2026-07-11T21:14:51,135 Created temporary directory: /tmp/pip-ephem-wheel-cache-ea6z8zpe 2026-07-11T21:14:51,137 Created temporary directory: /tmp/pip-build-tracker-0b5p0wl7 2026-07-11T21:14:51,138 Initialized build tracking at /tmp/pip-build-tracker-0b5p0wl7 2026-07-11T21:14:51,138 Created build tracker: /tmp/pip-build-tracker-0b5p0wl7 2026-07-11T21:14:51,139 Entered build tracker: /tmp/pip-build-tracker-0b5p0wl7 2026-07-11T21:14:51,140 Created temporary directory: /tmp/pip-wheel-j1vu5vy6 2026-07-11T21:14:51,143 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-07-11T21:14:51,145 Created temporary directory: /tmp/pip-ephem-wheel-cache-19b1ehgl 2026-07-11T21:14:51,167 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-07-11T21:14:51,170 2 location(s) to search for versions of openbabel: 2026-07-11T21:14:51,170 * https://pypi.org/simple/openbabel/ 2026-07-11T21:14:51,170 * https://www.piwheels.org/simple/openbabel/ 2026-07-11T21:14:51,171 Fetching project page and analyzing links: https://pypi.org/simple/openbabel/ 2026-07-11T21:14:51,172 Getting page https://pypi.org/simple/openbabel/ 2026-07-11T21:14:51,173 Found index url https://pypi.org/simple 2026-07-11T21:14:51,507 Fetched page https://pypi.org/simple/openbabel/ as application/vnd.pypi.simple.v1+json 2026-07-11T21:14:51,526 Found link https://files.pythonhosted.org/packages/12/52/bb5e38737d41df09d11818031aa8de58620cd2689e872c9d3127d9eb9e37/openbabel-1.8.tar.gz (from 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2026-07-11T21:14:51,530 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/5a/37/942e55a00f80f2ebdab4c78c83f11445e1f98bf8914a28f3af195eab9a89/openbabel-2.4.0-cp27-cp27m-win32.whl (from https://pypi.org/simple/openbabel/) 2026-07-11T21:14:51,530 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/5a/1d/d88ae45ac4216ebc96ad06d9f38dc5d697265d818ab056f5586cb1625d85/openbabel-2.4.0-cp27-cp27m-win_amd64.whl (from https://pypi.org/simple/openbabel/) 2026-07-11T21:14:51,531 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/0c/51/4708c4f562a64f7348becd2b72e1dcdc79a8a3ffd05f042bc8a999228549/openbabel-2.4.0-cp34-cp34m-win32.whl (from https://pypi.org/simple/openbabel/) 2026-07-11T21:14:51,532 Skipping link: No binaries permitted for openbabel: 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https://files.pythonhosted.org/packages/ec/90/513265cf92cc3efb9153a0dded1c690ff88f268f60fe1520f8737e39bc2f/openbabel-3.2.1-cp311-cp311-macosx_10_9_x86_64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:51,579 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/74/19/58ba38dfe7871fb1d72eee3e2f7d4048b18362474e19b07be6ef6c1ab21d/openbabel-3.2.1-cp311-cp311-macosx_11_0_arm64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:51,580 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/4f/2c/7409180a699634a1f25082cb0c8426137c1512fbfe7881a1d06ee1d8f1c4/openbabel-3.2.1-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:51,580 Skipping link: No binaries permitted for openbabel: 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2026-07-11T21:14:51,594 Found index url https://www.piwheels.org/simple 2026-07-11T21:14:52,103 Fetched page https://www.piwheels.org/simple/openbabel/ as text/html 2026-07-11T21:14:52,106 Skipping link: No binaries permitted for openbabel: https://archive1.piwheels.org/simple/openbabel/openbabel-3.2.0-cp311-cp311-linux_armv6l.whl#sha256=d7e87fb68f9d63559cf9e88b9f9a8990a30f1d2effda0dee531f11b880ffb051 (from https://www.piwheels.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:52,107 Skipping link: No binaries permitted for openbabel: https://archive1.piwheels.org/simple/openbabel/openbabel-3.2.0-cp311-cp311-linux_armv7l.whl#sha256=d7e87fb68f9d63559cf9e88b9f9a8990a30f1d2effda0dee531f11b880ffb051 (from https://www.piwheels.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:52,107 Skipping link: No binaries permitted for openbabel: https://archive1.piwheels.org/simple/openbabel/openbabel-3.2.0-cp313-cp313-linux_armv6l.whl#sha256=ad780d8db29b8bd22120f3c94bea6253d8bff4d0203b774d0df88406aeeef87e (from https://www.piwheels.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:52,108 Skipping link: No binaries permitted for openbabel: https://archive1.piwheels.org/simple/openbabel/openbabel-3.2.0-cp313-cp313-linux_armv7l.whl#sha256=ad780d8db29b8bd22120f3c94bea6253d8bff4d0203b774d0df88406aeeef87e (from https://www.piwheels.org/simple/openbabel/) (requires-python:>=3.10) 2026-07-11T21:14:52,108 Skipping link: not a file: https://www.piwheels.org/simple/openbabel/ 2026-07-11T21:14:52,109 Skipping link: not a file: https://pypi.org/simple/openbabel/ 2026-07-11T21:14:52,130 Given no hashes to check 1 links for project 'openbabel': discarding no candidates 2026-07-11T21:14:52,149 Collecting openbabel==3.2.1 2026-07-11T21:14:52,151 Created temporary directory: /tmp/pip-unpack-bx8b_ikx 2026-07-11T21:14:52,475 Downloading openbabel-3.2.1.tar.gz (36.5 MB) 2026-07-11T21:16:01,905 Added openbabel==3.2.1 from https://files.pythonhosted.org/packages/03/ee/946ca33e35e47fc634d9f62f6a74505318a651de720495ae42c6307551e7/openbabel-3.2.1.tar.gz to build tracker '/tmp/pip-build-tracker-0b5p0wl7' 2026-07-11T21:16:01,913 Created temporary directory: /tmp/pip-build-env-yv9ycce3 2026-07-11T21:16:01,919 Installing build dependencies: started 2026-07-11T21:16:01,920 Running command pip subprocess to install build dependencies 2026-07-11T21:16:03,195 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-07-11T21:16:03,728 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-07-11T21:16:03,755 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-07-11T21:16:04,517 Collecting scikit-build-core>=0.11 2026-07-11T21:16:04,519 Obtaining dependency information for scikit-build-core>=0.11 from https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-1.0.2-py3-none-any.whl.metadata 2026-07-11T21:16:04,535 Using cached https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-1.0.2-py3-none-any.whl.metadata (17 kB) 2026-07-11T21:16:04,548 Discarding https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-1.0.2-py3-none-any.whl#sha256=34110781a8686c4ceedc4f4bd0217bdfddc1e016c7e898ef10f2c1086404de9d (from https://www.piwheels.org/simple/scikit-build-core/) (requires-python:>=3.8): Requested scikit-build-core>=0.11 from https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-1.0.2-py3-none-any.whl#sha256=34110781a8686c4ceedc4f4bd0217bdfddc1e016c7e898ef10f2c1086404de9d has inconsistent Name: expected 'scikit-build-core', but metadata has 'scikit_build_core' 2026-07-11T21:16:04,577 Using cached scikit_build_core-1.0.2-py3-none-any.whl (275 kB) 2026-07-11T21:16:04,938 Collecting setuptools-scm 2026-07-11T21:16:04,939 Obtaining dependency information for setuptools-scm from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl.metadata 2026-07-11T21:16:04,953 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl.metadata (6.6 kB) 2026-07-11T21:16:05,360 Collecting swig 2026-07-11T21:16:05,617 Downloading swig-4.4.1-py3-none-manylinux_2_24_armv7l.manylinux_2_31_armv7l.whl (1.9 MB) 2026-07-11T21:16:05,919 ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.9/1.9 MB 6.5 MB/s eta 0:00:00 2026-07-11T21:16:06,241 Collecting cmeel-eigen 2026-07-11T21:16:06,242 Obtaining dependency information for cmeel-eigen from https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl.metadata 2026-07-11T21:16:06,570 Downloading https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl.metadata (867 bytes) 2026-07-11T21:16:06,813 Collecting packaging>=23.2 2026-07-11T21:16:06,814 Obtaining dependency information for packaging>=23.2 from https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata 2026-07-11T21:16:06,828 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata (3.5 kB) 2026-07-11T21:16:06,949 Collecting pathspec>=0.12.0 2026-07-11T21:16:06,950 Obtaining dependency information for pathspec>=0.12.0 from https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl.metadata 2026-07-11T21:16:06,964 Using cached https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl.metadata (14 kB) 2026-07-11T21:16:07,069 Collecting vcs-versioning<3,>=2.0.0.dev0 2026-07-11T21:16:07,071 Obtaining dependency information for vcs-versioning<3,>=2.0.0.dev0 from https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl.metadata 2026-07-11T21:16:07,084 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl.metadata (1.7 kB) 2026-07-11T21:16:08,559 Collecting setuptools 2026-07-11T21:16:08,559 Obtaining dependency information for setuptools from https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl.metadata 2026-07-11T21:16:08,573 Using cached https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl.metadata (6.6 kB) 2026-07-11T21:16:08,940 Collecting cmeel 2026-07-11T21:16:08,941 Obtaining dependency information for cmeel from https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl.metadata 2026-07-11T21:16:09,281 Downloading https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl.metadata (4.8 kB) 2026-07-11T21:16:09,586 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl (27 kB) 2026-07-11T21:16:09,605 Downloading https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl (4.0 MB) 2026-07-11T21:16:09,964 ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.0/4.0 MB 11.5 MB/s eta 0:00:00 2026-07-11T21:16:10,034 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-07-11T21:16:10,054 Using cached https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl (57 kB) 2026-07-11T21:16:10,077 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl (108 kB) 2026-07-11T21:16:10,107 Downloading https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl (20 kB) 2026-07-11T21:16:10,212 Using cached https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl (1.0 MB) 2026-07-11T21:16:10,248 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.2.0-py3-none-any.whl (27 kB) 2026-07-11T21:16:10,551 Using cached https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl (4.0 MB) 2026-07-11T21:16:10,693 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-07-11T21:16:10,718 Using cached https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl (57 kB) 2026-07-11T21:16:10,747 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-2.2.2-py3-none-any.whl (108 kB) 2026-07-11T21:16:10,773 Using cached https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl (20 kB) 2026-07-11T21:16:10,894 Using cached https://www.piwheels.org/simple/setuptools/setuptools-83.0.0-py3-none-any.whl (1.0 MB) 2026-07-11T21:16:13,749 Installing collected packages: swig, setuptools, pathspec, packaging, cmeel, vcs-versioning, scikit-build-core, cmeel-eigen, setuptools-scm 2026-07-11T21:16:15,116 Creating /tmp/pip-build-env-yv9ycce3/overlay/local/bin 2026-07-11T21:16:15,118 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/swig to 755 2026-07-11T21:16:15,120 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/swig4.0 to 755 2026-07-11T21:16:18,814 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/cmeel to 755 2026-07-11T21:16:19,216 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/vcs-versioning to 755 2026-07-11T21:16:20,039 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/scikit-build to 755 2026-07-11T21:16:20,041 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/scikit-build-core to 755 2026-07-11T21:16:21,512 changing mode of /tmp/pip-build-env-yv9ycce3/overlay/local/bin/setuptools-scm to 755 2026-07-11T21:16:21,629 Successfully installed cmeel-0.60.1 cmeel-eigen-3.4.1 packaging-26.2 pathspec-1.1.1 scikit-build-core-1.0.2 setuptools-83.0.0 setuptools-scm-10.2.0 swig-4.4.1 vcs-versioning-2.2.2 2026-07-11T21:16:21,981 Installing build dependencies: finished with status 'done' 2026-07-11T21:16:21,989 Getting requirements to build wheel: started 2026-07-11T21:16:21,990 Running command Getting requirements to build wheel 2026-07-11T21:16:22,688 Getting requirements to build wheel: finished with status 'done' 2026-07-11T21:16:22,698 Created temporary directory: /tmp/pip-modern-metadata-m69xcq_7 2026-07-11T21:16:22,700 Preparing metadata (pyproject.toml): started 2026-07-11T21:16:22,701 Running command Preparing metadata (pyproject.toml) 2026-07-11T21:16:23,565 *** scikit-build-core 1.0.2 using CMake 3.25.1 (metadata_wheel) 2026-07-11T21:16:23,689 Preparing metadata (pyproject.toml): finished with status 'done' 2026-07-11T21:16:23,694 Source in /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d has version 3.2.1, which satisfies requirement openbabel==3.2.1 from https://files.pythonhosted.org/packages/03/ee/946ca33e35e47fc634d9f62f6a74505318a651de720495ae42c6307551e7/openbabel-3.2.1.tar.gz 2026-07-11T21:16:23,695 Removed openbabel==3.2.1 from https://files.pythonhosted.org/packages/03/ee/946ca33e35e47fc634d9f62f6a74505318a651de720495ae42c6307551e7/openbabel-3.2.1.tar.gz from build tracker '/tmp/pip-build-tracker-0b5p0wl7' 2026-07-11T21:16:23,700 Created temporary directory: /tmp/pip-unpack-eobwh8kk 2026-07-11T21:16:23,701 Building wheels for collected packages: openbabel 2026-07-11T21:16:23,705 Created temporary directory: /tmp/pip-wheel-po8i8hy1 2026-07-11T21:16:23,706 Destination directory: /tmp/pip-wheel-po8i8hy1 2026-07-11T21:16:23,708 Building wheel for openbabel (pyproject.toml): started 2026-07-11T21:16:23,709 Running command Building wheel for openbabel (pyproject.toml) 2026-07-11T21:16:24,510 *** scikit-build-core 1.0.2 using CMake 3.25.1 (wheel) 2026-07-11T21:16:24,534 *** Configuring CMake... 2026-07-11T21:16:24,639 loading initial cache file /tmp/tmplawev7t1/build/CMakeInit.txt 2026-07-11T21:16:24,914 -- The C compiler identification is GNU 12.2.0 2026-07-11T21:16:25,224 -- The CXX compiler identification is GNU 12.2.0 2026-07-11T21:16:25,292 -- Detecting C compiler ABI info 2026-07-11T21:16:25,566 -- Detecting C compiler ABI info - done 2026-07-11T21:16:25,604 -- Check for working C compiler: /usr/bin/arm-linux-gnueabihf-gcc - skipped 2026-07-11T21:16:25,606 -- Detecting C compile features 2026-07-11T21:16:25,608 -- Detecting C compile features - done 2026-07-11T21:16:25,627 -- Detecting CXX compiler ABI info 2026-07-11T21:16:25,952 -- Detecting CXX compiler ABI info - done 2026-07-11T21:16:25,991 -- Check for working CXX compiler: /usr/bin/arm-linux-gnueabihf-g++ - skipped 2026-07-11T21:16:25,993 -- Detecting CXX compile features 2026-07-11T21:16:25,995 -- Detecting CXX compile features - done 2026-07-11T21:16:26,015 -- Using included inchi library. 2026-07-11T21:16:26,258 -- Found LibXml2: /usr/lib/arm-linux-gnueabihf/libxml2.so (found version "2.9.14") 2026-07-11T21:16:26,343 -- Found ZLIB: /usr/lib/arm-linux-gnueabihf/libz.so (found version "1.2.13") 2026-07-11T21:16:26,358 -- Looking for conio.h 2026-07-11T21:16:26,501 -- Looking for conio.h - not found 2026-07-11T21:16:26,502 -- Looking for sys/time.h 2026-07-11T21:16:26,774 -- Looking for sys/time.h - found 2026-07-11T21:16:26,776 -- Looking for time.h 2026-07-11T21:16:27,051 -- Looking for time.h - found 2026-07-11T21:16:27,053 -- Looking for strings.h 2026-07-11T21:16:27,376 -- Looking for strings.h - found 2026-07-11T21:16:27,377 -- Looking for regex.h 2026-07-11T21:16:27,670 -- Looking for regex.h - found 2026-07-11T21:16:27,672 -- Looking for C++ include sstream 2026-07-11T21:16:28,930 -- Looking for C++ include sstream - found 2026-07-11T21:16:28,931 -- Looking for rint 2026-07-11T21:16:29,236 -- Looking for rint - not found 2026-07-11T21:16:29,237 -- Looking for snprintf 2026-07-11T21:16:29,517 -- Looking for snprintf - found 2026-07-11T21:16:29,518 -- Looking for sranddev 2026-07-11T21:16:29,695 -- Looking for sranddev - not found 2026-07-11T21:16:29,697 -- Looking for strcasecmp 2026-07-11T21:16:29,975 -- Looking for strcasecmp - found 2026-07-11T21:16:29,977 -- Looking for strncasecmp 2026-07-11T21:16:30,284 -- Looking for strncasecmp - found 2026-07-11T21:16:30,287 -- Looking for xdrstdio_create 2026-07-11T21:16:30,432 -- Looking for xdrstdio_create - not found 2026-07-11T21:16:30,434 -- Looking for dlopen in dl 2026-07-11T21:16:30,708 -- Looking for dlopen in dl - found 2026-07-11T21:16:30,710 -- Looking for sys/types.h 2026-07-11T21:16:30,994 -- Looking for sys/types.h - found 2026-07-11T21:16:30,996 -- Looking for stdint.h 2026-07-11T21:16:31,330 -- Looking for stdint.h - found 2026-07-11T21:16:31,332 -- Looking for stddef.h 2026-07-11T21:16:31,592 -- Looking for stddef.h - found 2026-07-11T21:16:31,594 -- Check size of clock_t 2026-07-11T21:16:31,885 -- Check size of clock_t - done 2026-07-11T21:16:31,887 -- Performing Test SCANDIR_NEEDS_CONST 2026-07-11T21:16:32,126 -- Performing Test SCANDIR_NEEDS_CONST - Failed 2026-07-11T21:16:32,131 -- Performing Test HAVE_GCC_VISIBILITY 2026-07-11T21:16:32,478 -- Performing Test HAVE_GCC_VISIBILITY - Success 2026-07-11T21:16:32,487 Using built-in specs. 2026-07-11T21:16:32,488 COLLECT_GCC=/usr/bin/arm-linux-gnueabihf-gcc 2026-07-11T21:16:32,489 COLLECT_LTO_WRAPPER=/usr/lib/gcc/arm-linux-gnueabihf/12/lto-wrapper 2026-07-11T21:16:32,489 Target: arm-linux-gnueabihf 2026-07-11T21:16:32,489 Configured with: ../src/configure -v --with-pkgversion='Raspbian 12.2.0-14+rpi1+deb12u1' --with-bugurl=file:///usr/share/doc/gcc-12/README.Bugs --enable-languages=c,ada,c++,go,d,fortran,objc,obj-c++,m2 --prefix=/usr --with-gcc-major-version-only --program-suffix=-12 --program-prefix=arm-linux-gnueabihf- --enable-shared --enable-linker-build-id --libexecdir=/usr/lib --without-included-gettext --enable-threads=posix --libdir=/usr/lib --enable-nls --enable-clocale=gnu --enable-libstdcxx-debug --enable-libstdcxx-time=yes --with-default-libstdcxx-abi=new --enable-gnu-unique-object --disable-libitm --disable-libquadmath --disable-libquadmath-support --enable-plugin --with-system-zlib --enable-libphobos-checking=release --with-target-system-zlib=auto --enable-objc-gc=auto --enable-multiarch --disable-sjlj-exceptions --with-arch=armv6+fp --with-float=hard --disable-werror --enable-checking=release --build=arm-linux-gnueabihf --host=arm-linux-gnueabihf --target=arm-linux-gnueabihf 2026-07-11T21:16:32,490 Thread model: posix 2026-07-11T21:16:32,491 Supported LTO compression algorithms: zlib zstd 2026-07-11T21:16:32,491 gcc version 12.2.0 (Raspbian 12.2.0-14+rpi1+deb12u1) 2026-07-11T21:16:32,604 -- Could NOT find Boost: missing: program_options iostreams (found /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0")) 2026-07-11T21:16:34,165 -- Found Python: /usr/bin/python3 (found version "3.11.2") found components: Interpreter 2026-07-11T21:16:34,604 -- Could NOT find Boost: missing: filesystem iostreams unit_test_framework (found /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0")) 2026-07-11T21:16:34,606 -- Maestro formats will NOT be supported. Please install Boost to enable Maestro formats. 2026-07-11T21:16:34,607 -- Coordinate generation with Coordgen will NOT be supported. Please install Boost to enable Maestro formats. 2026-07-11T21:16:34,623 -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") 2026-07-11T21:16:34,803 -- Could NOT find RapidJSON (missing: RAPIDJSON_INCLUDE_DIRS) (Required is at least version "1.1.0") 2026-07-11T21:16:35,775 -- Downloaded RapidJSON to /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/external/rapidjson-7c73dd7de7c4f14379b781418c6e947ad464c818. 2026-07-11T21:16:35,776 -- JSON formats will be supported. Using RapidJSON 7c73dd7de7c4f14379b781418c6e947ad464c818 at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/external/rapidjson-7c73dd7de7c4f14379b781418c6e947ad464c818/include 2026-07-11T21:16:35,777 -- Skipping Cairo for wheel builds. Set BUILD_WHEEL_CAIRO=ON to enable PNG output support. 2026-07-11T21:16:35,778 -- Could NOT find Cairo. PNG output will NOT be supported. 2026-07-11T21:16:35,835 -- Found Perl: /usr/bin/perl (found version "5.36.0") 2026-07-11T21:16:35,908 -- Could NOT find Boost: missing: system (found /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found suitable version "1.74.0", minimum required is "1.45.0")) 2026-07-11T21:16:35,920 -- Performing Test CMAKE_HAVE_LIBC_PTHREAD 2026-07-11T21:16:36,253 -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success 2026-07-11T21:16:36,258 -- Found Threads: TRUE 2026-07-11T21:16:36,404 -- Could NOT find Boost: missing: program_options iostreams (found /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0")) 2026-07-11T21:16:36,408 -- Looking for getopt 2026-07-11T21:16:36,705 -- Looking for getopt - found 2026-07-11T21:16:36,713 -- GUI will not be built 2026-07-11T21:16:37,054 -- Found SWIG: /tmp/pip-build-env-yv9ycce3/overlay/local/bin/swig4.0 (found suitable version "4.4.1", minimum required is "2.0") 2026-07-11T21:16:37,198 -- Found Python: /usr/bin/python3 (found version "3.11.2") found components: Interpreter Development.Module 2026-07-11T21:16:37,199 -- Python bindings will be compiled 2026-07-11T21:16:37,244 -- Configuring done 2026-07-11T21:16:38,950 -- Generating done 2026-07-11T21:16:39,586 -- Build files have been written to: /tmp/tmplawev7t1/build 2026-07-11T21:16:40,020 *** Building project with Ninja... 2026-07-11T21:16:40,276 [1/480] Generating atomtyp.h 2026-07-11T21:16:40,279 [2/480] Generating ringtyp.h 2026-07-11T21:16:40,284 [3/480] Generating bondtyp.h 2026-07-11T21:16:40,306 [4/480] Generating phmodeldata.h 2026-07-11T21:16:40,421 [5/480] Generating resdata.h 2026-07-11T21:16:40,485 [6/480] Generating types.h 2026-07-11T21:16:40,486 [7/480] Generating torlib.h 2026-07-11T21:16:41,927 [8/480] Generating spacegroups.h 2026-07-11T21:16:42,021 [9/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichi_io.c.o 2026-07-11T21:16:42,408 [10/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichierr.c.o 2026-07-11T21:16:42,846 [11/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiisot.c.o 2026-07-11T21:16:45,902 [12/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicano.c.o 2026-07-11T21:16:46,110 [13/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimak2.c.o 2026-07-11T21:16:46,824 [14/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicans.c.o 2026-07-11T21:16:48,920 [15/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap1.c.o 2026-07-11T21:16:49,762 [16/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichican2.c.o 2026-07-11T21:16:52,177 [17/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap2.c.o 2026-07-11T21:16:53,248 [18/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap4.c.o 2026-07-11T21:16:53,735 [19/480] Generating atomizationenergies.h 2026-07-11T21:16:53,885 [20/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimake.c.o 2026-07-11T21:16:54,541 [21/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiparm.c.o 2026-07-11T21:16:56,353 [22/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichi_bns.c.o 2026-07-11T21:16:58,910 [23/480] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o 2026-07-11T21:17:03,863 [24/480] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.cpp.o 2026-07-11T21:17:06,947 [25/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt1.c.o 2026-07-11T21:17:07,656 [26/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichinorm.c.o 2026-07-11T21:17:08,065 [27/480] Building CXX object src/CMakeFiles/openbabel.dir/bond.cpp.o 2026-07-11T21:17:08,066 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:17:08,067 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:17:08,068 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bond.cpp:24: 2026-07-11T21:17:08,068 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:17:08,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,070 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:08,071 | ^ 2026-07-11T21:17:08,072 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,073 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,077 | ^~~~~~~~~ 2026-07-11T21:17:08,077 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,078 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:08,079 | ^ 2026-07-11T21:17:08,080 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,081 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,082 | ^~~~~~~~~ 2026-07-11T21:17:08,083 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,084 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:08,085 | ^ 2026-07-11T21:17:08,085 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,086 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,087 | ^~~~~~~~~ 2026-07-11T21:17:08,089 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,092 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:08,093 | ^ 2026-07-11T21:17:08,094 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,095 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,096 | ^~~~~~~~~ 2026-07-11T21:17:08,097 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:17:08,098 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,100 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:08,101 | ^ 2026-07-11T21:17:08,102 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,103 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,105 | ^~~~~~~~~ 2026-07-11T21:17:08,105 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,107 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:08,108 | ^ 2026-07-11T21:17:08,109 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,110 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,112 | ^~~~~~~~~ 2026-07-11T21:17:08,113 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,114 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:08,117 | ^ 2026-07-11T21:17:08,119 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,123 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,124 | ^~~~~~~~~ 2026-07-11T21:17:08,125 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:08,126 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:08,127 | ^ 2026-07-11T21:17:08,127 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:08,128 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:08,129 | ^~~~~~~~~ 2026-07-11T21:17:08,130 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:08,132 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:17:08,133 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bond.cpp:25: 2026-07-11T21:17:08,135 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:08,136 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:08,138 281 | return ! ( (*this) == other ); 2026-07-11T21:17:08,138 | ^~~~~ 2026-07-11T21:17:08,139 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:08,140 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:08,143 | ^~~~~~~~ 2026-07-11T21:17:08,146 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bond.cpp: In constructor ‘OpenBabel::OBBond::OBBond()’: 2026-07-11T21:17:08,156 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bond.cpp:63:18: warning: ‘OpenBabel::OBBond::Visit’ is deprecated: Use OBBitVec objects instead to be fully thread-safe. [-Wdeprecated-declarations] 2026-07-11T21:17:08,156 63 | OBBond::OBBond() /*: d(new OBBondPrivate)*/ 2026-07-11T21:17:08,157 | ^ 2026-07-11T21:17:08,158 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:98:12: note: declared here 2026-07-11T21:17:08,159 98 | bool Visit; 2026-07-11T21:17:08,159 | ^~~~~ 2026-07-11T21:17:08,160 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bond.cpp:63:18: warning: ‘OpenBabel::OBBond::Visit’ is deprecated: Use OBBitVec objects instead to be fully thread-safe. [-Wdeprecated-declarations] 2026-07-11T21:17:08,161 63 | OBBond::OBBond() /*: d(new OBBondPrivate)*/ 2026-07-11T21:17:08,162 | ^ 2026-07-11T21:17:08,162 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:98:12: note: declared here 2026-07-11T21:17:08,163 98 | bool Visit; 2026-07-11T21:17:08,164 | ^~~~~ 2026-07-11T21:17:09,303 [28/480] Building CXX object src/CMakeFiles/openbabel.dir/atom.cpp.o 2026-07-11T21:17:09,304 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:09,306 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/atom.cpp:22: 2026-07-11T21:17:09,307 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:09,308 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:09,309 281 | return ! ( (*this) == other ); 2026-07-11T21:17:09,310 | ^~~~~ 2026-07-11T21:17:09,311 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:09,312 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:09,313 | ^~~~~~~~ 2026-07-11T21:17:09,314 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:17:09,315 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:17:09,316 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/atom.cpp:28: 2026-07-11T21:17:09,317 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:17:09,318 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,319 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:09,320 | ^ 2026-07-11T21:17:09,321 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,322 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,323 | ^~~~~~~~~ 2026-07-11T21:17:09,324 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,325 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:09,326 | ^ 2026-07-11T21:17:09,327 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,328 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,329 | ^~~~~~~~~ 2026-07-11T21:17:09,330 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,331 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:09,332 | ^ 2026-07-11T21:17:09,333 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,334 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,336 | ^~~~~~~~~ 2026-07-11T21:17:09,337 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,337 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:09,338 | ^ 2026-07-11T21:17:09,339 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,340 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,341 | ^~~~~~~~~ 2026-07-11T21:17:09,342 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:17:09,343 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,344 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:09,346 | ^ 2026-07-11T21:17:09,347 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,348 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,349 | ^~~~~~~~~ 2026-07-11T21:17:09,350 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,352 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:09,356 | ^ 2026-07-11T21:17:09,357 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,358 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,359 | ^~~~~~~~~ 2026-07-11T21:17:09,360 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,361 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:09,362 | ^ 2026-07-11T21:17:09,362 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,363 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,365 | ^~~~~~~~~ 2026-07-11T21:17:09,366 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:09,366 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:09,367 | ^ 2026-07-11T21:17:09,368 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:09,369 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:09,371 | ^~~~~~~~~ 2026-07-11T21:17:11,705 [29/480] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o 2026-07-11T21:17:11,706 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:17:11,707 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:17:11,708 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:17:11,708 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:17:11,709 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/alias.h:20, 2026-07-11T21:17:11,710 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/alias.cpp:19: 2026-07-11T21:17:11,711 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:11,712 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:11,713 281 | return ! ( (*this) == other ); 2026-07-11T21:17:11,714 | ^~~~~ 2026-07-11T21:17:11,715 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:11,716 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:11,717 | ^~~~~~~~ 2026-07-11T21:17:11,718 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/alias.cpp:27: 2026-07-11T21:17:11,719 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:17:11,719 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,720 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:11,721 | ^ 2026-07-11T21:17:11,722 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,723 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,724 | ^~~~~~~~~ 2026-07-11T21:17:11,725 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,726 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:11,727 | ^ 2026-07-11T21:17:11,728 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,729 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,730 | ^~~~~~~~~ 2026-07-11T21:17:11,731 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,732 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:11,733 | ^ 2026-07-11T21:17:11,734 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,735 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,736 | ^~~~~~~~~ 2026-07-11T21:17:11,737 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,738 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:11,739 | ^ 2026-07-11T21:17:11,740 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,741 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,743 | ^~~~~~~~~ 2026-07-11T21:17:11,743 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:17:11,744 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,745 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:11,746 | ^ 2026-07-11T21:17:11,756 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,758 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,759 | ^~~~~~~~~ 2026-07-11T21:17:11,760 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,761 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:11,762 | ^ 2026-07-11T21:17:11,765 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,766 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,767 | ^~~~~~~~~ 2026-07-11T21:17:11,767 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,768 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:11,770 | ^ 2026-07-11T21:17:11,771 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,772 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,773 | ^~~~~~~~~ 2026-07-11T21:17:11,774 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:11,775 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:11,776 | ^ 2026-07-11T21:17:11,777 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:11,778 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:11,779 | ^~~~~~~~~ 2026-07-11T21:17:13,234 [30/480] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.cpp.o 2026-07-11T21:17:13,235 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:13,237 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bondtyper.cpp:21: 2026-07-11T21:17:13,238 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:13,239 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:13,240 281 | return ! ( (*this) == other ); 2026-07-11T21:17:13,241 | ^~~~~ 2026-07-11T21:17:13,242 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:13,243 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:13,244 | ^~~~~~~~ 2026-07-11T21:17:13,245 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bondtyper.h:22, 2026-07-11T21:17:13,246 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/bondtyper.cpp:24: 2026-07-11T21:17:13,247 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:17:13,248 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,249 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:13,250 | ^ 2026-07-11T21:17:13,251 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,252 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,253 | ^~~~~~~~~ 2026-07-11T21:17:13,255 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,256 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:13,257 | ^ 2026-07-11T21:17:13,258 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,259 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,260 | ^~~~~~~~~ 2026-07-11T21:17:13,261 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,262 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:13,263 | ^ 2026-07-11T21:17:13,264 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,265 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,266 | ^~~~~~~~~ 2026-07-11T21:17:13,267 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,268 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:13,270 | ^ 2026-07-11T21:17:13,271 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,272 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,273 | ^~~~~~~~~ 2026-07-11T21:17:13,273 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:17:13,274 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,275 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:13,276 | ^ 2026-07-11T21:17:13,277 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,278 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,286 | ^~~~~~~~~ 2026-07-11T21:17:13,287 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,288 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:13,289 | ^ 2026-07-11T21:17:13,290 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,291 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,292 | ^~~~~~~~~ 2026-07-11T21:17:13,293 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,294 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:13,295 | ^ 2026-07-11T21:17:13,296 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,297 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,299 | ^~~~~~~~~ 2026-07-11T21:17:13,300 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:13,301 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:13,316 | ^ 2026-07-11T21:17:13,317 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:13,318 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:13,319 | ^~~~~~~~~ 2026-07-11T21:17:17,636 [31/480] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o 2026-07-11T21:17:17,637 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:17:17,638 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/chargemodel.cpp:21: 2026-07-11T21:17:17,639 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:17,640 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:17,641 281 | return ! ( (*this) == other ); 2026-07-11T21:17:17,642 | ^~~~~ 2026-07-11T21:17:17,643 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:17,643 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:17,644 | ^~~~~~~~ 2026-07-11T21:17:17,645 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:17:17,646 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:17:17,647 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:17:17,666 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:24: 2026-07-11T21:17:17,667 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:17:17,668 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:17:17,669 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:17:17,670 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:17,671 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:17,672 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:17:17,673 inlined from ‘void OpenBabel::OBChargeModel::FillChargeVectors(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/chargemodel.cpp:45:35: 2026-07-11T21:17:17,674 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:17,675 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:17:17,676 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:17,677 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:17,678 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:17:17,679 inlined from ‘void OpenBabel::OBChargeModel::FillChargeVectors(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/chargemodel.cpp:46:34: 2026-07-11T21:17:17,681 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:17,682 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:17:17,683 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:25,530 [32/480] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o 2026-07-11T21:17:25,531 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:17:25,532 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:17:25,532 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:17:25,533 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:17:25,534 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:30: 2026-07-11T21:17:25,535 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:25,536 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:25,536 281 | return ! ( (*this) == other ); 2026-07-11T21:17:25,537 | ^~~~~ 2026-07-11T21:17:25,538 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:25,539 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:25,540 | ^~~~~~~~ 2026-07-11T21:17:25,541 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:17:25,541 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/data_utilities.h:25, 2026-07-11T21:17:25,542 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:28: 2026-07-11T21:17:25,543 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:17:25,544 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:17:25,545 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:17:25,546 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:25,547 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:17:25,548 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:25,548 inlined from ‘bool OpenBabel::extract_thermochemistry(OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector&, double*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:188:26: 2026-07-11T21:17:25,549 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:25,550 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:25,551 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:25,552 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:25,553 inlined from ‘bool OpenBabel::extract_thermochemistry(OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector&, double*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:189:26: 2026-07-11T21:17:25,554 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:25,555 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:25,555 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:25,566 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:25,576 inlined from ‘bool OpenBabel::extract_thermochemistry(OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector&, double*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:190:26: 2026-07-11T21:17:25,576 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:25,577 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:25,578 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:25,579 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:25,580 inlined from ‘bool OpenBabel::extract_thermochemistry(OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector&, double*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:191:26: 2026-07-11T21:17:25,581 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:25,582 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:25,583 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:25,584 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:25,585 inlined from ‘bool OpenBabel::extract_thermochemistry(OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector&, double*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data_utilities.cpp:192:26: 2026-07-11T21:17:25,586 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:25,587 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:25,588 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:25,994 [33/480] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o 2026-07-11T21:17:25,995 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:25,996 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/chains.cpp:34: 2026-07-11T21:17:25,997 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:25,998 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:25,999 281 | return ! ( (*this) == other ); 2026-07-11T21:17:25,999 | ^~~~~ 2026-07-11T21:17:26,000 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:26,001 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:26,002 | ^~~~~~~~ 2026-07-11T21:17:31,074 [34/480] Building CXX object src/CMakeFiles/openbabel.dir/macrocycle.cpp.o 2026-07-11T21:17:31,074 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/macrocycle.cpp:20: 2026-07-11T21:17:31,075 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:31,076 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:31,077 281 | return ! ( (*this) == other ); 2026-07-11T21:17:31,078 | ^~~~~ 2026-07-11T21:17:31,079 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:31,080 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:31,081 | ^~~~~~~~ 2026-07-11T21:17:38,307 [35/480] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o 2026-07-11T21:17:38,307 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:38,308 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data.cpp:28: 2026-07-11T21:17:38,309 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:38,311 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:38,312 281 | return ! ( (*this) == other ); 2026-07-11T21:17:38,313 | ^~~~~ 2026-07-11T21:17:38,314 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:38,315 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:38,316 | ^~~~~~~~ 2026-07-11T21:17:38,317 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:17:38,318 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/data.h:28, 2026-07-11T21:17:38,320 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data.cpp:25: 2026-07-11T21:17:38,321 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBAtomHOF&}; _Tp = OpenBabel::OBAtomHOF; _Alloc = std::allocator]’: 2026-07-11T21:17:38,322 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:17:38,323 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:17:38,324 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:38,326 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:17:38,327 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBAtomHOF; _Alloc = std::allocator]’, 2026-07-11T21:17:38,328 inlined from ‘virtual void OpenBabel::OBAtomicHeatOfFormationTable::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/data.cpp:121:31: 2026-07-11T21:17:38,328 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:38,330 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:38,336 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:39,692 [36/480] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o 2026-07-11T21:17:39,693 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:17:39,694 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:17:39,695 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:17:39,696 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:17:39,698 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/descriptor.cpp:21: 2026-07-11T21:17:39,699 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:39,700 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:39,702 281 | return ! ( (*this) == other ); 2026-07-11T21:17:39,703 | ^~~~~ 2026-07-11T21:17:39,704 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:39,706 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:39,707 | ^~~~~~~~ 2026-07-11T21:17:41,912 [37/480] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o 2026-07-11T21:17:42,879 [38/480] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o 2026-07-11T21:17:44,172 [39/480] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o 2026-07-11T21:17:44,173 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:44,174 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/canon.cpp:25: 2026-07-11T21:17:44,175 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:44,177 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:44,178 281 | return ! ( (*this) == other ); 2026-07-11T21:17:44,179 | ^~~~~ 2026-07-11T21:17:44,180 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:44,181 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:44,182 | ^~~~~~~~ 2026-07-11T21:17:46,804 [40/480] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o 2026-07-11T21:17:48,961 [41/480] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o 2026-07-11T21:17:48,962 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:48,963 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/builder.cpp:29: 2026-07-11T21:17:48,964 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:48,965 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:48,966 281 | return ! ( (*this) == other ); 2026-07-11T21:17:48,967 | ^~~~~ 2026-07-11T21:17:48,968 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:48,969 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:48,970 | ^~~~~~~~ 2026-07-11T21:17:48,971 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:17:48,972 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:17:48,973 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/builder.cpp:33: 2026-07-11T21:17:48,974 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:17:48,975 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:48,976 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:48,978 | ^ 2026-07-11T21:17:48,979 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:48,980 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:48,981 | ^~~~~~~~~ 2026-07-11T21:17:48,982 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:48,984 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:48,985 | ^ 2026-07-11T21:17:48,986 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:48,987 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:48,989 | ^~~~~~~~~ 2026-07-11T21:17:48,990 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:48,991 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:48,993 | ^ 2026-07-11T21:17:48,994 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:48,995 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:48,996 | ^~~~~~~~~ 2026-07-11T21:17:49,006 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:49,007 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:49,007 | ^ 2026-07-11T21:17:49,008 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:49,009 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:49,010 | ^~~~~~~~~ 2026-07-11T21:17:49,011 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:17:49,012 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:49,013 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:49,014 | ^ 2026-07-11T21:17:49,015 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:49,016 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:49,017 | ^~~~~~~~~ 2026-07-11T21:17:49,018 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:49,019 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:49,020 | ^ 2026-07-11T21:17:49,022 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:49,023 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:49,024 | ^~~~~~~~~ 2026-07-11T21:17:49,025 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:49,027 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:49,028 | ^ 2026-07-11T21:17:49,029 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:49,030 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:49,031 | ^~~~~~~~~ 2026-07-11T21:17:49,033 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:49,034 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:49,035 | ^ 2026-07-11T21:17:49,036 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:49,037 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:49,038 | ^~~~~~~~~ 2026-07-11T21:17:49,046 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:17:49,047 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/builder.h:23, 2026-07-11T21:17:49,048 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/builder.cpp:22: 2026-07-11T21:17:49,049 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:17:49,050 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:17:49,055 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:17:49,056 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:49,057 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:17:49,058 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:17:49,066 inlined from ‘void OpenBabel::OBBuilder::LoadFragments()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/builder.cpp:150:25: 2026-07-11T21:17:49,067 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:49,074 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:49,075 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:49,076 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:17:49,077 inlined from ‘std::vector OpenBabel::OBBuilder::GetFragmentCoord(std::string)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/builder.cpp:198:25: 2026-07-11T21:17:49,079 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:49,080 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:49,081 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:49,082 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:17:49,083 inlined from ‘static void OpenBabel::OBBuilder::ConnectFrags(OpenBabel::OBMol&, OpenBabel::OBMol&, std::vector, std::vector, std::vector)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/builder.cpp:1642:26: 2026-07-11T21:17:49,084 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:49,085 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:17:49,087 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:17:51,342 [42/480] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o 2026-07-11T21:17:51,343 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:51,344 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp:23: 2026-07-11T21:17:51,345 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:51,346 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:51,347 281 | return ! ( (*this) == other ); 2026-07-11T21:17:51,347 | ^~~~~ 2026-07-11T21:17:51,348 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:51,349 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:51,350 | ^~~~~~~~ 2026-07-11T21:17:51,351 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp:24: 2026-07-11T21:17:51,352 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: 2026-07-11T21:17:51,353 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,354 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-07-11T21:17:51,355 | ^~~~~~~~~~~~~~ 2026-07-11T21:17:51,356 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,357 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,366 | ^~~~~ 2026-07-11T21:17:51,376 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,377 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-07-11T21:17:51,378 | ^~~~~~~~~~~~~~ 2026-07-11T21:17:51,379 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,380 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,381 | ^~~~~ 2026-07-11T21:17:51,382 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: 2026-07-11T21:17:51,383 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,384 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:51,386 | ^~~~~ 2026-07-11T21:17:51,387 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,388 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,389 | ^~~~~ 2026-07-11T21:17:51,390 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,391 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:51,393 | ^~~~~ 2026-07-11T21:17:51,394 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,394 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,395 | ^~~~~ 2026-07-11T21:17:51,396 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,398 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:51,399 | ^~~~~ 2026-07-11T21:17:51,400 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,401 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,402 | ^~~~~ 2026-07-11T21:17:51,416 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,417 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:51,418 | ^~~~~ 2026-07-11T21:17:51,421 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,422 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,423 | ^~~~~ 2026-07-11T21:17:51,424 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp: In member function ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’: 2026-07-11T21:17:51,431 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp:82:5: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,432 82 | _ival=nullptr; 2026-07-11T21:17:51,433 | ^~~~~ 2026-07-11T21:17:51,434 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,435 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,436 | ^~~~~ 2026-07-11T21:17:51,437 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp:82:5: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:51,438 82 | _ival=nullptr; 2026-07-11T21:17:51,440 | ^~~~~ 2026-07-11T21:17:51,441 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:51,442 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:51,456 | ^~~~~ 2026-07-11T21:17:51,466 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:17:51,467 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:17:51,468 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp:22: 2026-07-11T21:17:51,469 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_fill_insert(iterator, size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:17:51,470 /usr/include/c++/12/bits/vector.tcc:523:5: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:17:51,471 523 | vector<_Tp, _Alloc>:: 2026-07-11T21:17:51,473 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:51,474 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:17:51,475 In member function ‘void std::vector<_Tp, _Alloc>::resize(size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:17:51,476 inlined from ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/grid.cpp:86:19: 2026-07-11T21:17:51,476 /usr/include/c++/12/bits/stl_vector.h:1032:25: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:17:51,477 1032 | _M_fill_insert(end(), __new_size - size(), __x); 2026-07-11T21:17:51,478 | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:17:54,891 [43/480] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o 2026-07-11T21:17:54,892 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/griddata.h:26, 2026-07-11T21:17:54,893 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/griddata.cpp:25: 2026-07-11T21:17:54,894 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:54,895 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:54,896 281 | return ! ( (*this) == other ); 2026-07-11T21:17:54,897 | ^~~~~ 2026-07-11T21:17:54,898 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:54,899 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:54,901 | ^~~~~~~~ 2026-07-11T21:17:54,902 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/griddata.cpp:27: 2026-07-11T21:17:54,903 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: 2026-07-11T21:17:54,904 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:54,905 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-07-11T21:17:54,906 | ^~~~~~~~~~~~~~ 2026-07-11T21:17:54,907 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:54,908 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:54,909 | ^~~~~ 2026-07-11T21:17:54,910 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:54,911 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-07-11T21:17:54,912 | ^~~~~~~~~~~~~~ 2026-07-11T21:17:54,913 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:54,914 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:54,915 | ^~~~~ 2026-07-11T21:17:54,916 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: 2026-07-11T21:17:54,918 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:54,919 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:54,920 | ^~~~~ 2026-07-11T21:17:54,921 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:54,922 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:54,923 | ^~~~~ 2026-07-11T21:17:54,923 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:54,924 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:54,926 | ^~~~~ 2026-07-11T21:17:54,926 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:54,927 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:54,928 | ^~~~~ 2026-07-11T21:17:54,929 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:54,932 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:54,946 | ^~~~~ 2026-07-11T21:17:54,947 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:54,947 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:54,948 | ^~~~~ 2026-07-11T21:17:54,949 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:54,950 118 | if (_ival) delete [] _ival; 2026-07-11T21:17:54,951 | ^~~~~ 2026-07-11T21:17:54,952 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:17:54,953 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:17:54,954 | ^~~~~ 2026-07-11T21:17:54,955 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/griddata.cpp: In member function ‘void OpenBabel::OBGridData::GetOriginVector(double*) const’: 2026-07-11T21:17:54,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/griddata.cpp:194:24: warning: ‘void OpenBabel::OBFloatGrid::GetMin(double*)’ is deprecated: Use GetMin() instead [-Wdeprecated-declarations] 2026-07-11T21:17:54,957 194 | d->floatGrid.GetMin(o); 2026-07-11T21:17:54,958 | ~~~~~~~~~~~~~~~~~~~^~~ 2026-07-11T21:17:54,959 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:132:10: note: declared here 2026-07-11T21:17:54,960 132 | void GetMin(double *a) 2026-07-11T21:17:54,961 | ^~~~~~ 2026-07-11T21:17:54,962 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/griddata.cpp: In member function ‘void OpenBabel::OBGridData::SetLimits(const double*, const double*, const double*, const double*)’: 2026-07-11T21:17:54,963 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/griddata.cpp:235:27: warning: ‘void OpenBabel::OBFloatGrid::SetLimits(const double*, const double*, const double*, const double*)’ is deprecated: Use vector version instead [-Wdeprecated-declarations] 2026-07-11T21:17:54,964 235 | d->floatGrid.SetLimits(origin, x, y, z); 2026-07-11T21:17:54,966 | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:17:54,967 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:229:10: note: declared here 2026-07-11T21:17:54,968 229 | void SetLimits(const double origin[3], const double x[3], const double y[3], 2026-07-11T21:17:54,969 | ^~~~~~~~~ 2026-07-11T21:17:58,539 [44/480] Building CXX object src/CMakeFiles/openbabel.dir/locale.cpp.o 2026-07-11T21:17:58,733 [45/480] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o 2026-07-11T21:17:58,734 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:58,736 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/kekulize.cpp:22: 2026-07-11T21:17:58,737 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:58,738 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:58,739 281 | return ! ( (*this) == other ); 2026-07-11T21:17:58,740 | ^~~~~ 2026-07-11T21:17:58,741 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:58,741 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:58,757 | ^~~~~~~~ 2026-07-11T21:17:59,424 [46/480] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o 2026-07-11T21:17:59,425 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:17:59,426 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/graphsym.cpp:28: 2026-07-11T21:17:59,426 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:17:59,427 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:17:59,428 281 | return ! ( (*this) == other ); 2026-07-11T21:17:59,429 | ^~~~~ 2026-07-11T21:17:59,430 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:17:59,431 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:17:59,432 | ^~~~~~~~ 2026-07-11T21:17:59,433 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:17:59,434 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:17:59,435 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/graphsym.cpp:30: 2026-07-11T21:17:59,436 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:17:59,437 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,438 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:59,439 | ^ 2026-07-11T21:17:59,440 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,441 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,442 | ^~~~~~~~~ 2026-07-11T21:17:59,443 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,443 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:59,444 | ^ 2026-07-11T21:17:59,445 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,446 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,447 | ^~~~~~~~~ 2026-07-11T21:17:59,448 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,449 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:59,450 | ^ 2026-07-11T21:17:59,450 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,451 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,452 | ^~~~~~~~~ 2026-07-11T21:17:59,453 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,454 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:17:59,466 | ^ 2026-07-11T21:17:59,476 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,477 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,477 | ^~~~~~~~~ 2026-07-11T21:17:59,478 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:17:59,479 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,480 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:59,481 | ^ 2026-07-11T21:17:59,482 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,483 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,484 | ^~~~~~~~~ 2026-07-11T21:17:59,485 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,486 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:59,487 | ^ 2026-07-11T21:17:59,488 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,489 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,490 | ^~~~~~~~~ 2026-07-11T21:17:59,491 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,492 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:59,492 | ^ 2026-07-11T21:17:59,493 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,494 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,495 | ^~~~~~~~~ 2026-07-11T21:17:59,496 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:17:59,497 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:17:59,498 | ^ 2026-07-11T21:17:59,499 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:17:59,500 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:17:59,501 | ^~~~~~~~~ 2026-07-11T21:18:03,583 [47/480] Building CXX object src/CMakeFiles/openbabel.dir/matrix.cpp.o 2026-07-11T21:18:06,066 [48/480] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o 2026-07-11T21:18:06,067 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:06,068 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:26: 2026-07-11T21:18:06,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:06,070 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:06,071 281 | return ! ( (*this) == other ); 2026-07-11T21:18:06,072 | ^~~~~ 2026-07-11T21:18:06,073 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:06,074 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:06,075 | ^~~~~~~~ 2026-07-11T21:18:06,076 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:18:06,077 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:18:06,078 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:28: 2026-07-11T21:18:06,079 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:18:06,079 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,080 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:06,081 | ^ 2026-07-11T21:18:06,082 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,083 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,084 | ^~~~~~~~~ 2026-07-11T21:18:06,085 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,086 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:06,087 | ^ 2026-07-11T21:18:06,088 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,088 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,089 | ^~~~~~~~~ 2026-07-11T21:18:06,090 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,091 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:06,092 | ^ 2026-07-11T21:18:06,093 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,094 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,095 | ^~~~~~~~~ 2026-07-11T21:18:06,096 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,096 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:06,097 | ^ 2026-07-11T21:18:06,098 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,099 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,100 | ^~~~~~~~~ 2026-07-11T21:18:06,101 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:18:06,102 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,103 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:06,104 | ^ 2026-07-11T21:18:06,105 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,106 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,107 | ^~~~~~~~~ 2026-07-11T21:18:06,116 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,116 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:06,117 | ^ 2026-07-11T21:18:06,118 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,119 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,120 | ^~~~~~~~~ 2026-07-11T21:18:06,121 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,121 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:06,122 | ^ 2026-07-11T21:18:06,123 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,124 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,125 | ^~~~~~~~~ 2026-07-11T21:18:06,126 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:06,127 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:06,128 | ^ 2026-07-11T21:18:06,129 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:06,130 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:06,131 | ^~~~~~~~~ 2026-07-11T21:18:06,132 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:18:06,133 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:18:06,134 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:25: 2026-07-11T21:18:06,135 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBAngle&}; _Tp = OpenBabel::OBAngle; _Alloc = std::allocator]’: 2026-07-11T21:18:06,136 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:06,137 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:06,138 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:06,139 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:18:06,140 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBAngle; _Alloc = std::allocator]’, 2026-07-11T21:18:06,141 inlined from ‘void OpenBabel::OBAngleData::SetData(OpenBabel::OBAngle&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1061:22: 2026-07-11T21:18:06,142 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,143 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,143 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:06,144 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::triple&}; _Tp = OpenBabel::triple; _Alloc = std::allocator >]’: 2026-07-11T21:18:06,145 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:18:06,146 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:06,147 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:06,148 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::triple; _Alloc = std::allocator >]’, 2026-07-11T21:18:06,149 inlined from ‘bool OpenBabel::OBTorsion::AddTorsion(OpenBabel::quad&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1278:19: 2026-07-11T21:18:06,150 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:06,151 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,152 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:06,153 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::triple; _Alloc = std::allocator >]’, 2026-07-11T21:18:06,154 inlined from ‘OpenBabel::OBTorsion::OBTorsion(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1129:19: 2026-07-11T21:18:06,155 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:06,156 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,157 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:06,158 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::triple; _Alloc = std::allocator >]’, 2026-07-11T21:18:06,159 inlined from ‘bool OpenBabel::OBTorsion::AddTorsion(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1258:19: 2026-07-11T21:18:06,160 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:06,161 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,162 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:06,163 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBOrbital&}; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’: 2026-07-11T21:18:06,164 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:06,165 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:06,166 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:06,167 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:18:06,168 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:06,169 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:18:06,170 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:06,170 inlined from ‘std::vector OpenBabel::OBUnitCell::GetCellVectors() const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:334:16: 2026-07-11T21:18:06,171 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,172 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:06,173 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:06,186 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:18:06,187 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:06,188 inlined from ‘std::vector OpenBabel::OBUnitCell::GetCellVectors() const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:335:16: 2026-07-11T21:18:06,189 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,190 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:06,191 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:06,192 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:18:06,193 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:06,194 inlined from ‘std::vector OpenBabel::OBUnitCell::GetCellVectors() const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:336:16: 2026-07-11T21:18:06,195 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,196 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:06,196 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:06,197 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-07-11T21:18:06,198 inlined from ‘void OpenBabel::OBOrbitalData::LoadClosedShellOrbitals(std::vector, std::vector >, unsigned int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1411:33: 2026-07-11T21:18:06,199 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,200 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,201 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:06,202 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-07-11T21:18:06,203 inlined from ‘void OpenBabel::OBOrbitalData::LoadBetaOrbitals(std::vector, std::vector >, unsigned int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1469:32: 2026-07-11T21:18:06,204 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,205 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,206 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:06,207 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-07-11T21:18:06,208 inlined from ‘void OpenBabel::OBOrbitalData::LoadAlphaOrbitals(std::vector, std::vector >, unsigned int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/generic.cpp:1440:33: 2026-07-11T21:18:06,209 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:06,210 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:06,211 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:07,791 [49/480] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o 2026-07-11T21:18:07,792 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:07,793 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/molchrg.cpp:22: 2026-07-11T21:18:07,794 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:07,795 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:07,797 281 | return ! ( (*this) == other ); 2026-07-11T21:18:07,798 | ^~~~~ 2026-07-11T21:18:07,799 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:07,799 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:07,800 | ^~~~~~~~ 2026-07-11T21:18:08,589 [50/480] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.cpp.o 2026-07-11T21:18:08,590 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:08,591 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:26, 2026-07-11T21:18:08,592 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/isomorphism.cpp:3: 2026-07-11T21:18:08,592 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:08,593 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:08,594 281 | return ! ( (*this) == other ); 2026-07-11T21:18:08,595 | ^~~~~ 2026-07-11T21:18:08,596 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:08,597 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:08,598 | ^~~~~~~~ 2026-07-11T21:18:14,599 [51/480] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o 2026-07-11T21:18:16,321 [52/480] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o 2026-07-11T21:18:16,322 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:16,323 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obfunctions.h:22, 2026-07-11T21:18:16,324 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/obfunctions.cpp:17: 2026-07-11T21:18:16,325 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:16,326 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:16,327 281 | return ! ( (*this) == other ); 2026-07-11T21:18:16,328 | ^~~~~ 2026-07-11T21:18:16,329 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:16,330 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:16,331 | ^~~~~~~~ 2026-07-11T21:18:25,753 [53/480] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o 2026-07-11T21:18:25,753 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:18:25,754 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/obutil.cpp:21: 2026-07-11T21:18:25,755 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:25,757 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:25,758 281 | return ! ( (*this) == other ); 2026-07-11T21:18:25,758 | ^~~~~ 2026-07-11T21:18:25,759 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:25,760 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:25,761 | ^~~~~~~~ 2026-07-11T21:18:26,459 [54/480] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o 2026-07-11T21:18:26,460 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:26,461 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:18:26,462 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:24: 2026-07-11T21:18:26,463 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:26,463 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:26,465 281 | return ! ( (*this) == other ); 2026-07-11T21:18:26,465 | ^~~~~ 2026-07-11T21:18:26,466 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:26,467 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:26,468 | ^~~~~~~~ 2026-07-11T21:18:26,469 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:18:26,470 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:18:26,471 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:29: 2026-07-11T21:18:26,472 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:18:26,473 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,474 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:26,475 | ^ 2026-07-11T21:18:26,476 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,477 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,478 | ^~~~~~~~~ 2026-07-11T21:18:26,479 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,480 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:26,481 | ^ 2026-07-11T21:18:26,482 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,483 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,484 | ^~~~~~~~~ 2026-07-11T21:18:26,485 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,486 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:26,487 | ^ 2026-07-11T21:18:26,488 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,488 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,489 | ^~~~~~~~~ 2026-07-11T21:18:26,490 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,491 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:26,492 | ^ 2026-07-11T21:18:26,493 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,494 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,495 | ^~~~~~~~~ 2026-07-11T21:18:26,506 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:18:26,507 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,508 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:26,509 | ^ 2026-07-11T21:18:26,510 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,513 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,514 | ^~~~~~~~~ 2026-07-11T21:18:26,515 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,516 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:26,517 | ^ 2026-07-11T21:18:26,518 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,519 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,520 | ^~~~~~~~~ 2026-07-11T21:18:26,522 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,522 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:26,523 | ^ 2026-07-11T21:18:26,524 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,525 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,526 | ^~~~~~~~~ 2026-07-11T21:18:26,527 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,528 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:26,529 | ^ 2026-07-11T21:18:26,530 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:26,530 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:26,531 | ^~~~~~~~~ 2026-07-11T21:18:26,532 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:34: 2026-07-11T21:18:26,533 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: 2026-07-11T21:18:26,534 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,536 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-07-11T21:18:26,537 | ^~~~~~~~~~~~~~ 2026-07-11T21:18:26,537 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:18:26,538 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:18:26,539 | ^~~~~ 2026-07-11T21:18:26,540 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,541 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-07-11T21:18:26,542 | ^~~~~~~~~~~~~~ 2026-07-11T21:18:26,543 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:18:26,544 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:18:26,544 | ^~~~~ 2026-07-11T21:18:26,545 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: 2026-07-11T21:18:26,546 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,547 118 | if (_ival) delete [] _ival; 2026-07-11T21:18:26,548 | ^~~~~ 2026-07-11T21:18:26,550 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:18:26,551 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:18:26,552 | ^~~~~ 2026-07-11T21:18:26,553 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,554 118 | if (_ival) delete [] _ival; 2026-07-11T21:18:26,566 | ^~~~~ 2026-07-11T21:18:26,566 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:18:26,567 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:18:26,568 | ^~~~~ 2026-07-11T21:18:26,569 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,570 118 | if (_ival) delete [] _ival; 2026-07-11T21:18:26,571 | ^~~~~ 2026-07-11T21:18:26,572 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:18:26,573 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:18:26,574 | ^~~~~ 2026-07-11T21:18:26,575 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,576 118 | if (_ival) delete [] _ival; 2026-07-11T21:18:26,576 | ^~~~~ 2026-07-11T21:18:26,577 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/grid.h:105:26: note: declared here 2026-07-11T21:18:26,578 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-07-11T21:18:26,579 | ^~~~~ 2026-07-11T21:18:26,580 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintEnergy()’: 2026-07-11T21:18:26,581 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:526:53: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,582 526 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-07-11T21:18:26,583 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-07-11T21:18:26,584 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1569:19: note: declared here 2026-07-11T21:18:26,585 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-07-11T21:18:26,586 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,587 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:543:54: warning: ‘static double OpenBabel::OBForceField::VectorAngleDerivative(OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,588 543 | theta = OBForceField::VectorAngleDerivative(da, db, dc); 2026-07-11T21:18:26,589 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,590 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1585:19: note: declared here 2026-07-11T21:18:26,591 1585 | static double VectorAngleDerivative(vector3 &a, vector3 &b, vector3 &c); 2026-07-11T21:18:26,592 | ^~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,593 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:562:56: warning: ‘static double OpenBabel::OBForceField::VectorTorsionDerivative(OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:26,594 562 | theta = OBForceField::VectorTorsionDerivative(da, db, dc, dd); 2026-07-11T21:18:26,595 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,596 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1618:19: note: declared here 2026-07-11T21:18:26,597 1618 | static double VectorTorsionDerivative(vector3 &a, vector3 &b, vector3 &c, vector3 &d); 2026-07-11T21:18:26,598 | ^~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,599 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::SystematicRotorSearchInitialize(unsigned int, bool)’: 2026-07-11T21:18:26,600 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1224:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-07-11T21:18:26,601 1224 | rl.SetFixAtoms(fixed); 2026-07-11T21:18:26,602 | ~~~~~~~~~~~~~~^~~~~~~ 2026-07-11T21:18:26,603 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotamer.h:26, 2026-07-11T21:18:26,604 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:32: 2026-07-11T21:18:26,605 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:625:10: note: declared here 2026-07-11T21:18:26,606 625 | void SetFixAtoms(OBBitVec &fix) 2026-07-11T21:18:26,607 | ^~~~~~~~~~~ 2026-07-11T21:18:26,608 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’: 2026-07-11T21:18:26,609 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1345:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-07-11T21:18:26,610 1345 | rl.SetFixAtoms(fixed); 2026-07-11T21:18:26,611 | ~~~~~~~~~~~~~~^~~~~~~ 2026-07-11T21:18:26,612 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:625:10: note: declared here 2026-07-11T21:18:26,612 625 | void SetFixAtoms(OBBitVec &fix) 2026-07-11T21:18:26,613 | ^~~~~~~~~~~ 2026-07-11T21:18:26,614 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp: In member function ‘void OpenBabel::OBForceField::RandomRotorSearchInitialize(unsigned int, unsigned int, bool)’: 2026-07-11T21:18:26,615 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1492:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-07-11T21:18:26,616 1492 | rl.SetFixAtoms(fixed); 2026-07-11T21:18:26,617 | ~~~~~~~~~~~~~~^~~~~~~ 2026-07-11T21:18:26,626 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:625:10: note: declared here 2026-07-11T21:18:26,627 625 | void SetFixAtoms(OBBitVec &fix) 2026-07-11T21:18:26,627 | ^~~~~~~~~~~ 2026-07-11T21:18:26,628 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp: In member function ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’: 2026-07-11T21:18:26,630 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1678:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-07-11T21:18:26,630 1678 | rl.SetFixAtoms(fixed); 2026-07-11T21:18:26,631 | ~~~~~~~~~~~~~~^~~~~~~ 2026-07-11T21:18:26,632 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:625:10: note: declared here 2026-07-11T21:18:26,633 625 | void SetFixAtoms(OBBitVec &fix) 2026-07-11T21:18:26,634 | ^~~~~~~~~~~ 2026-07-11T21:18:26,635 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:18:26,636 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:22: 2026-07-11T21:18:26,637 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFConstraint&}; _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’: 2026-07-11T21:18:26,638 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:26,639 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:26,639 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,641 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:18:26,641 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,642 inlined from ‘void OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:704:27: 2026-07-11T21:18:26,643 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,644 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,645 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,647 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,648 inlined from ‘void OpenBabel::OBFFConstraints::AddIgnore(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:624:27: 2026-07-11T21:18:26,649 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,650 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,652 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,653 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,654 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:635:27: 2026-07-11T21:18:26,655 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,656 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,657 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,658 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,659 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:646:27: 2026-07-11T21:18:26,660 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,661 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,662 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,663 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,664 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:657:27: 2026-07-11T21:18:26,665 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,666 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,667 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,668 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,669 inlined from ‘void OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:679:27: 2026-07-11T21:18:26,670 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,670 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,671 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,672 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,674 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:668:27: 2026-07-11T21:18:26,675 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,676 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,677 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,678 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-07-11T21:18:26,679 inlined from ‘void OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:691:27: 2026-07-11T21:18:26,680 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,681 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,682 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,683 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:18:26,684 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:26,685 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:26,686 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,696 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:18:26,697 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:26,698 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:18:26,698 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:26,699 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,700 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:26,701 inlined from ‘bool OpenBabel::OBForceField::RandomRotorSearchNextConformer(unsigned int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1583:24: 2026-07-11T21:18:26,702 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,703 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:26,704 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,705 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,706 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:26,707 inlined from ‘bool OpenBabel::OBForceField::SystematicRotorSearchNextConformer(unsigned int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1309:24: 2026-07-11T21:18:26,708 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,709 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:26,710 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,711 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,712 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:26,713 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1707:26: 2026-07-11T21:18:26,714 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,715 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:26,716 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,717 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,718 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:26,719 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1712:24: 2026-07-11T21:18:26,720 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,721 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:26,722 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:26,723 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,724 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1761:27: 2026-07-11T21:18:26,725 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,726 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,727 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,728 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,729 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1780:28: 2026-07-11T21:18:26,730 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,730 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,731 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,732 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,746 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:26,747 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1836:26: 2026-07-11T21:18:26,747 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,748 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:26,749 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:26,750 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:18:26,751 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:26,752 inlined from ‘bool OpenBabel::OBForceField::GetCoordinates(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefield.cpp:1084:23: 2026-07-11T21:18:26,753 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:26,754 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:26,755 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:29,567 [55/480] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o 2026-07-11T21:18:32,003 [56/480] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o 2026-07-11T21:18:36,113 [57/480] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o 2026-07-11T21:18:36,113 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:36,114 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/obiter.cpp:24: 2026-07-11T21:18:36,115 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:36,116 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:36,117 281 | return ! ( (*this) == other ); 2026-07-11T21:18:36,118 | ^~~~~ 2026-07-11T21:18:36,119 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:36,120 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:36,121 | ^~~~~~~~ 2026-07-11T21:18:38,722 [58/480] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o 2026-07-11T21:18:38,723 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/patty.h:23, 2026-07-11T21:18:38,724 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/patty.cpp:24: 2026-07-11T21:18:38,725 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:18:38,726 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,727 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:38,728 | ^ 2026-07-11T21:18:38,729 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,730 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,731 | ^~~~~~~~~ 2026-07-11T21:18:38,732 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,733 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:38,734 | ^ 2026-07-11T21:18:38,735 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,736 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,737 | ^~~~~~~~~ 2026-07-11T21:18:38,738 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,739 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:38,740 | ^ 2026-07-11T21:18:38,741 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,742 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,743 | ^~~~~~~~~ 2026-07-11T21:18:38,744 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,745 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:38,747 | ^ 2026-07-11T21:18:38,748 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,749 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,750 | ^~~~~~~~~ 2026-07-11T21:18:38,750 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:18:38,751 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,753 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:38,753 | ^ 2026-07-11T21:18:38,755 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,756 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,757 | ^~~~~~~~~ 2026-07-11T21:18:38,758 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,759 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:38,760 | ^ 2026-07-11T21:18:38,761 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,762 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,763 | ^~~~~~~~~ 2026-07-11T21:18:38,764 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,776 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:38,777 | ^ 2026-07-11T21:18:38,779 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,780 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,782 | ^~~~~~~~~ 2026-07-11T21:18:38,783 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:38,784 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:38,786 | ^ 2026-07-11T21:18:38,787 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:38,787 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:38,788 | ^~~~~~~~~ 2026-07-11T21:18:43,472 [59/480] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o 2026-07-11T21:18:44,207 [60/480] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o 2026-07-11T21:18:44,208 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:44,209 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/phmodel.cpp:22: 2026-07-11T21:18:44,209 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:44,210 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:44,211 281 | return ! ( (*this) == other ); 2026-07-11T21:18:44,212 | ^~~~~ 2026-07-11T21:18:44,213 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:44,213 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:44,214 | ^~~~~~~~ 2026-07-11T21:18:44,215 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:18:44,216 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/phmodel.cpp:24: 2026-07-11T21:18:44,218 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:18:44,219 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,220 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:44,221 | ^ 2026-07-11T21:18:44,222 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,223 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,224 | ^~~~~~~~~ 2026-07-11T21:18:44,225 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,226 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:44,227 | ^ 2026-07-11T21:18:44,228 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,236 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,236 | ^~~~~~~~~ 2026-07-11T21:18:44,237 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,238 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:44,239 | ^ 2026-07-11T21:18:44,240 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,241 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,242 | ^~~~~~~~~ 2026-07-11T21:18:44,242 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,243 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:44,244 | ^ 2026-07-11T21:18:44,245 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,246 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,247 | ^~~~~~~~~ 2026-07-11T21:18:44,248 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:18:44,248 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,256 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:44,257 | ^ 2026-07-11T21:18:44,260 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,261 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,262 | ^~~~~~~~~ 2026-07-11T21:18:44,263 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,263 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:44,265 | ^ 2026-07-11T21:18:44,266 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,267 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,268 | ^~~~~~~~~ 2026-07-11T21:18:44,269 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,270 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:44,271 | ^ 2026-07-11T21:18:44,272 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,273 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,274 | ^~~~~~~~~ 2026-07-11T21:18:44,275 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:44,276 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:44,276 | ^ 2026-07-11T21:18:44,277 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:44,278 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:44,279 | ^~~~~~~~~ 2026-07-11T21:18:44,281 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:18:44,281 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:18:44,283 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/phmodel.cpp:21: 2026-07-11T21:18:44,284 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:18:44,285 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:44,286 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:44,296 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:44,297 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:44,298 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:44,299 inlined from ‘virtual void OpenBabel::OBPhModel::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/phmodel.cpp:95:24: 2026-07-11T21:18:44,300 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:44,301 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:44,302 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:44,303 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:18:44,304 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:18:44,305 inlined from ‘virtual void OpenBabel::OBPhModel::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/phmodel.cpp:118:23: 2026-07-11T21:18:44,306 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:44,307 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:18:44,308 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:50,071 [61/480] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o 2026-07-11T21:18:50,915 [62/480] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o 2026-07-11T21:18:50,916 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:50,916 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/parsmart.cpp:27: 2026-07-11T21:18:50,917 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:50,918 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:50,919 281 | return ! ( (*this) == other ); 2026-07-11T21:18:50,920 | ^~~~~ 2026-07-11T21:18:50,923 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:50,924 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:50,925 | ^~~~~~~~ 2026-07-11T21:18:50,926 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/parsmart.cpp:29: 2026-07-11T21:18:50,927 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:18:50,928 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,929 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:50,929 | ^ 2026-07-11T21:18:50,930 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,931 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,932 | ^~~~~~~~~ 2026-07-11T21:18:50,933 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,934 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:50,934 | ^ 2026-07-11T21:18:50,935 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,936 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,937 | ^~~~~~~~~ 2026-07-11T21:18:50,938 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,939 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:50,940 | ^ 2026-07-11T21:18:50,940 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,941 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,942 | ^~~~~~~~~ 2026-07-11T21:18:50,943 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,943 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:50,944 | ^ 2026-07-11T21:18:50,945 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,946 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,947 | ^~~~~~~~~ 2026-07-11T21:18:50,948 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:18:50,949 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,950 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:50,950 | ^ 2026-07-11T21:18:50,951 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,952 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,953 | ^~~~~~~~~ 2026-07-11T21:18:50,954 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,955 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:50,966 | ^ 2026-07-11T21:18:50,966 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,967 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,968 | ^~~~~~~~~ 2026-07-11T21:18:50,969 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,970 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:50,971 | ^ 2026-07-11T21:18:50,972 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,973 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,974 | ^~~~~~~~~ 2026-07-11T21:18:50,974 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,975 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:50,976 | ^ 2026-07-11T21:18:50,977 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,978 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,978 | ^~~~~~~~~ 2026-07-11T21:18:50,981 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/parsmart.cpp: In destructor ‘virtual OpenBabel::OBSmartsPattern::~OBSmartsPattern()’: 2026-07-11T21:18:50,982 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/parsmart.cpp:1807:37: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,982 1807 | OBSmartsPattern::~OBSmartsPattern() 2026-07-11T21:18:50,983 | ^ 2026-07-11T21:18:50,984 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,985 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,986 | ^~~~~~~~~ 2026-07-11T21:18:50,987 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/parsmart.cpp:1807:37: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:50,988 1807 | OBSmartsPattern::~OBSmartsPattern() 2026-07-11T21:18:50,989 | ^ 2026-07-11T21:18:50,990 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:50,991 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:50,993 | ^~~~~~~~~ 2026-07-11T21:18:51,922 [63/480] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o 2026-07-11T21:18:51,923 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:51,924 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/pointgroup.cpp:24: 2026-07-11T21:18:51,925 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:51,926 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:51,927 281 | return ! ( (*this) == other ); 2026-07-11T21:18:51,928 | ^~~~~ 2026-07-11T21:18:51,930 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:51,931 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:51,932 | ^~~~~~~~ 2026-07-11T21:18:52,284 [64/480] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o 2026-07-11T21:18:52,285 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:52,286 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:18:52,288 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/query.h:27, 2026-07-11T21:18:52,289 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/query.cpp:25: 2026-07-11T21:18:52,290 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:52,291 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:52,291 281 | return ! ( (*this) == other ); 2026-07-11T21:18:52,292 | ^~~~~ 2026-07-11T21:18:52,293 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:52,294 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:52,295 | ^~~~~~~~ 2026-07-11T21:18:52,757 [65/480] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o 2026-07-11T21:18:52,758 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:18:52,759 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:18:52,760 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:23: 2026-07-11T21:18:52,761 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:18:52,762 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:18:52,763 281 | return ! ( (*this) == other ); 2026-07-11T21:18:52,764 | ^~~~~ 2026-07-11T21:18:52,765 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:18:52,766 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:18:52,767 | ^~~~~~~~ 2026-07-11T21:18:52,768 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:18:52,769 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:18:52,770 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:24: 2026-07-11T21:18:52,771 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:18:52,772 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,773 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:52,774 | ^ 2026-07-11T21:18:52,776 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,778 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,780 | ^~~~~~~~~ 2026-07-11T21:18:52,781 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,782 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:52,784 | ^ 2026-07-11T21:18:52,785 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,787 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,788 | ^~~~~~~~~ 2026-07-11T21:18:52,789 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,792 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:52,794 | ^ 2026-07-11T21:18:52,801 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,807 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,808 | ^~~~~~~~~ 2026-07-11T21:18:52,810 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,811 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:18:52,812 | ^ 2026-07-11T21:18:52,813 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,814 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,816 | ^~~~~~~~~ 2026-07-11T21:18:52,818 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:18:52,820 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,821 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:52,823 | ^ 2026-07-11T21:18:52,824 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,826 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,827 | ^~~~~~~~~ 2026-07-11T21:18:52,829 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,830 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:52,832 | ^ 2026-07-11T21:18:52,833 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,834 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,839 | ^~~~~~~~~ 2026-07-11T21:18:52,840 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,856 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:52,857 | ^ 2026-07-11T21:18:52,858 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,860 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,862 | ^~~~~~~~~ 2026-07-11T21:18:52,864 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:18:52,865 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:18:52,867 | ^ 2026-07-11T21:18:52,868 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:18:52,870 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:18:52,871 | ^~~~~~~~~ 2026-07-11T21:18:52,886 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:18:52,888 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:18:52,889 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:22: 2026-07-11T21:18:52,891 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const std::pair&}; _Tp = std::pair; _Alloc = std::allocator >]’: 2026-07-11T21:18:52,893 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:18:52,897 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:18:52,898 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:52,900 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:18:52,902 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:18:52,904 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:18:52,905 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:18:52,906 inlined from ‘std::vector OpenBabel::OBMol::Separate(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:4067:23: 2026-07-11T21:18:52,907 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:18:52,909 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:52,910 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:52,916 In file included from /usr/include/c++/12/algorithm:61, 2026-07-11T21:18:52,926 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:24: 2026-07-11T21:18:52,927 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:18:52,928 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,929 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:18:52,930 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:18:52,931 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,932 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:18:52,933 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,934 82 | __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b, 2026-07-11T21:18:52,935 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:52,936 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,937 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,939 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,940 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-07-11T21:18:52,946 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Distance = int; _Tp = pair; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:18:52,947 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,948 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-07-11T21:18:52,949 | ^~~~~~~~~~~~~ 2026-07-11T21:18:52,966 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:18:52,986 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:52,996 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:18:53,006 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,016 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,017 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,018 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1921:38: 2026-07-11T21:18:53,019 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,021 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-07-11T21:18:53,022 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,023 1888 | __comp); 2026-07-11T21:18:53,024 | ~~~~~~~ 2026-07-11T21:18:53,025 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,026 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:18:53,027 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,028 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:18:53,029 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,030 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:18:53,031 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3042:31: 2026-07-11T21:18:53,032 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,033 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:53,034 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:53,035 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,036 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1921:38, 2026-07-11T21:18:53,037 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1937:25, 2026-07-11T21:18:53,038 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:18:53,039 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3044:9: 2026-07-11T21:18:53,040 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,041 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-07-11T21:18:53,042 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,043 1888 | __comp); 2026-07-11T21:18:53,044 | ~~~~~~~ 2026-07-11T21:18:53,045 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,046 In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,048 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1937:25, 2026-07-11T21:18:53,049 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:18:53,050 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3044:9: 2026-07-11T21:18:53,051 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,052 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:18:53,066 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,067 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,068 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:18:53,068 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:18:53,070 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3044:9: 2026-07-11T21:18:53,071 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,072 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:18:53,073 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,074 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,075 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:18:53,076 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,077 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:18:53,078 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3461:30: 2026-07-11T21:18:53,080 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,081 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:18:53,082 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:18:53,083 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,084 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1921:38, 2026-07-11T21:18:53,085 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1937:25, 2026-07-11T21:18:53,086 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:18:53,087 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3463:9: 2026-07-11T21:18:53,088 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,089 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-07-11T21:18:53,090 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,091 1888 | __comp); 2026-07-11T21:18:53,092 | ~~~~~~~ 2026-07-11T21:18:53,093 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,094 In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,095 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1937:25, 2026-07-11T21:18:53,096 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:18:53,097 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3463:9: 2026-07-11T21:18:53,098 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,106 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:18:53,107 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,108 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:18:53,109 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:18:53,110 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:18:53,111 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mol.cpp:3463:9: 2026-07-11T21:18:53,112 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,113 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:18:53,113 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:18:53,114 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:18:53,116 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:18:53,117 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:01,942 [66/480] Building CXX object src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o 2026-07-11T21:19:01,943 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:01,944 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/reactionfacade.cpp:21: 2026-07-11T21:19:01,945 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:01,946 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:01,947 281 | return ! ( (*this) == other ); 2026-07-11T21:19:01,948 | ^~~~~ 2026-07-11T21:19:01,949 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:01,950 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:01,951 | ^~~~~~~~ 2026-07-11T21:19:03,760 [67/480] Building CXX object src/CMakeFiles/openbabel.dir/residue.cpp.o 2026-07-11T21:19:03,761 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:03,762 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/residue.cpp:34: 2026-07-11T21:19:03,763 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:03,764 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:03,765 281 | return ! ( (*this) == other ); 2026-07-11T21:19:03,766 | ^~~~~ 2026-07-11T21:19:03,767 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:03,768 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:03,769 | ^~~~~~~~ 2026-07-11T21:19:06,952 [68/480] Building CXX object src/CMakeFiles/openbabel.dir/rotamer.cpp.o 2026-07-11T21:19:06,953 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:06,954 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotamer.cpp:22: 2026-07-11T21:19:06,955 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:06,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:06,957 281 | return ! ( (*this) == other ); 2026-07-11T21:19:06,958 | ^~~~~ 2026-07-11T21:19:06,959 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:06,960 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:06,961 | ^~~~~~~~ 2026-07-11T21:19:06,962 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:19:06,963 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:19:06,964 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotamer.cpp:23: 2026-07-11T21:19:06,965 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:06,966 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:06,967 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:06,968 | ^ 2026-07-11T21:19:06,969 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:06,970 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:06,971 | ^~~~~~~~~ 2026-07-11T21:19:06,972 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:06,972 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:06,973 | ^ 2026-07-11T21:19:06,974 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:06,975 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:06,976 | ^~~~~~~~~ 2026-07-11T21:19:06,977 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:06,977 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:06,978 | ^ 2026-07-11T21:19:06,979 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:06,980 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:06,982 | ^~~~~~~~~ 2026-07-11T21:19:06,996 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:06,997 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:06,998 | ^ 2026-07-11T21:19:06,999 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:07,000 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:07,001 | ^~~~~~~~~ 2026-07-11T21:19:07,002 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:07,003 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:07,003 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:07,004 | ^ 2026-07-11T21:19:07,005 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:07,007 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:07,008 | ^~~~~~~~~ 2026-07-11T21:19:07,009 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:07,009 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:07,010 | ^ 2026-07-11T21:19:07,011 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:07,012 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:07,013 | ^~~~~~~~~ 2026-07-11T21:19:07,014 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:07,014 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:07,015 | ^ 2026-07-11T21:19:07,016 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:07,017 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:07,018 | ^~~~~~~~~ 2026-07-11T21:19:07,019 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:07,020 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:07,021 | ^ 2026-07-11T21:19:07,022 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:07,023 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:07,024 | ^~~~~~~~~ 2026-07-11T21:19:07,025 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:19:07,026 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:19:07,036 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotamer.cpp:21: 2026-07-11T21:19:07,037 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:07,038 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:07,039 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:07,040 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:07,041 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:19:07,042 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:07,043 inlined from ‘void OpenBabel::OBRotamerList::Setup(OpenBabel::OBMol&, OpenBabel::OBRotorList&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotamer.cpp:258:33: 2026-07-11T21:19:07,044 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:07,045 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:07,046 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:08,915 [69/480] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o 2026-07-11T21:19:08,916 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:08,916 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/mcdlutil.cpp:23: 2026-07-11T21:19:08,917 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:08,918 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:08,919 281 | return ! ( (*this) == other ); 2026-07-11T21:19:08,920 | ^~~~~ 2026-07-11T21:19:08,921 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:08,922 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:08,923 | ^~~~~~~~ 2026-07-11T21:19:08,928 [70/480] Building CXX object src/CMakeFiles/openbabel.dir/ring.cpp.o 2026-07-11T21:19:08,929 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:19:08,930 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:19:08,931 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:24: 2026-07-11T21:19:08,932 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:08,933 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,934 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:08,936 | ^ 2026-07-11T21:19:08,937 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,938 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,939 | ^~~~~~~~~ 2026-07-11T21:19:08,940 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,941 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:08,942 | ^ 2026-07-11T21:19:08,943 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,944 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,945 | ^~~~~~~~~ 2026-07-11T21:19:08,946 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,947 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:08,948 | ^ 2026-07-11T21:19:08,949 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,950 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,951 | ^~~~~~~~~ 2026-07-11T21:19:08,951 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,952 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:08,953 | ^ 2026-07-11T21:19:08,954 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,955 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,966 | ^~~~~~~~~ 2026-07-11T21:19:08,967 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:08,968 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,969 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:08,972 | ^ 2026-07-11T21:19:08,973 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,974 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,975 | ^~~~~~~~~ 2026-07-11T21:19:08,976 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,978 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:08,979 | ^ 2026-07-11T21:19:08,980 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,981 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,982 | ^~~~~~~~~ 2026-07-11T21:19:08,983 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,984 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:08,985 | ^ 2026-07-11T21:19:08,986 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,987 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,988 | ^~~~~~~~~ 2026-07-11T21:19:08,989 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:08,990 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:08,991 | ^ 2026-07-11T21:19:08,992 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:08,992 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:08,993 | ^~~~~~~~~ 2026-07-11T21:19:08,994 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:09,006 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:19:09,007 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:25: 2026-07-11T21:19:09,007 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:09,008 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:09,010 281 | return ! ( (*this) == other ); 2026-07-11T21:19:09,010 | ^~~~~ 2026-07-11T21:19:09,014 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:09,015 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:09,016 | ^~~~~~~~ 2026-07-11T21:19:09,017 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp: In constructor ‘OpenBabel::OBRingSearch::OBRingSearch()’: 2026-07-11T21:19:09,024 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:09,025 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-07-11T21:19:09,026 | ^ 2026-07-11T21:19:09,027 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:124:40: note: declared here 2026-07-11T21:19:09,028 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-07-11T21:19:09,029 | ^~~~~~ 2026-07-11T21:19:09,030 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:09,031 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-07-11T21:19:09,032 | ^ 2026-07-11T21:19:09,033 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:124:40: note: declared here 2026-07-11T21:19:09,034 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-07-11T21:19:09,035 | ^~~~~~ 2026-07-11T21:19:09,045 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:09,046 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-07-11T21:19:09,056 | ^ 2026-07-11T21:19:09,057 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:124:40: note: declared here 2026-07-11T21:19:09,057 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-07-11T21:19:09,058 | ^~~~~~ 2026-07-11T21:19:09,059 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:09,060 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-07-11T21:19:09,061 | ^ 2026-07-11T21:19:09,062 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:124:40: note: declared here 2026-07-11T21:19:09,063 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-07-11T21:19:09,064 | ^~~~~~ 2026-07-11T21:19:09,064 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp: In destructor ‘OpenBabel::OBRingSearch::~OBRingSearch()’: 2026-07-11T21:19:09,065 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:521:31: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:09,066 521 | OBRingSearch::~OBRingSearch() 2026-07-11T21:19:09,068 | ^ 2026-07-11T21:19:09,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:124:40: note: declared here 2026-07-11T21:19:09,070 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-07-11T21:19:09,071 | ^~~~~~ 2026-07-11T21:19:09,072 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ring.cpp:521:31: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:09,073 521 | OBRingSearch::~OBRingSearch() 2026-07-11T21:19:09,074 | ^ 2026-07-11T21:19:09,081 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:124:40: note: declared here 2026-07-11T21:19:09,082 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-07-11T21:19:09,083 | ^~~~~~ 2026-07-11T21:19:11,111 [71/480] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o 2026-07-11T21:19:12,829 [72/480] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o 2026-07-11T21:19:12,831 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:12,832 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:19:12,832 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:23: 2026-07-11T21:19:12,833 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:12,834 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:12,835 281 | return ! ( (*this) == other ); 2026-07-11T21:19:12,837 | ^~~~~ 2026-07-11T21:19:12,837 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:12,838 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:12,839 | ^~~~~~~~ 2026-07-11T21:19:12,839 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:19:12,840 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:19:12,841 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:24: 2026-07-11T21:19:12,842 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:12,842 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,843 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:12,844 | ^ 2026-07-11T21:19:12,845 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,846 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,847 | ^~~~~~~~~ 2026-07-11T21:19:12,848 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,848 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:12,849 | ^ 2026-07-11T21:19:12,850 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,851 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,852 | ^~~~~~~~~ 2026-07-11T21:19:12,853 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,854 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:12,855 | ^ 2026-07-11T21:19:12,856 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,857 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,866 | ^~~~~~~~~ 2026-07-11T21:19:12,876 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,877 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:12,878 | ^ 2026-07-11T21:19:12,879 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,880 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,881 | ^~~~~~~~~ 2026-07-11T21:19:12,882 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:12,883 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,884 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:12,885 | ^ 2026-07-11T21:19:12,886 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,886 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,887 | ^~~~~~~~~ 2026-07-11T21:19:12,888 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,889 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:12,890 | ^ 2026-07-11T21:19:12,891 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,892 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,893 | ^~~~~~~~~ 2026-07-11T21:19:12,894 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,895 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:12,906 | ^ 2026-07-11T21:19:12,916 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,917 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,918 | ^~~~~~~~~ 2026-07-11T21:19:12,919 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,920 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:12,921 | ^ 2026-07-11T21:19:12,922 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:12,923 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:12,924 | ^~~~~~~~~ 2026-07-11T21:19:12,925 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp: In member function ‘bool OpenBabel::OBRotorList::SetEvalAtoms(OpenBabel::OBMol&)’: 2026-07-11T21:19:12,926 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:335:28: warning: ‘void OpenBabel::OBRotor::SetEvalAtoms(OpenBabel::OBBitVec&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:12,927 335 | rotor->SetEvalAtoms(eval); 2026-07-11T21:19:12,928 | ~~~~~~~~~~~~~~~~~~~^~~~~~ 2026-07-11T21:19:12,928 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:27: 2026-07-11T21:19:12,929 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:435:10: note: declared here 2026-07-11T21:19:12,930 435 | void SetEvalAtoms(OBBitVec &bv) { _evalatoms = bv; } 2026-07-11T21:19:12,931 | ^~~~~~~~~~~~ 2026-07-11T21:19:12,932 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:19:12,933 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:19:12,933 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:22: 2026-07-11T21:19:12,934 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:12,935 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:12,936 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:12,937 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,938 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:19:12,939 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,940 inlined from ‘void OpenBabel::OBRotor::RemoveSymTorsionValues(int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:754:25: 2026-07-11T21:19:12,941 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,942 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:12,943 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:12,944 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:12,945 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:12,946 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:12,947 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,948 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,948 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,949 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:681:25: 2026-07-11T21:19:12,950 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,951 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,952 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,953 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,954 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,954 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:682:25: 2026-07-11T21:19:12,955 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,956 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,957 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,958 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,959 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,960 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:683:24: 2026-07-11T21:19:12,961 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,962 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,963 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,964 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,976 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,976 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:689:26: 2026-07-11T21:19:12,977 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,978 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,979 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,980 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,981 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,982 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:831:28: 2026-07-11T21:19:12,982 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,983 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,984 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,985 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,986 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,987 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:840:28: 2026-07-11T21:19:12,988 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,989 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,991 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,991 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,992 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,993 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:849:28: 2026-07-11T21:19:12,994 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:12,995 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:12,996 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:12,997 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:12,998 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:12,999 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/rotor.cpp:871:29: 2026-07-11T21:19:12,999 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:13,000 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:13,001 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:14,694 [73/480] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o 2026-07-11T21:19:14,695 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:14,696 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/tautomer.cpp:21: 2026-07-11T21:19:14,697 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:14,698 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:14,699 281 | return ! ( (*this) == other ); 2026-07-11T21:19:14,700 | ^~~~~ 2026-07-11T21:19:14,701 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:14,702 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:14,703 | ^~~~~~~~ 2026-07-11T21:19:19,465 [74/480] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o 2026-07-11T21:19:19,466 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:19:19,467 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:19:19,468 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:19:19,469 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:19:19,470 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/transform.cpp:21: 2026-07-11T21:19:19,471 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:19,472 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:19,473 281 | return ! ( (*this) == other ); 2026-07-11T21:19:19,474 | ^~~~~ 2026-07-11T21:19:19,475 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:19,476 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:19,477 | ^~~~~~~~ 2026-07-11T21:19:19,478 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/transform.cpp:25: 2026-07-11T21:19:19,479 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:19,480 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,481 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:19,482 | ^ 2026-07-11T21:19:19,483 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,484 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,485 | ^~~~~~~~~ 2026-07-11T21:19:19,486 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,487 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:19,488 | ^ 2026-07-11T21:19:19,489 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,496 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,506 | ^~~~~~~~~ 2026-07-11T21:19:19,507 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,508 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:19,509 | ^ 2026-07-11T21:19:19,510 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,511 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,512 | ^~~~~~~~~ 2026-07-11T21:19:19,513 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,515 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:19,516 | ^ 2026-07-11T21:19:19,517 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,518 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,519 | ^~~~~~~~~ 2026-07-11T21:19:19,520 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:19,521 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,522 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:19,524 | ^ 2026-07-11T21:19:19,527 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,528 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,529 | ^~~~~~~~~ 2026-07-11T21:19:19,530 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,531 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:19,532 | ^ 2026-07-11T21:19:19,533 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,533 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,534 | ^~~~~~~~~ 2026-07-11T21:19:19,536 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,537 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:19,538 | ^ 2026-07-11T21:19:19,539 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,540 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,542 | ^~~~~~~~~ 2026-07-11T21:19:19,543 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:19,544 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:19,546 | ^ 2026-07-11T21:19:19,547 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:19,549 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:19,550 | ^~~~~~~~~ 2026-07-11T21:19:19,576 [75/480] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o 2026-07-11T21:19:19,577 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:19,578 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/spectrophore.cpp:27: 2026-07-11T21:19:19,579 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:19,580 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:19,581 281 | return ! ( (*this) == other ); 2026-07-11T21:19:19,581 | ^~~~~ 2026-07-11T21:19:19,582 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:19,583 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:19,584 | ^~~~~~~~ 2026-07-11T21:19:22,930 [76/480] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o 2026-07-11T21:19:22,931 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:22,932 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/typer.cpp:22: 2026-07-11T21:19:22,933 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:22,934 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:22,935 281 | return ! ( (*this) == other ); 2026-07-11T21:19:22,936 | ^~~~~ 2026-07-11T21:19:22,937 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:22,938 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:22,939 | ^~~~~~~~ 2026-07-11T21:19:22,940 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:19:22,941 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:19:22,942 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/typer.cpp:24: 2026-07-11T21:19:22,943 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:22,944 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,945 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:22,946 | ^ 2026-07-11T21:19:22,947 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,948 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,949 | ^~~~~~~~~ 2026-07-11T21:19:22,950 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,951 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:22,952 | ^ 2026-07-11T21:19:22,953 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,954 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,955 | ^~~~~~~~~ 2026-07-11T21:19:22,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,956 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:22,957 | ^ 2026-07-11T21:19:22,958 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,959 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,960 | ^~~~~~~~~ 2026-07-11T21:19:22,961 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,962 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:22,963 | ^ 2026-07-11T21:19:22,964 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,966 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,967 | ^~~~~~~~~ 2026-07-11T21:19:22,968 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:22,969 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,970 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:22,976 | ^ 2026-07-11T21:19:22,977 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,979 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,980 | ^~~~~~~~~ 2026-07-11T21:19:22,981 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,982 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:22,984 | ^ 2026-07-11T21:19:22,985 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,986 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,987 | ^~~~~~~~~ 2026-07-11T21:19:22,988 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:22,989 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:22,990 | ^ 2026-07-11T21:19:22,997 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:22,998 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:22,999 | ^~~~~~~~~ 2026-07-11T21:19:23,000 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:23,001 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:23,002 | ^ 2026-07-11T21:19:23,004 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:23,005 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:23,006 | ^~~~~~~~~ 2026-07-11T21:19:24,761 [77/480] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o 2026-07-11T21:19:25,767 [78/480] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o 2026-07-11T21:19:25,767 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:19:25,768 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:19:25,769 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:19:25,770 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/obmolecformat.cpp:19: 2026-07-11T21:19:25,771 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:19:25,772 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:25,773 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:25,775 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:25,776 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:19:25,777 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:19:25,777 inlined from ‘std::back_insert_iterator<_Container>& std::back_insert_iterator<_Container>::operator=(const typename _Container::value_type&) [with _Container = std::vector]’ at /usr/include/c++/12/bits/stl_iterator.h:735:22, 2026-07-11T21:19:25,779 inlined from ‘static _OI std::__copy_move::__copy_m(_II, _II, _OI) [with _II = OpenBabel::OBMol*; _OI = std::back_insert_iterator >]’ at /usr/include/c++/12/bits/stl_algobase.h:385:18, 2026-07-11T21:19:25,780 inlined from ‘_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = OpenBabel::OBMol*; _OI = back_insert_iterator >]’ at /usr/include/c++/12/bits/stl_algobase.h:495:30, 2026-07-11T21:19:25,781 inlined from ‘_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = OpenBabel::OBMol*; _OI = back_insert_iterator >]’ at /usr/include/c++/12/bits/stl_algobase.h:522:42, 2026-07-11T21:19:25,782 inlined from ‘_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator >; _OI = back_insert_iterator >]’ at /usr/include/c++/12/bits/stl_algobase.h:529:31, 2026-07-11T21:19:25,783 inlined from ‘_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator >; _OI = back_insert_iterator >]’ at /usr/include/c++/12/bits/stl_algobase.h:620:7, 2026-07-11T21:19:25,784 inlined from ‘static bool OpenBabel::OBMoleculeFormat::ReadChemObjectImpl(OpenBabel::OBConversion*, OpenBabel::OBFormat*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/obmolecformat.cpp:73:16: 2026-07-11T21:19:25,785 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:25,786 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:25,787 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:30,379 [79/480] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o 2026-07-11T21:19:30,380 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:19:30,381 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/matrix3x3.cpp:22: 2026-07-11T21:19:30,382 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:30,383 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:30,384 281 | return ! ( (*this) == other ); 2026-07-11T21:19:30,386 | ^~~~~ 2026-07-11T21:19:30,387 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:30,388 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:30,389 | ^~~~~~~~ 2026-07-11T21:19:30,443 [80/480] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o 2026-07-11T21:19:34,312 [81/480] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o 2026-07-11T21:19:34,314 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:19:34,315 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:19:34,316 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/transform3d.cpp:21: 2026-07-11T21:19:34,317 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:34,318 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:34,319 281 | return ! ( (*this) == other ); 2026-07-11T21:19:34,320 | ^~~~~ 2026-07-11T21:19:34,321 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:34,322 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:34,323 | ^~~~~~~~ 2026-07-11T21:19:36,457 [82/480] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o 2026-07-11T21:19:36,458 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:36,459 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:22: 2026-07-11T21:19:36,460 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:36,461 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:36,463 281 | return ! ( (*this) == other ); 2026-07-11T21:19:36,464 | ^~~~~ 2026-07-11T21:19:36,465 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:36,466 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:36,468 | ^~~~~~~~ 2026-07-11T21:19:36,469 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:23, 2026-07-11T21:19:36,470 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotamer.h:26, 2026-07-11T21:19:36,471 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:25: 2026-07-11T21:19:36,472 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:36,473 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,474 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:36,475 | ^ 2026-07-11T21:19:36,477 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,478 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,479 | ^~~~~~~~~ 2026-07-11T21:19:36,480 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,481 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:36,486 | ^ 2026-07-11T21:19:36,487 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,488 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,489 | ^~~~~~~~~ 2026-07-11T21:19:36,490 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,491 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:36,492 | ^ 2026-07-11T21:19:36,493 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,494 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,495 | ^~~~~~~~~ 2026-07-11T21:19:36,496 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,497 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:36,498 | ^ 2026-07-11T21:19:36,499 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,500 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,501 | ^~~~~~~~~ 2026-07-11T21:19:36,502 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:36,503 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,504 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:36,505 | ^ 2026-07-11T21:19:36,506 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,507 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,508 | ^~~~~~~~~ 2026-07-11T21:19:36,509 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,510 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:36,511 | ^ 2026-07-11T21:19:36,513 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,513 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,514 | ^~~~~~~~~ 2026-07-11T21:19:36,515 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,516 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:36,517 | ^ 2026-07-11T21:19:36,518 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,519 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,520 | ^~~~~~~~~ 2026-07-11T21:19:36,521 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:36,523 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:36,538 | ^ 2026-07-11T21:19:36,539 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:36,540 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:36,542 | ^~~~~~~~~ 2026-07-11T21:19:36,546 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’: 2026-07-11T21:19:36,549 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:361:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-07-11T21:19:36,550 361 | rl.SetFixAtoms(fixed); 2026-07-11T21:19:36,551 | ~~~~~~~~~~~~~~^~~~~~~ 2026-07-11T21:19:36,552 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:625:10: note: declared here 2026-07-11T21:19:36,553 625 | void SetFixAtoms(OBBitVec &fix) 2026-07-11T21:19:36,554 | ^~~~~~~~~~~ 2026-07-11T21:19:36,555 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:19:36,556 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:30: 2026-07-11T21:19:36,557 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:36,558 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:36,560 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:36,566 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,576 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:19:36,577 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:36,578 inlined from ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:135:18: 2026-07-11T21:19:36,579 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,580 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,581 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,582 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:19:36,583 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:36,583 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:36,584 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,585 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:36,586 inlined from ‘std::vector OpenBabel::GetHeavyAtomCoords(const OBMol*, const std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:284:27: 2026-07-11T21:19:36,587 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,587 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,588 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,589 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:36,590 inlined from ‘std::vector OpenBabel::OBDiversePoses::GetHeavyAtomCoords(const std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:269:29: 2026-07-11T21:19:36,591 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,592 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,593 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,594 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const std::pair >, double>&}; _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’: 2026-07-11T21:19:36,595 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector, double> >::iterator’ changed in GCC 7.1 2026-07-11T21:19:36,596 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:36,601 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,606 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:19:36,607 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:36,608 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {std::pair >, double>}; _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’: 2026-07-11T21:19:36,609 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector, double> >::iterator’ changed in GCC 7.1 2026-07-11T21:19:36,610 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:36,611 inlined from ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:209:36: 2026-07-11T21:19:36,612 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,613 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,614 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,615 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair >, double>}; _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’, 2026-07-11T21:19:36,616 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:36,617 inlined from ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:224:30: 2026-07-11T21:19:36,618 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,619 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:36,619 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,620 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:36,621 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:36,622 inlined from ‘bool OpenBabel::OBDiversePoses::AddPose(double*, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:151:24: 2026-07-11T21:19:36,623 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,623 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:36,624 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,625 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:36,626 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:36,627 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:36,629 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,630 In file included from /usr/include/c++/12/algorithm:61, 2026-07-11T21:19:36,631 from /tmp/pip-build-env-yv9ycce3/overlay/local/lib/python3.11/dist-packages/cmeel.prefix/include/eigen3/Eigen/Core:95, 2026-07-11T21:19:36,631 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/align.h:26, 2026-07-11T21:19:36,632 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:27: 2026-07-11T21:19:36,633 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Val_comp_iter, double>&, const pair, double>&)>]’: 2026-07-11T21:19:36,634 /usr/include/c++/12/bits/stl_algo.h:1782:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,635 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-07-11T21:19:36,636 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,637 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’: 2026-07-11T21:19:36,638 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,639 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:19:36,639 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,640 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,641 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-07-11T21:19:36,642 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Distance = int; _Tp = pair, double>; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’: 2026-07-11T21:19:36,643 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,643 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-07-11T21:19:36,644 | ^~~~~~~~~~~~~ 2026-07-11T21:19:36,645 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__make_heap(_RandomAccessIterator, _RandomAccessIterator, _Compare&) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’: 2026-07-11T21:19:36,646 /usr/include/c++/12/bits/stl_heap.h:340:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,647 340 | __make_heap(_RandomAccessIterator __first, _RandomAccessIterator __last, 2026-07-11T21:19:36,648 | ^~~~~~~~~~~ 2026-07-11T21:19:36,649 /usr/include/c++/12/bits/stl_heap.h:340:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,650 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’: 2026-07-11T21:19:36,650 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,651 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:19:36,652 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,653 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,654 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,655 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:19:36,656 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,657 In function ‘void std::__heap_select(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’, 2026-07-11T21:19:36,658 inlined from ‘void std::__partial_sort(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1900:25, 2026-07-11T21:19:36,659 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1916:27: 2026-07-11T21:19:36,660 /usr/include/c++/12/bits/stl_algo.h:1629:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,661 1629 | std::__make_heap(__first, __middle, __comp); 2026-07-11T21:19:36,662 | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,663 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’, 2026-07-11T21:19:36,664 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:298:22: 2026-07-11T21:19:36,666 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,667 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,668 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,669 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’, 2026-07-11T21:19:36,670 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = bool (*)(const pair, double>&, const pair, double>&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:36,671 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:301:7: 2026-07-11T21:19:36,672 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,673 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:19:36,674 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,675 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:19:36,686 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,687 1939 | __comp); 2026-07-11T21:19:36,688 | ~~~~~~~ 2026-07-11T21:19:36,689 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’, 2026-07-11T21:19:36,690 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter, double>&, const pair, double>&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:19:36,691 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator, double>*, vector, double> > >; _Compare = bool (*)(const pair, double>&, const pair, double>&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:36,692 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:301:7: 2026-07-11T21:19:36,694 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,695 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:19:36,696 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,696 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,697 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:19:36,698 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,699 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’, 2026-07-11T21:19:36,700 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:313:25: 2026-07-11T21:19:36,700 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator, double>*, std::vector, double> > >’ changed in GCC 7.1 2026-07-11T21:19:36,701 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,702 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,703 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:36,704 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:321:23: 2026-07-11T21:19:36,705 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,706 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,707 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:36,708 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:36,709 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:36,710 inlined from ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:350:26: 2026-07-11T21:19:36,711 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,712 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:36,713 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:36,714 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:36,715 inlined from ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/confsearch.cpp:375:24: 2026-07-11T21:19:36,716 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:36,717 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:36,718 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:39,352 [83/480] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o 2026-07-11T21:19:39,353 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/vector3.cpp:26: 2026-07-11T21:19:39,354 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:39,355 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:39,356 281 | return ! ( (*this) == other ); 2026-07-11T21:19:39,357 | ^~~~~ 2026-07-11T21:19:39,358 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:39,359 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:39,360 | ^~~~~~~~ 2026-07-11T21:19:44,160 [84/480] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o 2026-07-11T21:19:44,162 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:23, 2026-07-11T21:19:44,163 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/conformersearch.h:25, 2026-07-11T21:19:44,164 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:20: 2026-07-11T21:19:44,165 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:44,166 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,167 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:44,168 | ^ 2026-07-11T21:19:44,169 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,171 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,172 | ^~~~~~~~~ 2026-07-11T21:19:44,173 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,174 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:44,176 | ^ 2026-07-11T21:19:44,177 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,178 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,179 | ^~~~~~~~~ 2026-07-11T21:19:44,180 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,181 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:44,182 | ^ 2026-07-11T21:19:44,183 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,184 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,184 | ^~~~~~~~~ 2026-07-11T21:19:44,185 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,186 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:44,187 | ^ 2026-07-11T21:19:44,189 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,190 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,191 | ^~~~~~~~~ 2026-07-11T21:19:44,192 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:44,193 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,195 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:44,196 | ^ 2026-07-11T21:19:44,197 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,198 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,199 | ^~~~~~~~~ 2026-07-11T21:19:44,200 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,201 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:44,202 | ^ 2026-07-11T21:19:44,203 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,204 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,206 | ^~~~~~~~~ 2026-07-11T21:19:44,207 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,208 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:44,209 | ^ 2026-07-11T21:19:44,210 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,211 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,217 | ^~~~~~~~~ 2026-07-11T21:19:44,236 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:44,237 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:44,238 | ^ 2026-07-11T21:19:44,239 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:44,240 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:44,241 | ^~~~~~~~~ 2026-07-11T21:19:44,242 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:19:44,243 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:19:44,244 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:19:44,245 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:19:44,246 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotamer.h:27, 2026-07-11T21:19:44,247 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/conformersearch.h:26: 2026-07-11T21:19:44,248 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:44,250 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:44,251 281 | return ! ( (*this) == other ); 2026-07-11T21:19:44,252 | ^~~~~ 2026-07-11T21:19:44,253 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:44,255 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:44,256 | ^~~~~~~~ 2026-07-11T21:19:44,257 In file included from /usr/include/c++/12/algorithm:61, 2026-07-11T21:19:44,258 from /tmp/pip-build-env-yv9ycce3/overlay/local/lib/python3.11/dist-packages/cmeel.prefix/include/eigen3/Eigen/Core:95, 2026-07-11T21:19:44,259 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/align.h:26, 2026-07-11T21:19:44,261 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:21: 2026-07-11T21:19:44,262 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Val_comp_iter]’: 2026-07-11T21:19:44,263 /usr/include/c++/12/bits/stl_algo.h:1782:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,264 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-07-11T21:19:44,266 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,267 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’: 2026-07-11T21:19:44,268 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,269 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:19:44,269 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,270 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,271 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Val_comp_iter]’: 2026-07-11T21:19:44,272 /usr/include/c++/12/bits/stl_algo.h:1782:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,274 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-07-11T21:19:44,275 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,276 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’: 2026-07-11T21:19:44,277 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,279 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:19:44,280 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,280 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,281 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-07-11T21:19:44,282 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Distance = int; _Tp = OpenBabel::ConformerScore; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’: 2026-07-11T21:19:44,284 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,285 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-07-11T21:19:44,286 | ^~~~~~~~~~~~~ 2026-07-11T21:19:44,287 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Distance = int; _Tp = OpenBabel::ConformerScore; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’: 2026-07-11T21:19:44,288 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,289 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:19:44,290 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:19:44,291 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/conformersearch.h:24: 2026-07-11T21:19:44,292 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:44,292 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:44,293 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:44,295 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,296 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:19:44,297 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:44,298 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:44,299 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,301 inlined from ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:259:19: 2026-07-11T21:19:44,302 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,304 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,305 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,306 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:44,308 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,309 inlined from ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:272:21: 2026-07-11T21:19:44,310 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,311 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,312 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,313 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:44,314 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,315 inlined from ‘virtual double OpenBabel::OBRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:115:19: 2026-07-11T21:19:44,317 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,318 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,319 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,320 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:19:44,321 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,322 inlined from ‘virtual double OpenBabel::OBRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:128:21: 2026-07-11T21:19:44,324 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,325 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,326 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,327 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’: 2026-07-11T21:19:44,328 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:44,329 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:44,331 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,332 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’: 2026-07-11T21:19:44,333 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,334 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:19:44,336 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,337 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,338 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,339 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:19:44,341 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,342 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’: 2026-07-11T21:19:44,344 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,346 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:19:44,347 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,353 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,354 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,355 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:19:44,356 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,357 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’, 2026-07-11T21:19:44,359 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,360 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:549:33: 2026-07-11T21:19:44,361 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,362 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,363 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,364 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,365 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerHighScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,366 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:558:16: 2026-07-11T21:19:44,367 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,368 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:19:44,369 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,370 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:19:44,371 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,372 1939 | __comp); 2026-07-11T21:19:44,374 | ~~~~~~~ 2026-07-11T21:19:44,375 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,375 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:19:44,376 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerHighScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,377 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:558:16: 2026-07-11T21:19:44,378 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,379 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:19:44,381 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,382 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,383 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:19:44,385 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,386 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,387 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerLowScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,389 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:560:16: 2026-07-11T21:19:44,390 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,391 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:19:44,392 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,393 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:19:44,394 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,395 1939 | __comp); 2026-07-11T21:19:44,396 | ~~~~~~~ 2026-07-11T21:19:44,397 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,398 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:19:44,399 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerLowScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,400 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:560:16: 2026-07-11T21:19:44,401 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,402 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:19:44,403 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,404 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,406 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:19:44,407 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,408 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’, 2026-07-11T21:19:44,409 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,410 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:978:35: 2026-07-11T21:19:44,412 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,413 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,414 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,415 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,417 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerHighScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,418 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:987:16: 2026-07-11T21:19:44,419 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,420 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:19:44,423 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,424 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:19:44,426 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,427 1939 | __comp); 2026-07-11T21:19:44,428 | ~~~~~~~ 2026-07-11T21:19:44,429 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,431 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:19:44,433 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerHighScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,434 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:987:16: 2026-07-11T21:19:44,436 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,438 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:19:44,440 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,440 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,441 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:19:44,443 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,444 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,445 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerLowScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,456 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:989:16: 2026-07-11T21:19:44,457 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,458 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:19:44,459 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,460 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:19:44,461 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,462 1939 | __comp); 2026-07-11T21:19:44,463 | ~~~~~~~ 2026-07-11T21:19:44,464 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-07-11T21:19:44,466 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:19:44,467 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator >; _Compare = OpenBabel::CompareConformerLowScore]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:44,468 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:989:16: 2026-07-11T21:19:44,468 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,469 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:19:44,470 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,472 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,473 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:19:44,474 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,475 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:19:44,476 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:44,477 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:997:27: 2026-07-11T21:19:44,478 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,479 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:44,480 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:44,481 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:19:44,482 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:19:44,484 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:44,485 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,487 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:44,487 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,488 inlined from ‘int OpenBabel::OBConformerSearch::share_fitness()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:1030:34: 2026-07-11T21:19:44,489 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,490 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,491 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,492 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:19:44,493 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:44,494 inlined from ‘int OpenBabel::OBConformerSearch::share_fitness()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/conformersearch.cpp:1033:34: 2026-07-11T21:19:44,495 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:19:44,496 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:44,498 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:44,499 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:19:44,500 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:46: 2026-07-11T21:19:44,501 /usr/include/c++/12/bits/stl_tree.h: In member function ‘std::pair std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(const_iterator, const key_type&) [with _Key = std::vector; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:19:44,502 /usr/include/c++/12/bits/stl_tree.h:2209:5: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:19:44,504 2209 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:19:44,505 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,400 [85/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o 2026-07-11T21:19:45,752 [86/480] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o 2026-07-11T21:19:45,753 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:45,754 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:19:45,755 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:21: 2026-07-11T21:19:45,756 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:45,758 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:45,759 281 | return ! ( (*this) == other ); 2026-07-11T21:19:45,759 | ^~~~~ 2026-07-11T21:19:45,760 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:45,761 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:45,762 | ^~~~~~~~ 2026-07-11T21:19:45,763 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:19:45,764 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:19:45,765 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:22: 2026-07-11T21:19:45,766 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:19:45,767 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,768 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:45,769 | ^ 2026-07-11T21:19:45,771 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,772 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,773 | ^~~~~~~~~ 2026-07-11T21:19:45,774 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,776 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:45,777 | ^ 2026-07-11T21:19:45,778 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,779 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,780 | ^~~~~~~~~ 2026-07-11T21:19:45,781 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,782 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:45,783 | ^ 2026-07-11T21:19:45,785 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,786 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,788 | ^~~~~~~~~ 2026-07-11T21:19:45,789 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,791 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:19:45,794 | ^ 2026-07-11T21:19:45,795 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,796 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,797 | ^~~~~~~~~ 2026-07-11T21:19:45,798 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:19:45,799 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,806 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:45,808 | ^ 2026-07-11T21:19:45,809 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,810 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,811 | ^~~~~~~~~ 2026-07-11T21:19:45,812 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,813 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:45,814 | ^ 2026-07-11T21:19:45,816 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,817 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,818 | ^~~~~~~~~ 2026-07-11T21:19:45,819 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,820 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:45,821 | ^ 2026-07-11T21:19:45,822 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,823 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,824 | ^~~~~~~~~ 2026-07-11T21:19:45,825 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:19:45,827 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:19:45,828 | ^ 2026-07-11T21:19:45,829 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:19:45,830 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:19:45,831 | ^~~~~~~~~ 2026-07-11T21:19:45,832 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:19:45,833 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:19:45,833 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:20: 2026-07-11T21:19:45,835 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const std::pair&}; _Tp = std::pair; _Alloc = std::allocator >]’: 2026-07-11T21:19:45,836 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:19:45,836 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:19:45,837 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,838 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’: 2026-07-11T21:19:45,839 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:19:45,840 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,841 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:45,842 inlined from ‘virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:1131:21: 2026-07-11T21:19:45,843 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,844 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:45,845 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,846 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,847 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:45,848 inlined from ‘virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:1132:21: 2026-07-11T21:19:45,849 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,850 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:45,851 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,853 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,854 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:45,855 inlined from ‘virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:1134:21: 2026-07-11T21:19:45,856 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,856 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:45,857 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,858 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,859 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:45,860 inlined from ‘virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:749:21: 2026-07-11T21:19:45,861 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,862 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:45,863 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,864 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,866 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:45,867 inlined from ‘virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:750:21: 2026-07-11T21:19:45,868 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,869 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:45,870 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,871 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,872 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:19:45,873 inlined from ‘virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:752:21: 2026-07-11T21:19:45,874 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,875 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:19:45,876 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,877 In file included from /usr/include/c++/12/algorithm:61, 2026-07-11T21:19:45,878 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:24: 2026-07-11T21:19:45,879 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:19:45,880 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,881 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:19:45,881 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,882 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,883 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:19:45,885 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,886 82 | __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b, 2026-07-11T21:19:45,887 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,888 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,889 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,890 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,891 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-07-11T21:19:45,893 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Distance = int; _Tp = pair; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:19:45,894 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,896 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-07-11T21:19:45,896 | ^~~~~~~~~~~~~ 2026-07-11T21:19:45,897 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:19:45,898 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,899 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:19:45,899 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,900 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,901 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:19:45,916 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1921:38: 2026-07-11T21:19:45,917 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,919 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-07-11T21:19:45,920 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,921 1888 | __comp); 2026-07-11T21:19:45,922 | ~~~~~~~ 2026-07-11T21:19:45,923 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,924 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’: 2026-07-11T21:19:45,925 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,926 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:19:45,928 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,928 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:19:45,929 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:19:45,930 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:552:31: 2026-07-11T21:19:45,931 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,933 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:19:45,934 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:19:45,935 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:19:45,936 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1921:38, 2026-07-11T21:19:45,937 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1937:25, 2026-07-11T21:19:45,938 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:45,939 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:554:9: 2026-07-11T21:19:45,940 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,941 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-07-11T21:19:45,942 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,943 1888 | __comp); 2026-07-11T21:19:45,944 | ~~~~~~~ 2026-07-11T21:19:45,945 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,946 In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:19:45,948 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1937:25, 2026-07-11T21:19:45,949 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:45,950 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:554:9: 2026-07-11T21:19:45,951 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,952 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:19:45,953 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,954 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’, 2026-07-11T21:19:45,955 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter&, const pair&)>]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:19:45,956 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = bool (*)(const pair&, const pair&)]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:19:45,957 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/depict/depict.cpp:554:9: 2026-07-11T21:19:45,958 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,959 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:19:45,960 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:45,961 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:19:45,962 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:19:45,964 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:19:48,560 [87/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o 2026-07-11T21:19:49,291 [88/480] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o 2026-07-11T21:19:49,291 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:19:49,292 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:19:49,293 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:19:49,294 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/spacegroup.cpp:21: 2026-07-11T21:19:49,295 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:49,296 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:49,297 281 | return ! ( (*this) == other ); 2026-07-11T21:19:49,298 | ^~~~~ 2026-07-11T21:19:49,299 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:49,300 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:49,301 | ^~~~~~~~ 2026-07-11T21:19:50,810 [89/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o 2026-07-11T21:19:54,402 [90/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o 2026-07-11T21:19:56,082 [91/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o 2026-07-11T21:19:59,122 [92/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o 2026-07-11T21:19:59,123 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:19:59,124 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/cistrans.cpp:3: 2026-07-11T21:19:59,125 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:19:59,127 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:19:59,128 281 | return ! ( (*this) == other ); 2026-07-11T21:19:59,129 | ^~~~~ 2026-07-11T21:19:59,130 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:19:59,131 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:19:59,132 | ^~~~~~~~ 2026-07-11T21:20:02,589 [93/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o 2026-07-11T21:20:02,590 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:02,592 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:20:02,593 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/gen3dstereohelper.cpp:31: 2026-07-11T21:20:02,594 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:02,595 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:02,596 281 | return ! ( (*this) == other ); 2026-07-11T21:20:02,597 | ^~~~~ 2026-07-11T21:20:02,598 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:02,599 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:02,600 | ^~~~~~~~ 2026-07-11T21:20:03,742 [94/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o 2026-07-11T21:20:03,743 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:03,744 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/facade.cpp:28: 2026-07-11T21:20:03,745 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:03,746 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:03,747 281 | return ! ( (*this) == other ); 2026-07-11T21:20:03,748 | ^~~~~ 2026-07-11T21:20:03,749 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:03,749 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:03,750 | ^~~~~~~~ 2026-07-11T21:20:04,340 [95/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o 2026-07-11T21:20:08,242 [96/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o 2026-07-11T21:20:13,595 [97/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o 2026-07-11T21:20:13,596 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:13,597 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/descriptors/groupcontrib.cpp:29: 2026-07-11T21:20:13,598 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:13,599 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:13,600 281 | return ! ( (*this) == other ); 2026-07-11T21:20:13,601 | ^~~~~ 2026-07-11T21:20:13,603 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:13,604 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:13,605 | ^~~~~~~~ 2026-07-11T21:20:13,606 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/descriptors/groupcontrib.cpp:31: 2026-07-11T21:20:13,607 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:13,608 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,609 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,610 | ^ 2026-07-11T21:20:13,611 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,612 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,613 | ^~~~~~~~~ 2026-07-11T21:20:13,614 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,614 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,615 | ^ 2026-07-11T21:20:13,616 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,617 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,618 | ^~~~~~~~~ 2026-07-11T21:20:13,619 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,621 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,622 | ^ 2026-07-11T21:20:13,622 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,623 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,624 | ^~~~~~~~~ 2026-07-11T21:20:13,626 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,627 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,636 | ^ 2026-07-11T21:20:13,637 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,638 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,639 | ^~~~~~~~~ 2026-07-11T21:20:13,640 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:13,641 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,642 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,643 | ^ 2026-07-11T21:20:13,644 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,645 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,646 | ^~~~~~~~~ 2026-07-11T21:20:13,647 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,648 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,649 | ^ 2026-07-11T21:20:13,650 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,651 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,651 | ^~~~~~~~~ 2026-07-11T21:20:13,652 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,653 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,654 | ^ 2026-07-11T21:20:13,655 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,656 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,657 | ^~~~~~~~~ 2026-07-11T21:20:13,658 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,659 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,660 | ^ 2026-07-11T21:20:13,661 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,662 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,663 | ^~~~~~~~~ 2026-07-11T21:20:13,918 [98/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o 2026-07-11T21:20:13,919 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/descriptors/filters.cpp:25: 2026-07-11T21:20:13,920 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:13,921 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,922 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,923 | ^ 2026-07-11T21:20:13,924 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,925 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,926 | ^~~~~~~~~ 2026-07-11T21:20:13,927 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,928 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,929 | ^ 2026-07-11T21:20:13,930 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,931 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,932 | ^~~~~~~~~ 2026-07-11T21:20:13,933 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,934 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,934 | ^ 2026-07-11T21:20:13,935 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,946 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,956 | ^~~~~~~~~ 2026-07-11T21:20:13,957 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,957 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:13,959 | ^ 2026-07-11T21:20:13,960 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,960 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,961 | ^~~~~~~~~ 2026-07-11T21:20:13,962 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:13,963 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,964 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,966 | ^ 2026-07-11T21:20:13,967 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,968 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,969 | ^~~~~~~~~ 2026-07-11T21:20:13,970 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,971 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,972 | ^ 2026-07-11T21:20:13,986 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:13,996 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:13,996 | ^~~~~~~~~ 2026-07-11T21:20:13,997 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:13,998 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:13,999 | ^ 2026-07-11T21:20:14,000 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,001 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,002 | ^~~~~~~~~ 2026-07-11T21:20:14,003 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,003 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:14,004 | ^ 2026-07-11T21:20:14,005 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,006 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,007 | ^~~~~~~~~ 2026-07-11T21:20:14,192 [99/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o 2026-07-11T21:20:14,193 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/descriptors/smartsdescriptors.cpp:23: 2026-07-11T21:20:14,194 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:14,195 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,196 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:14,197 | ^ 2026-07-11T21:20:14,198 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,199 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,200 | ^~~~~~~~~ 2026-07-11T21:20:14,201 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,202 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:14,203 | ^ 2026-07-11T21:20:14,204 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,205 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,206 | ^~~~~~~~~ 2026-07-11T21:20:14,207 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,208 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:14,209 | ^ 2026-07-11T21:20:14,210 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,211 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,212 | ^~~~~~~~~ 2026-07-11T21:20:14,213 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,214 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:14,215 | ^ 2026-07-11T21:20:14,216 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,218 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,219 | ^~~~~~~~~ 2026-07-11T21:20:14,220 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:14,221 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,222 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:14,224 | ^ 2026-07-11T21:20:14,225 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,226 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,227 | ^~~~~~~~~ 2026-07-11T21:20:14,228 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,229 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:14,230 | ^ 2026-07-11T21:20:14,231 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,232 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,233 | ^~~~~~~~~ 2026-07-11T21:20:14,234 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,235 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:14,236 | ^ 2026-07-11T21:20:14,240 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,241 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,241 | ^~~~~~~~~ 2026-07-11T21:20:14,242 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:14,243 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:14,244 | ^ 2026-07-11T21:20:14,245 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:14,246 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:14,246 | ^~~~~~~~~ 2026-07-11T21:20:18,359 [100/480] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o 2026-07-11T21:20:18,361 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/align.h:23, 2026-07-11T21:20:18,362 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:24: 2026-07-11T21:20:18,363 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:18,364 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:18,365 281 | return ! ( (*this) == other ); 2026-07-11T21:20:18,366 | ^~~~~ 2026-07-11T21:20:18,367 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:18,368 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:18,370 | ^~~~~~~~ 2026-07-11T21:20:18,371 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:20:18,372 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:21: 2026-07-11T21:20:18,373 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:20:18,374 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:18,375 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:18,376 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:18,378 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:20:18,379 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:18,380 inlined from ‘void OpenBabel::OBAlign::SetTargetMol(const OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:144:36: 2026-07-11T21:20:18,381 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:18,382 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:18,384 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:18,385 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:18,386 inlined from ‘void OpenBabel::OBAlign::SetRefMol(const OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:123:33: 2026-07-11T21:20:18,386 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:18,387 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:18,396 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:18,397 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:20:18,398 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:18,399 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:18,400 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:18,401 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:18,402 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:18,403 inlined from ‘std::vector OpenBabel::OBAlign::GetAlignment()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:382:33: 2026-07-11T21:20:18,404 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:18,405 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:18,406 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:18,407 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:18,408 inlined from ‘std::vector OpenBabel::OBAlign::GetAlignment()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:388:32: 2026-07-11T21:20:18,409 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:18,410 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:18,411 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:18,412 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:18,413 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:18,415 inlined from ‘std::vector OpenBabel::OBAlign::GetAlignment()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/math/align.cpp:405:33: 2026-07-11T21:20:18,416 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:18,417 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:18,418 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:21,643 [101/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o 2026-07-11T21:20:24,736 [102/480] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o 2026-07-11T21:20:24,737 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:24,738 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/fingerprints/finger2.cpp:22: 2026-07-11T21:20:24,739 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:24,740 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:24,741 281 | return ! ( (*this) == other ); 2026-07-11T21:20:24,742 | ^~~~~ 2026-07-11T21:20:24,743 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:24,744 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:24,745 | ^~~~~~~~ 2026-07-11T21:20:26,106 [103/480] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o 2026-07-11T21:20:26,107 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/fingerprints/finger3.cpp:20: 2026-07-11T21:20:26,108 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:26,109 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,110 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:26,111 | ^ 2026-07-11T21:20:26,112 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,113 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,114 | ^~~~~~~~~ 2026-07-11T21:20:26,115 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,116 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:26,117 | ^ 2026-07-11T21:20:26,118 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,119 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,121 | ^~~~~~~~~ 2026-07-11T21:20:26,122 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,123 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:26,124 | ^ 2026-07-11T21:20:26,125 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,126 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,126 | ^~~~~~~~~ 2026-07-11T21:20:26,127 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,128 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:26,129 | ^ 2026-07-11T21:20:26,129 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,130 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,131 | ^~~~~~~~~ 2026-07-11T21:20:26,132 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:26,133 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,134 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:26,135 | ^ 2026-07-11T21:20:26,136 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,137 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,138 | ^~~~~~~~~ 2026-07-11T21:20:26,139 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,140 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:26,141 | ^ 2026-07-11T21:20:26,142 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,143 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,144 | ^~~~~~~~~ 2026-07-11T21:20:26,145 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,146 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:26,147 | ^ 2026-07-11T21:20:26,148 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,149 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,150 | ^~~~~~~~~ 2026-07-11T21:20:26,151 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:26,151 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:26,152 | ^ 2026-07-11T21:20:26,153 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:26,154 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:26,166 | ^~~~~~~~~ 2026-07-11T21:20:29,283 [104/480] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o 2026-07-11T21:20:29,283 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:29,284 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/fingerprints/fingerecfp.cpp:17: 2026-07-11T21:20:29,285 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:29,286 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:29,287 281 | return ! ( (*this) == other ); 2026-07-11T21:20:29,288 | ^~~~~ 2026-07-11T21:20:29,289 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:29,290 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:29,292 | ^~~~~~~~ 2026-07-11T21:20:34,359 [105/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o 2026-07-11T21:20:34,361 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:34,362 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:29: 2026-07-11T21:20:34,363 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:34,364 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:34,365 281 | return ! ( (*this) == other ); 2026-07-11T21:20:34,366 | ^~~~~ 2026-07-11T21:20:34,367 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:34,368 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:34,369 | ^~~~~~~~ 2026-07-11T21:20:34,370 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:20:34,371 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:20:34,372 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:31: 2026-07-11T21:20:34,374 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:34,374 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,375 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:34,376 | ^ 2026-07-11T21:20:34,377 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,378 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,379 | ^~~~~~~~~ 2026-07-11T21:20:34,380 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,381 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:34,382 | ^ 2026-07-11T21:20:34,383 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,384 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,385 | ^~~~~~~~~ 2026-07-11T21:20:34,386 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,387 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:34,396 | ^ 2026-07-11T21:20:34,397 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,398 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,399 | ^~~~~~~~~ 2026-07-11T21:20:34,400 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,401 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:34,402 | ^ 2026-07-11T21:20:34,403 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,405 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,406 | ^~~~~~~~~ 2026-07-11T21:20:34,406 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:34,408 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,409 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:34,410 | ^ 2026-07-11T21:20:34,411 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,412 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,413 | ^~~~~~~~~ 2026-07-11T21:20:34,414 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,415 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:34,416 | ^ 2026-07-11T21:20:34,416 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,417 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,418 | ^~~~~~~~~ 2026-07-11T21:20:34,419 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,420 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:34,421 | ^ 2026-07-11T21:20:34,422 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,423 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,424 | ^~~~~~~~~ 2026-07-11T21:20:34,425 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:34,427 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:34,428 | ^ 2026-07-11T21:20:34,429 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:34,430 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:34,431 | ^~~~~~~~~ 2026-07-11T21:20:34,432 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:20:34,433 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/base.h:25, 2026-07-11T21:20:34,434 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:27, 2026-07-11T21:20:34,435 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/tetranonplanar.h:27, 2026-07-11T21:20:34,436 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/tetrahedral.h:27, 2026-07-11T21:20:34,437 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:26: 2026-07-11T21:20:34,446 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:20:34,447 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:34,448 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:34,449 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,450 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:20:34,451 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,452 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2736:27: 2026-07-11T21:20:34,453 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,454 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,455 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,456 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,456 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2750:27: 2026-07-11T21:20:34,457 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,458 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,459 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,461 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,462 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2761:27: 2026-07-11T21:20:34,463 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,464 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,465 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,466 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,467 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2775:27: 2026-07-11T21:20:34,468 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,469 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,470 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,471 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:20:34,472 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:34,473 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:34,474 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,475 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,476 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,477 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2161:28: 2026-07-11T21:20:34,478 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,479 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,480 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,481 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,482 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2163:28: 2026-07-11T21:20:34,483 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,496 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,497 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,498 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,499 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,500 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2167:30: 2026-07-11T21:20:34,501 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,502 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,503 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,504 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,505 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2169:30: 2026-07-11T21:20:34,506 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,508 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,508 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,509 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,510 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2194:28: 2026-07-11T21:20:34,511 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,512 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:34,513 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:34,514 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,515 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,516 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2246:29: 2026-07-11T21:20:34,517 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,518 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,519 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,520 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,521 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,522 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2248:29: 2026-07-11T21:20:34,524 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,525 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,526 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,527 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,528 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,529 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2256:29: 2026-07-11T21:20:34,530 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,531 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,531 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,532 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,533 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,534 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2258:29: 2026-07-11T21:20:34,535 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,536 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,537 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,537 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,538 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,539 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2274:29: 2026-07-11T21:20:34,540 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,541 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,542 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,543 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,544 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,545 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2276:29: 2026-07-11T21:20:34,546 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,547 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,548 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,549 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,566 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,567 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2283:29: 2026-07-11T21:20:34,568 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,569 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,570 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:34,570 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:20:34,571 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:34,572 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/stereo/perception.cpp:2285:29: 2026-07-11T21:20:34,573 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:34,575 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:34,576 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:39,774 [106/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o 2026-07-11T21:20:44,741 [107/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o 2026-07-11T21:20:50,056 [108/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o 2026-07-11T21:20:51,839 [109/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o 2026-07-11T21:20:51,840 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:51,841 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:20:51,842 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.h:23, 2026-07-11T21:20:51,843 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:23: 2026-07-11T21:20:51,844 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:51,845 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:51,846 281 | return ! ( (*this) == other ); 2026-07-11T21:20:51,847 | ^~~~~ 2026-07-11T21:20:51,848 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:51,849 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:51,850 | ^~~~~~~~ 2026-07-11T21:20:51,851 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:27: 2026-07-11T21:20:51,852 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:51,853 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,854 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:51,855 | ^ 2026-07-11T21:20:51,856 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,857 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,858 | ^~~~~~~~~ 2026-07-11T21:20:51,859 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,860 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:51,861 | ^ 2026-07-11T21:20:51,863 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,864 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,865 | ^~~~~~~~~ 2026-07-11T21:20:51,876 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,877 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:51,878 | ^ 2026-07-11T21:20:51,879 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,880 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,881 | ^~~~~~~~~ 2026-07-11T21:20:51,882 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,883 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:51,884 | ^ 2026-07-11T21:20:51,886 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,886 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,888 | ^~~~~~~~~ 2026-07-11T21:20:51,889 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:51,890 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,891 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:51,892 | ^ 2026-07-11T21:20:51,893 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,894 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,895 | ^~~~~~~~~ 2026-07-11T21:20:51,896 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,897 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:51,897 | ^ 2026-07-11T21:20:51,898 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,899 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,900 | ^~~~~~~~~ 2026-07-11T21:20:51,901 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,902 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:51,906 | ^ 2026-07-11T21:20:51,906 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,907 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,908 | ^~~~~~~~~ 2026-07-11T21:20:51,909 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:51,910 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:51,911 | ^ 2026-07-11T21:20:51,912 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:51,913 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:51,914 | ^~~~~~~~~ 2026-07-11T21:20:51,920 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:20:51,921 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:20:51,922 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:20: 2026-07-11T21:20:51,924 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationGhemical&}; _Tp = OpenBabel::OBFFBondCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,925 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:51,926 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:51,927 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:51,928 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationGhemical&}; _Tp = OpenBabel::OBFFAngleCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,929 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:51,930 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:20:51,931 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,932 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,933 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,936 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,937 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationGhemical&}; _Tp = OpenBabel::OBFFTorsionCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,938 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:51,939 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:51,939 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:51,941 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,956 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,957 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,958 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,958 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationGhemical&}; _Tp = OpenBabel::OBFFVDWCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,959 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:51,960 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:51,961 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:51,962 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationGhemical&}; _Tp = OpenBabel::OBFFElectrostaticCalculationGhemical; _Alloc = std::allocator]’: 2026-07-11T21:20:51,963 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:51,964 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGhemical; _Alloc = std::allocator]’, 2026-07-11T21:20:51,965 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:478:40: 2026-07-11T21:20:51,966 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,967 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,968 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,969 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGhemical; _Alloc = std::allocator]’, 2026-07-11T21:20:51,970 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:493:34: 2026-07-11T21:20:51,971 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,972 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,973 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,974 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGhemical; _Alloc = std::allocator]’, 2026-07-11T21:20:51,975 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:562:35: 2026-07-11T21:20:51,976 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,977 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,978 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,979 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGhemical; _Alloc = std::allocator]’, 2026-07-11T21:20:51,980 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:683:37: 2026-07-11T21:20:51,981 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,982 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,982 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,983 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationGhemical; _Alloc = std::allocator]’, 2026-07-11T21:20:51,984 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:787:33: 2026-07-11T21:20:51,985 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:51,986 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:51,987 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:51,988 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationGhemical; _Alloc = std::allocator]’, 2026-07-11T21:20:52,006 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:838:45: 2026-07-11T21:20:52,007 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,008 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:52,009 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:52,010 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:20:52,011 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:52,012 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:52,013 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,013 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,014 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,015 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:886:34: 2026-07-11T21:20:52,016 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,017 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,018 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,019 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,020 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,021 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:887:34: 2026-07-11T21:20:52,022 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,022 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,023 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,024 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,025 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,026 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:904:34: 2026-07-11T21:20:52,027 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,028 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,029 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,030 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,031 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,031 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:905:34: 2026-07-11T21:20:52,032 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,033 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,033 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,034 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,035 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,036 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:936:34: 2026-07-11T21:20:52,037 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,038 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,039 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,040 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,041 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,042 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:937:34: 2026-07-11T21:20:52,043 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,044 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,045 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:52,046 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:52,047 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:52,048 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldghemical.cpp:949:34: 2026-07-11T21:20:52,049 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:52,049 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:52,050 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:54,886 [110/480] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o 2026-07-11T21:20:54,887 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:54,887 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/distgeom.cpp:24: 2026-07-11T21:20:54,888 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:54,889 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:54,890 281 | return ! ( (*this) == other ); 2026-07-11T21:20:54,891 | ^~~~~ 2026-07-11T21:20:54,892 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:54,893 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:54,894 | ^~~~~~~~ 2026-07-11T21:20:54,894 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:20:54,895 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:20:54,897 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/distgeom.cpp:26: 2026-07-11T21:20:54,898 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:54,899 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,900 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:54,901 | ^ 2026-07-11T21:20:54,902 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,903 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,904 | ^~~~~~~~~ 2026-07-11T21:20:54,905 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,906 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:54,907 | ^ 2026-07-11T21:20:54,908 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,909 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,910 | ^~~~~~~~~ 2026-07-11T21:20:54,911 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,912 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:54,913 | ^ 2026-07-11T21:20:54,914 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,915 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,916 | ^~~~~~~~~ 2026-07-11T21:20:54,917 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,918 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:54,918 | ^ 2026-07-11T21:20:54,919 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,920 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,921 | ^~~~~~~~~ 2026-07-11T21:20:54,922 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:54,922 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,923 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:54,924 | ^ 2026-07-11T21:20:54,925 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,926 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,927 | ^~~~~~~~~ 2026-07-11T21:20:54,927 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,936 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:54,938 | ^ 2026-07-11T21:20:54,939 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,940 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,941 | ^~~~~~~~~ 2026-07-11T21:20:54,944 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,945 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:54,946 | ^ 2026-07-11T21:20:54,947 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,949 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,950 | ^~~~~~~~~ 2026-07-11T21:20:54,951 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:54,951 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:54,952 | ^ 2026-07-11T21:20:54,954 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:54,954 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:54,966 | ^~~~~~~~~ 2026-07-11T21:20:54,967 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:20:54,968 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:20:54,969 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/distgeom.h:24, 2026-07-11T21:20:54,970 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/distgeom.cpp:22: 2026-07-11T21:20:54,970 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::TetrahedralInfo&}; _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’: 2026-07-11T21:20:54,971 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:54,972 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:54,973 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:54,974 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:20:54,975 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’, 2026-07-11T21:20:54,977 inlined from ‘bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/distgeom.cpp:226:28: 2026-07-11T21:20:54,978 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:54,979 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:54,980 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:54,981 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’, 2026-07-11T21:20:54,983 inlined from ‘bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/distgeom.cpp:229:28: 2026-07-11T21:20:54,984 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:54,985 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:54,986 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:54,987 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’, 2026-07-11T21:20:54,988 inlined from ‘bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/distgeom.cpp:251:30: 2026-07-11T21:20:54,989 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:55,006 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:55,007 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:55,601 [111/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o 2026-07-11T21:20:55,988 [112/480] Linking CXX shared library lib/libopenbabel.so.8.0.0 2026-07-11T21:20:56,132 [113/480] Creating library symlink lib/libopenbabel.so.8 lib/libopenbabel.so 2026-07-11T21:20:56,923 [114/480] Linking CXX shared module lib/plugin_descriptors.so 2026-07-11T21:20:57,805 [115/480] Linking CXX shared module lib/plugin_fingerprints.so 2026-07-11T21:20:59,152 [116/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o 2026-07-11T21:20:59,153 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:59,154 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:20:59,155 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:22: 2026-07-11T21:20:59,156 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:59,158 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:59,159 281 | return ! ( (*this) == other ); 2026-07-11T21:20:59,160 | ^~~~~ 2026-07-11T21:20:59,161 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:59,162 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:59,163 | ^~~~~~~~ 2026-07-11T21:20:59,164 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:26: 2026-07-11T21:20:59,165 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:20:59,166 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,167 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:59,168 | ^ 2026-07-11T21:20:59,170 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,171 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,172 | ^~~~~~~~~ 2026-07-11T21:20:59,173 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,175 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:59,176 | ^ 2026-07-11T21:20:59,177 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,179 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,180 | ^~~~~~~~~ 2026-07-11T21:20:59,180 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,181 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:59,182 | ^ 2026-07-11T21:20:59,183 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,184 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,185 | ^~~~~~~~~ 2026-07-11T21:20:59,186 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,187 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:20:59,188 | ^ 2026-07-11T21:20:59,189 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,190 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,191 | ^~~~~~~~~ 2026-07-11T21:20:59,192 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:20:59,193 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,194 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:59,195 | ^ 2026-07-11T21:20:59,196 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,197 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,198 | ^~~~~~~~~ 2026-07-11T21:20:59,199 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,200 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:59,201 | ^ 2026-07-11T21:20:59,202 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,203 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,204 | ^~~~~~~~~ 2026-07-11T21:20:59,205 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,206 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:59,207 | ^ 2026-07-11T21:20:59,208 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,209 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,209 | ^~~~~~~~~ 2026-07-11T21:20:59,210 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:20:59,211 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:20:59,212 | ^ 2026-07-11T21:20:59,213 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:20:59,214 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:20:59,215 | ^~~~~~~~~ 2026-07-11T21:20:59,216 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:20:59,217 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:20:59,218 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:21: 2026-07-11T21:20:59,219 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationGaff&}; _Tp = OpenBabel::OBFFBondCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,220 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,222 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:59,223 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,224 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationGaff&}; _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,236 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,237 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationGaff&}; _Tp = OpenBabel::OBFFTorsionCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,238 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,239 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:20:59,240 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,241 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,242 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,243 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,247 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationGaff&}; _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,248 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,249 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:59,250 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,251 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,252 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,258 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,262 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,263 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationGaff&}; _Tp = OpenBabel::OBFFVDWCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,264 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,265 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:59,266 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,267 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationGaff&}; _Tp = OpenBabel::OBFFElectrostaticCalculationGaff; _Alloc = std::allocator]’: 2026-07-11T21:20:59,268 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,269 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,276 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:573:40: 2026-07-11T21:20:59,286 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,287 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,288 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,289 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,290 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:588:34: 2026-07-11T21:20:59,291 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,292 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,293 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,294 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,295 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:638:43: 2026-07-11T21:20:59,296 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,296 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,297 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,298 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,299 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:654:35: 2026-07-11T21:20:59,300 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,301 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,302 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,303 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,304 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:725:37: 2026-07-11T21:20:59,305 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,306 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,312 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,313 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,314 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:786:28: 2026-07-11T21:20:59,315 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,316 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,317 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,317 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,318 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:800:28: 2026-07-11T21:20:59,319 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,320 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,321 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,322 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,323 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:814:28: 2026-07-11T21:20:59,324 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,325 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,326 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,327 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,328 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:828:28: 2026-07-11T21:20:59,329 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,330 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,331 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,332 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,333 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:842:28: 2026-07-11T21:20:59,334 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,335 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,336 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,337 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,338 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:856:28: 2026-07-11T21:20:59,339 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,341 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,343 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,344 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,344 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:870:28: 2026-07-11T21:20:59,345 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,346 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,347 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,356 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,357 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1004:33: 2026-07-11T21:20:59,357 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,358 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,359 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,360 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationGaff; _Alloc = std::allocator]’, 2026-07-11T21:20:59,361 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1055:45: 2026-07-11T21:20:59,362 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,364 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:20:59,364 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:20:59,365 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:20:59,366 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:20:59,367 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:20:59,368 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,369 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,370 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,372 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1100:34: 2026-07-11T21:20:59,373 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,374 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,376 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,377 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,377 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,378 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1101:34: 2026-07-11T21:20:59,380 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,381 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,382 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,384 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,385 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,387 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1113:34: 2026-07-11T21:20:59,389 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,389 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,391 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,393 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,394 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,397 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1114:34: 2026-07-11T21:20:59,398 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,399 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,400 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,401 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,402 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,403 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1126:34: 2026-07-11T21:20:59,404 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,405 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,406 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,407 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,408 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,409 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1127:34: 2026-07-11T21:20:59,410 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,411 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,412 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,414 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,415 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,416 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1143:34: 2026-07-11T21:20:59,417 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,418 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,419 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,420 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,421 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,423 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1144:34: 2026-07-11T21:20:59,424 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,425 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,426 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,431 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,432 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,433 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1145:34: 2026-07-11T21:20:59,434 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,435 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,436 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,437 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,437 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,438 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1170:34: 2026-07-11T21:20:59,439 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,440 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,441 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,442 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,443 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,444 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1171:34: 2026-07-11T21:20:59,445 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,446 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,447 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,448 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,449 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,451 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1172:34: 2026-07-11T21:20:59,459 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,460 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,461 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,462 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,463 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,464 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1183:34: 2026-07-11T21:20:59,465 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,466 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,468 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,468 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,469 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,470 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1184:34: 2026-07-11T21:20:59,471 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,472 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,473 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,474 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,474 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,475 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1202:34: 2026-07-11T21:20:59,476 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,477 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,478 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,479 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:20:59,480 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:20:59,482 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldgaff.cpp:1203:34: 2026-07-11T21:20:59,483 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:20:59,484 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:20:59,485 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:20:59,486 [117/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o 2026-07-11T21:20:59,489 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:20:59,490 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:26, 2026-07-11T21:20:59,490 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/canonical.cpp:21: 2026-07-11T21:20:59,491 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:20:59,492 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:20:59,493 281 | return ! ( (*this) == other ); 2026-07-11T21:20:59,496 | ^~~~~ 2026-07-11T21:20:59,496 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:20:59,497 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:20:59,498 | ^~~~~~~~ 2026-07-11T21:21:02,937 [118/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o 2026-07-11T21:21:04,818 [119/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o 2026-07-11T21:21:05,791 [120/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o 2026-07-11T21:21:05,793 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:21:05,794 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:21:05,795 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:21:05,796 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:21:05,797 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/changecell.cpp:23: 2026-07-11T21:21:05,798 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:05,799 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:05,800 281 | return ! ( (*this) == other ); 2026-07-11T21:21:05,801 | ^~~~~ 2026-07-11T21:21:05,803 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:05,804 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:05,805 | ^~~~~~~~ 2026-07-11T21:21:06,727 [121/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o 2026-07-11T21:21:11,821 [122/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o 2026-07-11T21:21:11,823 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:11,824 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:24: 2026-07-11T21:21:11,825 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:11,826 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:11,827 281 | return ! ( (*this) == other ); 2026-07-11T21:21:11,828 | ^~~~~ 2026-07-11T21:21:11,829 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:11,830 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:11,831 | ^~~~~~~~ 2026-07-11T21:21:11,832 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:28: 2026-07-11T21:21:11,833 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:11,834 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,835 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:11,836 | ^ 2026-07-11T21:21:11,837 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,838 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,839 | ^~~~~~~~~ 2026-07-11T21:21:11,840 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,841 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:11,842 | ^ 2026-07-11T21:21:11,843 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,844 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,845 | ^~~~~~~~~ 2026-07-11T21:21:11,846 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,847 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:11,848 | ^ 2026-07-11T21:21:11,849 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,850 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,851 | ^~~~~~~~~ 2026-07-11T21:21:11,853 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,854 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:11,855 | ^ 2026-07-11T21:21:11,866 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,876 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,877 | ^~~~~~~~~ 2026-07-11T21:21:11,878 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:11,879 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,880 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:11,881 | ^ 2026-07-11T21:21:11,882 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,883 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,884 | ^~~~~~~~~ 2026-07-11T21:21:11,885 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,886 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:11,886 | ^ 2026-07-11T21:21:11,888 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,889 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,890 | ^~~~~~~~~ 2026-07-11T21:21:11,891 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,896 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:11,906 | ^ 2026-07-11T21:21:11,907 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,908 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,909 | ^~~~~~~~~ 2026-07-11T21:21:11,910 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,911 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:11,912 | ^ 2026-07-11T21:21:11,913 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:11,914 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:11,915 | ^~~~~~~~~ 2026-07-11T21:21:11,916 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp: In member function ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute()’: 2026-07-11T21:21:11,916 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,917 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-07-11T21:21:11,918 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-07-11T21:21:11,919 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.h:24, 2026-07-11T21:21:11,920 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:33: 2026-07-11T21:21:11,921 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1569:19: note: declared here 2026-07-11T21:21:11,926 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-07-11T21:21:11,936 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:11,937 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute() [with bool = true]’: 2026-07-11T21:21:11,938 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:556:37: required from ‘double OpenBabel::OBForceFieldUFF::E_Electrostatic() [with bool = true]’ 2026-07-11T21:21:11,938 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.h:199:47: required from here 2026-07-11T21:21:11,939 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,940 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-07-11T21:21:11,941 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-07-11T21:21:11,942 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1569:19: note: declared here 2026-07-11T21:21:11,943 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-07-11T21:21:11,944 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:11,945 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,946 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-07-11T21:21:11,947 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-07-11T21:21:11,948 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1569:19: note: declared here 2026-07-11T21:21:11,949 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-07-11T21:21:11,950 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:11,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute() [with bool = false]’: 2026-07-11T21:21:11,966 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:556:37: required from ‘double OpenBabel::OBForceFieldUFF::E_Electrostatic() [with bool = false]’ 2026-07-11T21:21:11,967 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.h:199:74: required from here 2026-07-11T21:21:11,968 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,968 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-07-11T21:21:11,969 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-07-11T21:21:11,970 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1569:19: note: declared here 2026-07-11T21:21:11,971 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-07-11T21:21:11,972 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:11,973 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:11,974 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-07-11T21:21:11,975 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-07-11T21:21:11,976 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:1569:19: note: declared here 2026-07-11T21:21:11,977 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-07-11T21:21:11,978 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:11,979 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:11,980 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:21:11,981 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:21: 2026-07-11T21:21:11,982 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationUFF&}; _Tp = OpenBabel::OBFFBondCalculationUFF; _Alloc = std::allocator]’: 2026-07-11T21:21:11,983 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:11,984 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:11,985 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:11,986 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationUFF&}; _Tp = OpenBabel::OBFFVDWCalculationUFF; _Alloc = std::allocator]’: 2026-07-11T21:21:11,987 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:11,989 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationUFF&}; _Tp = OpenBabel::OBFFAngleCalculationUFF; _Alloc = std::allocator]’: 2026-07-11T21:21:11,990 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:11,991 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationUFF&}; _Tp = OpenBabel::OBFFTorsionCalculationUFF; _Alloc = std::allocator]’: 2026-07-11T21:21:11,992 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:11,993 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationUFF&}; _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’: 2026-07-11T21:21:11,995 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:11,996 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:21:11,997 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:11,998 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:970:34: 2026-07-11T21:21:12,006 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,007 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,008 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,008 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,009 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1042:37: 2026-07-11T21:21:12,011 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,012 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,012 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,014 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,015 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1190:35: 2026-07-11T21:21:12,016 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,017 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,018 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,019 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,019 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1341:37: 2026-07-11T21:21:12,020 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,021 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,022 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,023 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,024 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1463:33: 2026-07-11T21:21:12,025 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,026 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,027 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,028 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,030 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1470:33: 2026-07-11T21:21:12,031 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,032 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,036 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,037 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,038 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1478:33: 2026-07-11T21:21:12,038 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,039 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,040 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,041 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,042 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1522:35: 2026-07-11T21:21:12,043 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,044 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,045 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,046 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationUFF&}; _Tp = OpenBabel::OBFFElectrostaticCalculationUFF; _Alloc = std::allocator]’: 2026-07-11T21:21:12,047 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:12,048 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:12,049 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,050 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationUFF; _Alloc = std::allocator]’, 2026-07-11T21:21:12,056 inlined from ‘bool OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1594:45: 2026-07-11T21:21:12,057 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,058 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:12,059 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:12,060 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:21:12,061 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:12,062 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:12,063 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,064 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,065 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,066 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1644:34: 2026-07-11T21:21:12,067 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,067 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,068 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,069 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,070 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,071 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1645:34: 2026-07-11T21:21:12,072 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,073 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,074 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,075 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,076 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,077 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1646:34: 2026-07-11T21:21:12,096 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,097 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,098 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,099 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,100 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,101 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1647:34: 2026-07-11T21:21:12,102 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,103 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,104 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,105 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,105 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,106 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1648:34: 2026-07-11T21:21:12,107 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,108 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,109 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,110 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,111 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,112 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1649:34: 2026-07-11T21:21:12,113 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,114 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,115 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,116 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,117 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,118 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1650:34: 2026-07-11T21:21:12,120 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,121 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,122 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,123 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,124 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,125 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1651:34: 2026-07-11T21:21:12,126 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,135 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,136 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,137 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,138 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,139 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1652:34: 2026-07-11T21:21:12,140 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,141 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,142 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,143 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,143 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,144 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1653:34: 2026-07-11T21:21:12,145 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,146 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,147 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:12,148 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:12,149 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:12,150 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefielduff.cpp:1654:34: 2026-07-11T21:21:12,151 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:12,152 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:12,153 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:13,992 [123/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o 2026-07-11T21:21:13,993 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:13,994 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/fillUC.cpp:22: 2026-07-11T21:21:13,995 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:13,997 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:13,998 281 | return ! ( (*this) == other ); 2026-07-11T21:21:13,999 | ^~~~~ 2026-07-11T21:21:14,000 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:14,001 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:14,002 | ^~~~~~~~ 2026-07-11T21:21:14,003 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:14,004 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:21:14,005 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:21:14,006 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/op.h:25, 2026-07-11T21:21:14,007 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/fillUC.cpp:20: 2026-07-11T21:21:14,008 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:21:14,009 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:14,010 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:14,011 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:14,013 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:21:14,014 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:14,015 inlined from ‘virtual bool OpenBabel::OpFillUC::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/fillUC.cpp:179:30: 2026-07-11T21:21:14,017 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:14,018 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:14,019 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,007 [124/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o 2026-07-11T21:21:16,008 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:16,009 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:21:16,010 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:35: 2026-07-11T21:21:16,012 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:16,013 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:16,014 281 | return ! ( (*this) == other ); 2026-07-11T21:21:16,015 | ^~~~~ 2026-07-11T21:21:16,016 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:16,017 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:16,018 | ^~~~~~~~ 2026-07-11T21:21:16,019 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:21:16,020 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:21:16,021 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:37: 2026-07-11T21:21:16,022 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:16,023 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,024 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:16,024 | ^ 2026-07-11T21:21:16,025 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,026 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,028 | ^~~~~~~~~ 2026-07-11T21:21:16,029 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,036 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:16,046 | ^ 2026-07-11T21:21:16,047 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,048 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,048 | ^~~~~~~~~ 2026-07-11T21:21:16,049 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,050 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:16,051 | ^ 2026-07-11T21:21:16,052 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,053 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,054 | ^~~~~~~~~ 2026-07-11T21:21:16,055 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,056 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:16,056 | ^ 2026-07-11T21:21:16,057 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,058 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,059 | ^~~~~~~~~ 2026-07-11T21:21:16,060 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:16,061 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,062 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:16,063 | ^ 2026-07-11T21:21:16,076 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,086 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,087 | ^~~~~~~~~ 2026-07-11T21:21:16,088 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,089 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:16,090 | ^ 2026-07-11T21:21:16,091 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,092 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,093 | ^~~~~~~~~ 2026-07-11T21:21:16,094 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,095 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:16,096 | ^ 2026-07-11T21:21:16,097 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,098 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,099 | ^~~~~~~~~ 2026-07-11T21:21:16,100 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:16,101 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:16,102 | ^ 2026-07-11T21:21:16,104 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:16,105 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:16,106 | ^~~~~~~~~ 2026-07-11T21:21:16,107 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:16,108 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:21:16,116 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:31: 2026-07-11T21:21:16,126 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationMMFF94&}; _Tp = OpenBabel::OBFFBondCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,127 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,128 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:16,129 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,130 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationMMFF94&}; _Tp = OpenBabel::OBFFAngleCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,131 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,132 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFStrBndCalculationMMFF94&}; _Tp = OpenBabel::OBFFStrBndCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,133 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,134 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationMMFF94&}; _Tp = OpenBabel::OBFFTorsionCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,135 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,136 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationMMFF94&}; _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,137 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,138 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationMMFF94&}; _Tp = OpenBabel::OBFFVDWCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,139 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,140 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationMMFF94&}; _Tp = OpenBabel::OBFFElectrostaticCalculationMMFF94; _Alloc = std::allocator]’: 2026-07-11T21:21:16,141 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,142 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:21:16,143 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,144 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:2765:38: 2026-07-11T21:21:16,145 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,156 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,166 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,167 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,168 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:2775:36: 2026-07-11T21:21:16,169 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,169 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,171 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,172 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,173 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:2934:35: 2026-07-11T21:21:16,174 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,175 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,176 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,177 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFStrBndCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,178 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3077:36: 2026-07-11T21:21:16,179 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,180 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,181 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,182 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,183 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3357:37: 2026-07-11T21:21:16,184 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,186 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,196 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,206 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,207 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3436:41: 2026-07-11T21:21:16,208 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,208 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,209 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,210 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,211 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3443:41: 2026-07-11T21:21:16,212 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,213 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,214 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,215 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,217 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3451:41: 2026-07-11T21:21:16,218 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,219 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,220 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,221 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,222 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3465:41: 2026-07-11T21:21:16,223 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,224 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,224 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,226 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,236 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3472:41: 2026-07-11T21:21:16,237 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,238 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,239 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,240 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,241 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3480:41: 2026-07-11T21:21:16,242 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,243 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,244 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,244 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,245 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3616:33: 2026-07-11T21:21:16,246 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,247 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,248 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,249 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationMMFF94; _Alloc = std::allocator]’, 2026-07-11T21:21:16,251 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:3678:45: 2026-07-11T21:21:16,252 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,253 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:16,254 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:16,255 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:21:16,257 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:16,258 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:16,258 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,260 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,261 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,262 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamPbci(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1270:32: 2026-07-11T21:21:16,263 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,264 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,265 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,266 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,266 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,267 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamPbci(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1271:32: 2026-07-11T21:21:16,268 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,269 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,270 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,271 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,272 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,273 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamCharge(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1238:32: 2026-07-11T21:21:16,274 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,275 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,276 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,277 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,278 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,279 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBndk(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:982:32: 2026-07-11T21:21:16,280 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,281 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,282 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,283 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,284 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,285 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBndk(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:983:32: 2026-07-11T21:21:16,286 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,288 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,296 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,297 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,297 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,298 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamOOP(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1125:32: 2026-07-11T21:21:16,299 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,300 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,301 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,302 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,303 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,304 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamDfsb(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1089:32: 2026-07-11T21:21:16,305 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,306 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,307 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,308 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,309 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,310 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamDfsb(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1090:32: 2026-07-11T21:21:16,311 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,312 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,313 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,314 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,315 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,316 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBond(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:948:32: 2026-07-11T21:21:16,317 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,318 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,319 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,320 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,321 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,322 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBond(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:949:32: 2026-07-11T21:21:16,323 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,324 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,325 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,326 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,327 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,328 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamStrBnd(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1054:32: 2026-07-11T21:21:16,329 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,330 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,331 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,333 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,334 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,335 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamStrBnd(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1055:32: 2026-07-11T21:21:16,336 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,337 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,338 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,339 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,340 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,341 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamAngle(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1018:32: 2026-07-11T21:21:16,342 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,344 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,345 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,345 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,346 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,347 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamAngle(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1019:32: 2026-07-11T21:21:16,348 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,349 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,350 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,366 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,367 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,368 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1195:32: 2026-07-11T21:21:16,369 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,370 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,371 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,372 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,374 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,375 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1196:32: 2026-07-11T21:21:16,375 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,376 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,377 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,378 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,379 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,380 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1197:32: 2026-07-11T21:21:16,381 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,383 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,383 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,384 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,385 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,386 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1198:32: 2026-07-11T21:21:16,387 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,388 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,389 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,390 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,391 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,392 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1161:32: 2026-07-11T21:21:16,393 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,394 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,395 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,396 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,406 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,407 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1162:32: 2026-07-11T21:21:16,408 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,410 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,411 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,412 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,413 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,414 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:1163:32: 2026-07-11T21:21:16,415 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,416 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,417 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,418 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,419 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,420 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4107:31: 2026-07-11T21:21:16,421 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,422 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,436 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,446 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,447 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,448 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4108:31: 2026-07-11T21:21:16,449 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,450 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,451 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,452 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,453 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,454 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4109:31: 2026-07-11T21:21:16,456 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,457 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,459 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,461 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,462 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,463 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4110:31: 2026-07-11T21:21:16,465 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,467 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,476 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,477 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,478 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,479 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4113:33: 2026-07-11T21:21:16,480 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,481 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,481 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,483 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,484 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,485 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4115:33: 2026-07-11T21:21:16,486 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,487 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,488 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,489 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,490 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,492 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4117:33: 2026-07-11T21:21:16,493 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,494 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,495 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,496 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,497 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,498 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4126:31: 2026-07-11T21:21:16,499 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,500 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,501 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,502 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,503 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,504 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4127:31: 2026-07-11T21:21:16,505 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,506 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,507 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,508 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,509 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,510 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4128:31: 2026-07-11T21:21:16,511 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,512 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,513 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,514 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,515 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,516 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4129:31: 2026-07-11T21:21:16,517 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,518 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,519 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,520 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,536 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,538 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4132:33: 2026-07-11T21:21:16,540 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,541 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,543 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,545 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,546 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,547 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4134:33: 2026-07-11T21:21:16,548 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,549 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,550 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,551 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,552 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,553 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4136:33: 2026-07-11T21:21:16,553 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,555 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,556 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,557 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:16,559 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:16,560 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/forcefields/forcefieldmmff94.cpp:4157:33: 2026-07-11T21:21:16,561 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:16,562 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:16,563 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:16,832 [125/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o 2026-07-11T21:21:16,990 [126/480] Linking CXX shared module lib/plugin_forcefields.so 2026-07-11T21:21:17,189 [127/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o 2026-07-11T21:21:17,190 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:17,191 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:21:17,191 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/gen3d.cpp:24: 2026-07-11T21:21:17,192 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:17,194 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:17,195 281 | return ! ( (*this) == other ); 2026-07-11T21:21:17,195 | ^~~~~ 2026-07-11T21:21:17,196 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:17,197 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:17,198 | ^~~~~~~~ 2026-07-11T21:21:17,232 [128/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o 2026-07-11T21:21:17,233 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:17,233 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:21:17,234 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/forcefield.cpp:33: 2026-07-11T21:21:17,235 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:17,236 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:17,236 281 | return ! ( (*this) == other ); 2026-07-11T21:21:17,237 | ^~~~~ 2026-07-11T21:21:17,238 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:17,239 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:17,240 | ^~~~~~~~ 2026-07-11T21:21:20,915 [129/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o 2026-07-11T21:21:20,916 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:20,917 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:26, 2026-07-11T21:21:20,918 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/neutralize.cpp:21: 2026-07-11T21:21:20,919 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:20,920 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:20,921 281 | return ! ( (*this) == other ); 2026-07-11T21:21:20,923 | ^~~~~ 2026-07-11T21:21:20,924 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:20,925 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:20,926 | ^~~~~~~~ 2026-07-11T21:21:21,262 [130/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o 2026-07-11T21:21:23,761 [131/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o 2026-07-11T21:21:23,762 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:23,764 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/partialcharges.cpp:22: 2026-07-11T21:21:23,765 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:23,766 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:23,767 281 | return ! ( (*this) == other ); 2026-07-11T21:21:23,768 | ^~~~~ 2026-07-11T21:21:23,769 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:23,769 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:23,770 | ^~~~~~~~ 2026-07-11T21:21:24,351 [132/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o 2026-07-11T21:21:26,789 [133/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o 2026-07-11T21:21:27,673 [134/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o 2026-07-11T21:21:27,674 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/phmodel.h:23, 2026-07-11T21:21:27,676 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/optransform.h:19, 2026-07-11T21:21:27,677 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/optransform.cpp:19: 2026-07-11T21:21:27,678 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:27,679 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,681 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:27,682 | ^ 2026-07-11T21:21:27,683 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,684 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,686 | ^~~~~~~~~ 2026-07-11T21:21:27,687 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,687 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:27,688 | ^ 2026-07-11T21:21:27,689 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,691 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,692 | ^~~~~~~~~ 2026-07-11T21:21:27,693 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,694 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:27,695 | ^ 2026-07-11T21:21:27,706 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,706 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,707 | ^~~~~~~~~ 2026-07-11T21:21:27,708 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,709 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:27,711 | ^ 2026-07-11T21:21:27,712 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,713 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,714 | ^~~~~~~~~ 2026-07-11T21:21:27,714 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:27,716 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,716 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:27,717 | ^ 2026-07-11T21:21:27,718 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,719 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,721 | ^~~~~~~~~ 2026-07-11T21:21:27,722 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,723 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:27,724 | ^ 2026-07-11T21:21:27,725 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,726 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,727 | ^~~~~~~~~ 2026-07-11T21:21:27,728 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,729 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:27,730 | ^ 2026-07-11T21:21:27,731 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,732 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,733 | ^~~~~~~~~ 2026-07-11T21:21:27,734 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:27,735 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:27,736 | ^ 2026-07-11T21:21:27,736 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:27,737 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:27,746 | ^~~~~~~~~ 2026-07-11T21:21:30,656 [135/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o 2026-07-11T21:21:32,471 [136/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o 2026-07-11T21:21:32,473 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/ophighlight.cpp:16: 2026-07-11T21:21:32,474 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:32,475 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,476 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:32,477 | ^ 2026-07-11T21:21:32,477 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,478 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,479 | ^~~~~~~~~ 2026-07-11T21:21:32,480 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,481 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:32,482 | ^ 2026-07-11T21:21:32,483 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,484 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,485 | ^~~~~~~~~ 2026-07-11T21:21:32,486 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,487 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:32,488 | ^ 2026-07-11T21:21:32,489 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,490 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,492 | ^~~~~~~~~ 2026-07-11T21:21:32,493 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,494 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:32,495 | ^ 2026-07-11T21:21:32,496 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,497 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,498 | ^~~~~~~~~ 2026-07-11T21:21:32,499 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:32,499 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,500 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:32,501 | ^ 2026-07-11T21:21:32,502 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,503 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,504 | ^~~~~~~~~ 2026-07-11T21:21:32,505 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,506 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:32,507 | ^ 2026-07-11T21:21:32,508 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,509 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,510 | ^~~~~~~~~ 2026-07-11T21:21:32,511 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,526 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:32,527 | ^ 2026-07-11T21:21:32,528 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,529 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,530 | ^~~~~~~~~ 2026-07-11T21:21:32,531 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:32,532 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:32,533 | ^ 2026-07-11T21:21:32,534 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:32,536 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:32,537 | ^~~~~~~~~ 2026-07-11T21:21:32,538 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:21:32,539 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:21:32,539 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:21:32,540 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:21:32,541 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/ophighlight.cpp:19: 2026-07-11T21:21:32,542 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:32,543 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:32,544 281 | return ! ( (*this) == other ); 2026-07-11T21:21:32,545 | ^~~~~ 2026-07-11T21:21:32,546 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:32,547 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:32,548 | ^~~~~~~~ 2026-07-11T21:21:35,739 [137/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o 2026-07-11T21:21:35,740 In file included from /usr/include/c++/12/bits/stl_algo.h:60, 2026-07-11T21:21:35,741 from /usr/include/c++/12/algorithm:61, 2026-07-11T21:21:35,742 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/deferred.h:5, 2026-07-11T21:21:35,743 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/sort.cpp:24: 2026-07-11T21:21:35,745 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Distance = int; _Tp = pair; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’: 2026-07-11T21:21:35,746 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,747 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-07-11T21:21:35,748 | ^~~~~~~~~~~~~ 2026-07-11T21:21:35,749 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:35,750 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:21:35,751 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:21:35,752 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/op.h:25, 2026-07-11T21:21:35,753 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/sort.cpp:19: 2026-07-11T21:21:35,754 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’: 2026-07-11T21:21:35,755 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:21:35,756 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:35,757 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,758 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’: 2026-07-11T21:21:35,759 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,760 82 | __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b, 2026-07-11T21:21:35,761 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,762 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,763 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,764 /usr/include/c++/12/bits/stl_algo.h:82:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,765 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’: 2026-07-11T21:21:35,766 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,767 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:21:35,776 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,786 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,787 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’, 2026-07-11T21:21:35,788 inlined from ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’ at /usr/include/c++/12/bits/stl_algo.h:1921:38: 2026-07-11T21:21:35,789 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,790 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-07-11T21:21:35,792 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,793 1888 | __comp); 2026-07-11T21:21:35,793 | ~~~~~~~ 2026-07-11T21:21:35,794 /usr/include/c++/12/bits/stl_algo.h:1887:34: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,795 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’: 2026-07-11T21:21:35,796 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,797 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:21:35,798 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,799 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Val_comp_iter >]’: 2026-07-11T21:21:35,800 /usr/include/c++/12/bits/stl_algo.h:1782:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,801 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-07-11T21:21:35,802 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,803 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’: 2026-07-11T21:21:35,804 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,816 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:21:35,826 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,827 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,828 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-07-11T21:21:35,829 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = std::pair; _Alloc = std::allocator >]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:35,830 inlined from ‘virtual bool OpenBabel::OpSort::ProcessVec(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/sort.cpp:120:23: 2026-07-11T21:21:35,831 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,832 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:35,833 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,834 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’, 2026-07-11T21:21:35,835 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = OpenBabel::Order]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:21:35,836 inlined from ‘virtual bool OpenBabel::OpSort::ProcessVec(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/sort.cpp:123:14: 2026-07-11T21:21:35,837 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,838 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:21:35,839 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,840 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:21:35,841 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,842 1939 | __comp); 2026-07-11T21:21:35,843 | ~~~~~~~ 2026-07-11T21:21:35,844 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’, 2026-07-11T21:21:35,845 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:21:35,846 inlined from ‘void std::sort(_RAIter, _RAIter, _Compare) [with _RAIter = __gnu_cxx::__normal_iterator*, vector > >; _Compare = OpenBabel::Order]’ at /usr/include/c++/12/bits/stl_algo.h:4853:18, 2026-07-11T21:21:35,847 inlined from ‘virtual bool OpenBabel::OpSort::ProcessVec(std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/sort.cpp:123:14: 2026-07-11T21:21:35,848 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,849 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:21:35,866 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:35,867 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:21:35,868 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:21:35,869 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:37,150 [138/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o 2026-07-11T21:21:37,151 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opisomorph.cpp:15: 2026-07-11T21:21:37,152 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:37,153 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,154 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:37,155 | ^ 2026-07-11T21:21:37,156 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,157 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,158 | ^~~~~~~~~ 2026-07-11T21:21:37,159 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,160 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:37,161 | ^ 2026-07-11T21:21:37,162 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,163 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,164 | ^~~~~~~~~ 2026-07-11T21:21:37,165 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,166 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:37,167 | ^ 2026-07-11T21:21:37,168 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,169 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,170 | ^~~~~~~~~ 2026-07-11T21:21:37,171 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,172 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:37,173 | ^ 2026-07-11T21:21:37,174 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,174 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,175 | ^~~~~~~~~ 2026-07-11T21:21:37,177 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:37,178 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,179 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:37,180 | ^ 2026-07-11T21:21:37,181 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,182 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,183 | ^~~~~~~~~ 2026-07-11T21:21:37,184 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,185 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:37,186 | ^ 2026-07-11T21:21:37,187 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,188 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,189 | ^~~~~~~~~ 2026-07-11T21:21:37,189 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,190 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:37,192 | ^ 2026-07-11T21:21:37,206 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,207 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,208 | ^~~~~~~~~ 2026-07-11T21:21:37,211 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:37,212 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:37,213 | ^ 2026-07-11T21:21:37,214 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:37,215 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:37,217 | ^~~~~~~~~ 2026-07-11T21:21:37,218 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:37,219 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:21:37,220 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/query.h:27, 2026-07-11T21:21:37,222 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opisomorph.h:18, 2026-07-11T21:21:37,223 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opisomorph.cpp:17: 2026-07-11T21:21:37,225 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:37,226 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:37,227 281 | return ! ( (*this) == other ); 2026-07-11T21:21:37,227 | ^~~~~ 2026-07-11T21:21:37,228 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:37,229 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:37,230 | ^~~~~~~~ 2026-07-11T21:21:39,702 [139/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o 2026-07-11T21:21:39,703 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:39,704 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:21:39,705 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opconfab.cpp:25: 2026-07-11T21:21:39,706 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:39,707 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:39,708 281 | return ! ( (*this) == other ); 2026-07-11T21:21:39,709 | ^~~~~ 2026-07-11T21:21:39,710 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:39,711 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:39,712 | ^~~~~~~~ 2026-07-11T21:21:40,878 [140/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o 2026-07-11T21:21:40,879 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:21:40,880 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/gasteiger.cpp:20: 2026-07-11T21:21:40,881 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:40,882 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:40,883 281 | return ! ( (*this) == other ); 2026-07-11T21:21:40,884 | ^~~~~ 2026-07-11T21:21:40,885 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:40,886 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:40,887 | ^~~~~~~~ 2026-07-11T21:21:41,603 [141/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o 2026-07-11T21:21:41,604 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:21:41,606 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:21:41,607 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/conformer.cpp:35: 2026-07-11T21:21:41,607 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:41,608 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:41,609 281 | return ! ( (*this) == other ); 2026-07-11T21:21:41,610 | ^~~~~ 2026-07-11T21:21:41,611 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:41,612 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:41,613 | ^~~~~~~~ 2026-07-11T21:21:41,614 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:23, 2026-07-11T21:21:41,615 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/conformersearch.h:25, 2026-07-11T21:21:41,616 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/conformer.cpp:37: 2026-07-11T21:21:41,617 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:41,618 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,619 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:41,620 | ^ 2026-07-11T21:21:41,621 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,622 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,623 | ^~~~~~~~~ 2026-07-11T21:21:41,624 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,626 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:41,627 | ^ 2026-07-11T21:21:41,628 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,629 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,630 | ^~~~~~~~~ 2026-07-11T21:21:41,631 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,632 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:41,633 | ^ 2026-07-11T21:21:41,634 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,635 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,637 | ^~~~~~~~~ 2026-07-11T21:21:41,646 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,647 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:41,648 | ^ 2026-07-11T21:21:41,649 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,650 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,651 | ^~~~~~~~~ 2026-07-11T21:21:41,652 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:41,653 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,653 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:41,654 | ^ 2026-07-11T21:21:41,655 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,656 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,658 | ^~~~~~~~~ 2026-07-11T21:21:41,659 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,660 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:41,661 | ^ 2026-07-11T21:21:41,661 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,663 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,664 | ^~~~~~~~~ 2026-07-11T21:21:41,665 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,666 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:41,667 | ^ 2026-07-11T21:21:41,676 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,677 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,678 | ^~~~~~~~~ 2026-07-11T21:21:41,679 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:41,681 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:41,682 | ^ 2026-07-11T21:21:41,683 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:41,683 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:41,684 | ^~~~~~~~~ 2026-07-11T21:21:43,094 [142/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o 2026-07-11T21:21:43,095 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:21:43,096 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/none.cpp:21: 2026-07-11T21:21:43,097 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:43,098 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:43,098 281 | return ! ( (*this) == other ); 2026-07-11T21:21:43,099 | ^~~~~ 2026-07-11T21:21:43,100 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:43,101 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:43,102 | ^~~~~~~~ 2026-07-11T21:21:43,461 [143/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o 2026-07-11T21:21:43,462 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:21:43,463 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eem.cpp:24: 2026-07-11T21:21:43,464 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:43,465 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:43,466 281 | return ! ( (*this) == other ); 2026-07-11T21:21:43,467 | ^~~~~ 2026-07-11T21:21:43,468 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:43,469 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:43,470 | ^~~~~~~~ 2026-07-11T21:21:43,471 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:43,472 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eem.cpp:20: 2026-07-11T21:21:43,473 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::EEMParameter&}; _Tp = OpenBabel::EEMParameter; _Alloc = std::allocator]’: 2026-07-11T21:21:43,475 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:43,483 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:43,484 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:43,485 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:21:43,486 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::EEMParameter; _Alloc = std::allocator]’, 2026-07-11T21:21:43,487 inlined from ‘void OpenBabel::EEMCharges::_loadParameters()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eem.cpp:114:28: 2026-07-11T21:21:43,488 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:43,489 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:43,490 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:44,208 [144/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o 2026-07-11T21:21:44,209 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/align.h:23, 2026-07-11T21:21:44,211 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opalign.cpp:22: 2026-07-11T21:21:44,212 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:44,217 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:44,218 281 | return ! ( (*this) == other ); 2026-07-11T21:21:44,218 | ^~~~~ 2026-07-11T21:21:44,219 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:44,221 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:44,222 | ^~~~~~~~ 2026-07-11T21:21:44,223 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opalign.cpp:24: 2026-07-11T21:21:44,224 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:21:44,225 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,226 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:44,227 | ^ 2026-07-11T21:21:44,229 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,230 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,231 | ^~~~~~~~~ 2026-07-11T21:21:44,232 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,233 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:44,234 | ^ 2026-07-11T21:21:44,235 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,237 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,238 | ^~~~~~~~~ 2026-07-11T21:21:44,239 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,241 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:44,241 | ^ 2026-07-11T21:21:44,242 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,243 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,244 | ^~~~~~~~~ 2026-07-11T21:21:44,245 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,246 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:21:44,246 | ^ 2026-07-11T21:21:44,247 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,248 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,249 | ^~~~~~~~~ 2026-07-11T21:21:44,250 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:21:44,251 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,252 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:44,253 | ^ 2026-07-11T21:21:44,254 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,255 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,256 | ^~~~~~~~~ 2026-07-11T21:21:44,261 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,262 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:44,262 | ^ 2026-07-11T21:21:44,263 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,264 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,265 | ^~~~~~~~~ 2026-07-11T21:21:44,266 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,267 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:44,268 | ^ 2026-07-11T21:21:44,269 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,271 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,272 | ^~~~~~~~~ 2026-07-11T21:21:44,274 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:21:44,275 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:21:44,276 | ^ 2026-07-11T21:21:44,277 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:21:44,279 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:21:44,280 | ^~~~~~~~~ 2026-07-11T21:21:44,283 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:44,284 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:21:44,285 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:21:44,286 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/op.h:25, 2026-07-11T21:21:44,287 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opalign.cpp:20: 2026-07-11T21:21:44,288 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:21:44,288 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:44,290 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:44,291 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:44,293 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:21:44,294 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:21:44,296 inlined from ‘virtual bool OpenBabel::OpAlign::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opalign.cpp:173:28: 2026-07-11T21:21:44,297 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:44,298 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:44,300 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:44,301 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:21:44,303 inlined from ‘virtual bool OpenBabel::OpAlign::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/ops/opalign.cpp:218:20: 2026-07-11T21:21:44,304 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:44,306 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:21:44,307 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:21:45,098 [145/480] Linking CXX shared module lib/plugin_ops.so 2026-07-11T21:21:48,689 [146/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o 2026-07-11T21:21:48,690 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:21:48,691 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/mmff94.cpp:20: 2026-07-11T21:21:48,693 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:48,694 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:48,695 281 | return ! ( (*this) == other ); 2026-07-11T21:21:48,696 | ^~~~~ 2026-07-11T21:21:48,697 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:48,697 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:48,698 | ^~~~~~~~ 2026-07-11T21:21:48,699 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:21:48,700 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:21:48,701 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:21:48,702 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:24: 2026-07-11T21:21:48,703 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:21:48,706 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:21:48,716 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:21:48,726 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:48,726 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:48,727 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:48,728 inlined from ‘virtual bool OpenBabel::MMFF94Charges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/mmff94.cpp:72:33: 2026-07-11T21:21:48,729 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:48,730 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:48,731 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:48,732 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:21:48,733 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:21:48,734 inlined from ‘virtual bool OpenBabel::MMFF94Charges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/mmff94.cpp:73:32: 2026-07-11T21:21:48,736 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:21:48,736 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:21:48,737 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,143 [147/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o 2026-07-11T21:21:56,144 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:21:56,145 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/fromfile.cpp:21: 2026-07-11T21:21:56,146 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:21:56,146 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:21:56,147 281 | return ! ( (*this) == other ); 2026-07-11T21:21:56,148 | ^~~~~ 2026-07-11T21:21:56,149 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:21:56,150 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:21:56,151 | ^~~~~~~~ 2026-07-11T21:21:56,152 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:21:56,153 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:27, 2026-07-11T21:21:56,154 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:24: 2026-07-11T21:21:56,155 /usr/include/c++/12/bits/stl_tree.h: In member function ‘std::pair std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:21:56,166 /usr/include/c++/12/bits/stl_tree.h:2209:5: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:21:56,167 2209 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:21:56,168 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,169 /usr/include/c++/12/bits/stl_tree.h: In function ‘std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple, std::allocator >&&>, std::tuple<>}; _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:21:56,170 /usr/include/c++/12/bits/stl_tree.h:2457:7: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:21:56,171 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:21:56,172 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,173 In file included from /usr/include/c++/12/map:61: 2026-07-11T21:21:56,174 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](key_type&&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:21:56,175 inlined from ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/fromfile.cpp:129:32: 2026-07-11T21:21:56,176 /usr/include/c++/12/bits/stl_map.h:530:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:21:56,177 530 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:21:56,178 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,179 531 | std::forward_as_tuple(std::move(__k)), 2026-07-11T21:21:56,180 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,181 532 | std::tuple<>()); 2026-07-11T21:21:56,182 | ~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,183 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](key_type&&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:21:56,184 inlined from ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/fromfile.cpp:137:32: 2026-07-11T21:21:56,185 /usr/include/c++/12/bits/stl_map.h:530:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:21:56,186 530 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:21:56,187 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,188 531 | std::forward_as_tuple(std::move(__k)), 2026-07-11T21:21:56,190 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:21:56,191 532 | std::tuple<>()); 2026-07-11T21:21:56,191 | ~~~~~~~~~~~~~~~ 2026-07-11T21:22:13,830 [148/480] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o 2026-07-11T21:22:13,831 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:13,832 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mol2format.cpp:19: 2026-07-11T21:22:13,832 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:13,833 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:13,834 281 | return ! ( (*this) == other ); 2026-07-11T21:22:13,835 | ^~~~~ 2026-07-11T21:22:13,836 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:13,837 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:13,838 | ^~~~~~~~ 2026-07-11T21:22:27,474 [149/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o 2026-07-11T21:22:27,474 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:22:27,475 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eqeq.h:22, 2026-07-11T21:22:27,476 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eqeq.cpp:21: 2026-07-11T21:22:27,477 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:27,478 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:27,479 281 | return ! ( (*this) == other ); 2026-07-11T21:22:27,480 | ^~~~~ 2026-07-11T21:22:27,481 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:27,482 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:27,483 | ^~~~~~~~ 2026-07-11T21:22:27,484 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:22:27,485 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:22:27,486 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:22:27,487 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:24: 2026-07-11T21:22:27,488 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:22:27,490 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:22:27,491 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:22:27,492 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:22:27,493 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:22:27,494 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:22:27,495 inlined from ‘virtual bool OpenBabel::EQEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eqeq.cpp:194:33: 2026-07-11T21:22:27,496 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:22:27,497 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:22:27,498 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:22:27,499 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:22:27,499 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:22:27,500 inlined from ‘virtual bool OpenBabel::EQEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/eqeq.cpp:195:32: 2026-07-11T21:22:27,501 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:22:27,502 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:22:27,503 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:22:29,851 [150/480] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o 2026-07-11T21:22:29,852 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:29,853 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdlformat.cpp:31: 2026-07-11T21:22:29,854 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:29,855 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:29,856 281 | return ! ( (*this) == other ); 2026-07-11T21:22:29,857 | ^~~~~ 2026-07-11T21:22:29,858 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:29,859 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:29,860 | ^~~~~~~~ 2026-07-11T21:22:30,340 [151/480] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o 2026-07-11T21:22:30,341 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:30,341 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/smilesformat.cpp:26: 2026-07-11T21:22:30,342 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:30,343 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:30,345 281 | return ! ( (*this) == other ); 2026-07-11T21:22:30,345 | ^~~~~ 2026-07-11T21:22:30,346 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:30,347 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:30,348 | ^~~~~~~~ 2026-07-11T21:22:32,835 [152/480] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o 2026-07-11T21:22:37,151 [153/480] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o 2026-07-11T21:22:37,152 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:37,153 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obfunctions.h:22, 2026-07-11T21:22:37,154 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbformat.cpp:18: 2026-07-11T21:22:37,155 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:37,156 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:37,157 281 | return ! ( (*this) == other ); 2026-07-11T21:22:37,158 | ^~~~~ 2026-07-11T21:22:37,159 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:37,160 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:37,161 | ^~~~~~~~ 2026-07-11T21:22:39,824 [154/480] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o 2026-07-11T21:22:39,825 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:39,826 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/asciiformat.cpp:21: 2026-07-11T21:22:39,827 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:39,828 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:39,829 281 | return ! ( (*this) == other ); 2026-07-11T21:22:39,830 | ^~~~~ 2026-07-11T21:22:39,831 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:39,832 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:39,833 | ^~~~~~~~ 2026-07-11T21:22:40,717 [155/480] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o 2026-07-11T21:22:43,839 [156/480] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o 2026-07-11T21:22:44,460 [157/480] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o 2026-07-11T21:22:48,785 [158/480] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o 2026-07-11T21:22:48,786 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:48,788 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/inchiformat.cpp:20: 2026-07-11T21:22:48,788 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:48,789 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:48,790 281 | return ! ( (*this) == other ); 2026-07-11T21:22:48,791 | ^~~~~ 2026-07-11T21:22:48,792 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:48,793 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:48,793 | ^~~~~~~~ 2026-07-11T21:22:48,889 [159/480] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o 2026-07-11T21:22:51,643 [160/480] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o 2026-07-11T21:22:51,644 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:51,645 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molreport.cpp:23: 2026-07-11T21:22:51,647 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:51,648 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:51,649 281 | return ! ( (*this) == other ); 2026-07-11T21:22:51,651 | ^~~~~ 2026-07-11T21:22:51,652 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:51,653 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:51,654 | ^~~~~~~~ 2026-07-11T21:22:52,972 [161/480] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o 2026-07-11T21:22:52,972 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:22:52,973 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/MNAformat.cpp:33: 2026-07-11T21:22:52,974 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:52,975 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:52,976 281 | return ! ( (*this) == other ); 2026-07-11T21:22:52,978 | ^~~~~ 2026-07-11T21:22:52,979 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:52,980 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:52,981 | ^~~~~~~~ 2026-07-11T21:22:52,982 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:22:52,983 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/ring.h:30, 2026-07-11T21:22:52,984 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/MNAformat.cpp:37: 2026-07-11T21:22:52,985 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:22:52,986 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:52,987 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:22:52,988 | ^ 2026-07-11T21:22:52,989 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:52,990 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:52,991 | ^~~~~~~~~ 2026-07-11T21:22:52,992 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:52,993 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:22:52,994 | ^ 2026-07-11T21:22:52,995 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,006 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,016 | ^~~~~~~~~ 2026-07-11T21:22:53,016 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:53,017 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:22:53,019 | ^ 2026-07-11T21:22:53,020 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,021 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,022 | ^~~~~~~~~ 2026-07-11T21:22:53,023 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:53,024 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:22:53,025 | ^ 2026-07-11T21:22:53,026 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,027 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,028 | ^~~~~~~~~ 2026-07-11T21:22:53,029 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:22:53,030 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:53,031 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:22:53,032 | ^ 2026-07-11T21:22:53,033 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,034 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,035 | ^~~~~~~~~ 2026-07-11T21:22:53,046 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:53,056 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:22:53,057 | ^ 2026-07-11T21:22:53,058 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,059 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,060 | ^~~~~~~~~ 2026-07-11T21:22:53,060 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:53,061 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:22:53,062 | ^ 2026-07-11T21:22:53,063 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,064 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,065 | ^~~~~~~~~ 2026-07-11T21:22:53,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:22:53,067 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:22:53,068 | ^ 2026-07-11T21:22:53,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:22:53,070 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:22:53,071 | ^~~~~~~~~ 2026-07-11T21:22:53,321 [162/480] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o 2026-07-11T21:22:56,062 [163/480] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o 2026-07-11T21:22:56,063 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/depict/depict.h:23, 2026-07-11T21:22:56,064 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/painterformat.cpp:22: 2026-07-11T21:22:56,065 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:22:56,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:22:56,067 281 | return ! ( (*this) == other ); 2026-07-11T21:22:56,068 | ^~~~~ 2026-07-11T21:22:56,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:22:56,070 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:22:56,071 | ^~~~~~~~ 2026-07-11T21:23:02,056 [164/480] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o 2026-07-11T21:23:02,057 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:02,058 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/reportformat.cpp:25: 2026-07-11T21:23:02,059 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:02,060 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:02,061 281 | return ! ( (*this) == other ); 2026-07-11T21:23:02,062 | ^~~~~ 2026-07-11T21:23:02,063 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:02,064 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:02,066 | ^~~~~~~~ 2026-07-11T21:23:03,962 [165/480] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o 2026-07-11T21:23:04,763 [166/480] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o 2026-07-11T21:23:04,764 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:04,765 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/povrayformat.cpp:25: 2026-07-11T21:23:04,766 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:04,767 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:04,768 281 | return ! ( (*this) == other ); 2026-07-11T21:23:04,769 | ^~~~~ 2026-07-11T21:23:04,770 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:04,771 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:04,776 | ^~~~~~~~ 2026-07-11T21:23:07,701 [167/480] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o 2026-07-11T21:23:07,702 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/depict/depict.h:23, 2026-07-11T21:23:07,703 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/svgformat.cpp:21: 2026-07-11T21:23:07,705 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:07,706 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:07,707 281 | return ! ( (*this) == other ); 2026-07-11T21:23:07,708 | ^~~~~ 2026-07-11T21:23:07,709 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:07,710 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:07,711 | ^~~~~~~~ 2026-07-11T21:23:07,984 [168/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o 2026-07-11T21:23:07,985 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:23:07,986 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qtpie.h:22, 2026-07-11T21:23:07,987 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qtpie.cpp:21: 2026-07-11T21:23:07,988 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:07,989 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:07,990 281 | return ! ( (*this) == other ); 2026-07-11T21:23:07,991 | ^~~~~ 2026-07-11T21:23:07,992 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:07,993 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:07,994 | ^~~~~~~~ 2026-07-11T21:23:07,995 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:07,996 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:23:07,997 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:23:07,998 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:24: 2026-07-11T21:23:07,999 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const Eigen::Matrix&}; _Tp = Eigen::Matrix; _Alloc = std::allocator >]’: 2026-07-11T21:23:08,000 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:23:08,001 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:08,002 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:08,003 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:23:08,004 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = Eigen::Matrix; _Alloc = std::allocator >]’, 2026-07-11T21:23:08,005 inlined from ‘void OpenBabel::QTPIECharges::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qtpie.cpp:141:28: 2026-07-11T21:23:08,006 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:23:08,007 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:08,008 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:08,009 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:08,010 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:08,011 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:08,012 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:08,013 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:08,014 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:08,015 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:08,016 inlined from ‘virtual bool OpenBabel::QTPIECharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qtpie.cpp:330:35: 2026-07-11T21:23:08,017 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:08,018 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:08,019 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:08,026 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:08,028 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:08,029 inlined from ‘virtual bool OpenBabel::QTPIECharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qtpie.cpp:331:34: 2026-07-11T21:23:08,031 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:08,033 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:08,034 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:09,282 [169/480] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o 2026-07-11T21:23:10,975 [170/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o 2026-07-11T21:23:10,976 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:25, 2026-07-11T21:23:10,977 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qeq.h:22, 2026-07-11T21:23:10,978 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qeq.cpp:21: 2026-07-11T21:23:10,979 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:10,980 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:10,981 281 | return ! ( (*this) == other ); 2026-07-11T21:23:10,982 | ^~~~~ 2026-07-11T21:23:10,983 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:10,984 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:10,984 | ^~~~~~~~ 2026-07-11T21:23:10,985 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:10,986 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/dlhandler.h:25, 2026-07-11T21:23:10,987 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/plugin.h:23, 2026-07-11T21:23:10,988 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/chargemodel.h:24: 2026-07-11T21:23:10,989 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const Eigen::Matrix&}; _Tp = Eigen::Matrix; _Alloc = std::allocator >]’: 2026-07-11T21:23:10,990 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-07-11T21:23:10,991 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:10,991 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:10,992 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:23:10,993 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = Eigen::Matrix; _Alloc = std::allocator >]’, 2026-07-11T21:23:10,994 inlined from ‘void OpenBabel::QEqCharges::ParseParamFile()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qeq.cpp:149:28: 2026-07-11T21:23:10,996 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator*, std::vector > >’ changed in GCC 7.1 2026-07-11T21:23:10,997 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:10,998 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:10,999 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:11,000 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:11,001 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:11,002 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:11,003 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:11,016 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:11,026 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:11,027 inlined from ‘virtual bool OpenBabel::QEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qeq.cpp:285:35: 2026-07-11T21:23:11,028 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:11,029 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:11,030 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:11,031 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:11,032 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:11,033 inlined from ‘virtual bool OpenBabel::QEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/charges/qeq.cpp:286:34: 2026-07-11T21:23:11,034 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:11,035 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:11,036 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:12,060 [171/480] Linking CXX shared module lib/plugin_charges.so 2026-07-11T21:23:14,493 [172/480] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o 2026-07-11T21:23:18,322 [173/480] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o 2026-07-11T21:23:18,323 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/align.h:23, 2026-07-11T21:23:18,324 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/confabreport.cpp:35: 2026-07-11T21:23:18,325 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:18,326 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:18,327 281 | return ! ( (*this) == other ); 2026-07-11T21:23:18,328 | ^~~~~ 2026-07-11T21:23:18,346 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:18,347 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:18,348 | ^~~~~~~~ 2026-07-11T21:23:18,349 In file included from /usr/include/c++/12/bits/stl_algo.h:60, 2026-07-11T21:23:18,350 from /usr/include/c++/12/algorithm:61, 2026-07-11T21:23:18,351 from /tmp/pip-build-env-yv9ycce3/overlay/local/lib/python3.11/dist-packages/cmeel.prefix/include/eigen3/Eigen/Core:95, 2026-07-11T21:23:18,352 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/align.h:26: 2026-07-11T21:23:18,353 /usr/include/c++/12/bits/stl_heap.h: In function ‘void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Distance = int; _Tp = double; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’: 2026-07-11T21:23:18,354 /usr/include/c++/12/bits/stl_heap.h:224:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,356 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-07-11T21:23:18,357 | ^~~~~~~~~~~~~ 2026-07-11T21:23:18,358 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’: 2026-07-11T21:23:18,359 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,360 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-07-11T21:23:18,362 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,363 /usr/include/c++/12/bits/stl_algo.h:1802:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,364 /usr/include/c++/12/bits/stl_algo.h: In function ‘void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’: 2026-07-11T21:23:18,365 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,366 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-07-11T21:23:18,367 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,368 /usr/include/c++/12/bits/stl_algo.h:1908:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,369 /usr/include/c++/12/bits/stl_algo.h:1922:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,370 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-07-11T21:23:18,371 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,372 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’, 2026-07-11T21:23:18,373 inlined from ‘void std::sort(_RAIter, _RAIter) [with _RAIter = __gnu_cxx::__normal_iterator >]’ at /usr/include/c++/12/bits/stl_algo.h:4820:18, 2026-07-11T21:23:18,374 inlined from ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/confabreport.cpp:112:9: 2026-07-11T21:23:18,375 /usr/include/c++/12/bits/stl_algo.h:1937:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,376 1937 | std::__introsort_loop(__first, __last, 2026-07-11T21:23:18,378 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,379 1938 | std::__lg(__last - __first) * 2, 2026-07-11T21:23:18,380 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,382 1939 | __comp); 2026-07-11T21:23:18,396 | ~~~~~~~ 2026-07-11T21:23:18,397 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’, 2026-07-11T21:23:18,398 inlined from ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’ at /usr/include/c++/12/bits/stl_algo.h:1940:31, 2026-07-11T21:23:18,399 inlined from ‘void std::sort(_RAIter, _RAIter) [with _RAIter = __gnu_cxx::__normal_iterator >]’ at /usr/include/c++/12/bits/stl_algo.h:4820:18, 2026-07-11T21:23:18,400 inlined from ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/confabreport.cpp:112:9: 2026-07-11T21:23:18,401 /usr/include/c++/12/bits/stl_algo.h:1849:32: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,402 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-07-11T21:23:18,403 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,404 /usr/include/c++/12/bits/stl_algo.h:1854:30: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,405 1854 | std::__insertion_sort(__first, __last, __comp); 2026-07-11T21:23:18,406 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,406 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:18,407 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:23:18,408 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:18,409 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/confabreport.cpp:34: 2026-07-11T21:23:18,410 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:18,411 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:18,412 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:18,413 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,414 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:18,415 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,416 inlined from ‘virtual bool OpenBabel::ConfabReport::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/confabreport.cpp:213:17: 2026-07-11T21:23:18,417 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,418 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,419 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,907 [174/480] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o 2026-07-11T21:23:18,909 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:18,910 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:22: 2026-07-11T21:23:18,911 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:18,912 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:18,913 281 | return ! ( (*this) == other ); 2026-07-11T21:23:18,914 | ^~~~~ 2026-07-11T21:23:18,915 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:18,916 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:18,917 | ^~~~~~~~ 2026-07-11T21:23:18,918 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:18,919 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:23:18,920 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:18,921 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:20: 2026-07-11T21:23:18,922 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:18,923 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:18,924 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:18,925 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,925 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:23:18,926 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:18,927 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:18,928 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,929 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:193:37: 2026-07-11T21:23:18,930 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,931 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,932 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,933 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:18,934 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,935 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:195:37: 2026-07-11T21:23:18,936 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,938 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,939 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,941 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:18,942 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,943 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:209:37: 2026-07-11T21:23:18,945 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,946 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,947 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,949 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:18,950 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,955 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:211:37: 2026-07-11T21:23:18,956 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,957 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,958 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,960 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:18,961 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,962 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:213:37: 2026-07-11T21:23:18,963 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,964 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,966 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:18,967 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:18,968 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:18,971 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acesformat.cpp:236:39: 2026-07-11T21:23:18,972 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:18,973 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:18,974 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:19,098 [175/480] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o 2026-07-11T21:23:19,100 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:19,100 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/abinitformat.cpp:18: 2026-07-11T21:23:19,101 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:19,102 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:19,103 281 | return ! ( (*this) == other ); 2026-07-11T21:23:19,104 | ^~~~~ 2026-07-11T21:23:19,105 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:19,106 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:19,107 | ^~~~~~~~ 2026-07-11T21:23:19,108 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:19,109 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:23:19,109 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:19,110 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/abinitformat.cpp:16: 2026-07-11T21:23:19,111 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:23:19,112 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:19,113 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:19,114 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:19,116 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:19,117 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:19,118 inlined from ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/abinitformat.cpp:138:27: 2026-07-11T21:23:19,119 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:19,120 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:19,121 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:19,122 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:19,123 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:19,124 inlined from ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/abinitformat.cpp:148:36: 2026-07-11T21:23:19,125 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:19,127 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:19,128 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,265 [176/480] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o 2026-07-11T21:23:24,266 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:24,267 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:19: 2026-07-11T21:23:24,268 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:24,269 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:24,270 281 | return ! ( (*this) == other ); 2026-07-11T21:23:24,271 | ^~~~~ 2026-07-11T21:23:24,271 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:24,272 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:24,273 | ^~~~~~~~ 2026-07-11T21:23:24,274 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:24,275 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:23:24,276 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:24,278 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:17: 2026-07-11T21:23:24,279 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:24,280 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:24,281 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:24,282 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,283 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:23:24,284 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:24,285 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:24,286 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:24,287 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:90:30: 2026-07-11T21:23:24,288 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:24,289 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:24,297 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,297 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:24,298 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:24,299 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:102:30: 2026-07-11T21:23:24,300 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:24,301 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:24,302 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,303 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:24,304 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:24,305 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:116:23: 2026-07-11T21:23:24,306 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:24,307 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:24,308 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,309 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:24,310 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:24,311 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:123:23: 2026-07-11T21:23:24,312 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:24,313 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:24,314 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,315 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:24,316 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:24,317 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:130:23: 2026-07-11T21:23:24,318 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:24,320 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:24,320 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,321 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:24,322 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:24,323 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/aoforceformat.cpp:144:28: 2026-07-11T21:23:24,324 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:24,325 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:24,326 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:24,877 [177/480] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o 2026-07-11T21:23:24,878 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:24,879 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/castepformat.cpp:18: 2026-07-11T21:23:24,880 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:24,881 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:24,882 281 | return ! ( (*this) == other ); 2026-07-11T21:23:24,883 | ^~~~~ 2026-07-11T21:23:24,884 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:24,885 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:24,886 | ^~~~~~~~ 2026-07-11T21:23:27,019 [178/480] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o 2026-07-11T21:23:27,020 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:27,021 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:38: 2026-07-11T21:23:27,022 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:27,023 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:27,025 281 | return ! ( (*this) == other ); 2026-07-11T21:23:27,026 | ^~~~~ 2026-07-11T21:23:27,027 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:27,028 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:27,029 | ^~~~~~~~ 2026-07-11T21:23:27,030 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:27,031 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:31: 2026-07-11T21:23:27,032 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:23:27,033 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:27,034 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:27,035 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,035 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:27,036 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:27,038 inlined from ‘virtual bool OpenBabel::ADFDftbFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:602:30: 2026-07-11T21:23:27,038 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:27,039 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:27,040 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,041 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:27,043 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:27,044 inlined from ‘virtual bool OpenBabel::ADFDftbFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:606:30: 2026-07-11T21:23:27,045 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:27,046 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:27,047 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,048 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:27,049 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:27,050 inlined from ‘virtual bool OpenBabel::ADFBandFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:460:28: 2026-07-11T21:23:27,051 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:27,052 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:27,054 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,056 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:27,066 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:27,067 inlined from ‘virtual bool OpenBabel::ADFBandFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:464:28: 2026-07-11T21:23:27,068 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:27,069 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:27,072 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,073 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::OBT41Format::AtomData}; _Tp = OpenBabel::OBT41Format::AtomData; _Alloc = std::allocator]’: 2026-07-11T21:23:27,074 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:27,075 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:27,076 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,077 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::OBT41Format::AtomData}; _Tp = OpenBabel::OBT41Format::AtomData; _Alloc = std::allocator]’, 2026-07-11T21:23:27,078 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::OBT41Format::AtomData; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:27,080 inlined from ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/adfformat.cpp:901:26: 2026-07-11T21:23:27,081 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:27,082 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:27,083 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:27,803 [179/480] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o 2026-07-11T21:23:27,804 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:27,805 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/dmolformat.cpp:18: 2026-07-11T21:23:27,806 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:27,807 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:27,808 281 | return ! ( (*this) == other ); 2026-07-11T21:23:27,810 | ^~~~~ 2026-07-11T21:23:27,810 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:27,811 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:27,812 | ^~~~~~~~ 2026-07-11T21:23:30,236 [180/480] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o 2026-07-11T21:23:30,237 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:30,238 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/daltonformat.cpp:17: 2026-07-11T21:23:30,239 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:30,240 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:30,241 281 | return ! ( (*this) == other ); 2026-07-11T21:23:30,242 | ^~~~~ 2026-07-11T21:23:30,243 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:30,244 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:30,245 | ^~~~~~~~ 2026-07-11T21:23:34,184 [181/480] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o 2026-07-11T21:23:34,185 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:34,186 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fhiaimsformat.cpp:17: 2026-07-11T21:23:34,186 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:34,187 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:34,188 281 | return ! ( (*this) == other ); 2026-07-11T21:23:34,189 | ^~~~~ 2026-07-11T21:23:34,190 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:34,191 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:34,192 | ^~~~~~~~ 2026-07-11T21:23:34,193 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:34,194 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:23:34,195 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:34,197 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fhiaimsformat.cpp:15: 2026-07-11T21:23:34,198 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:23:34,199 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:34,200 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:34,201 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:34,202 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:34,203 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:34,204 inlined from ‘virtual bool OpenBabel::FHIaimsFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fhiaimsformat.cpp:120:26: 2026-07-11T21:23:34,205 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:34,206 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:34,207 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,265 [182/480] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o 2026-07-11T21:23:37,266 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:37,267 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:23: 2026-07-11T21:23:37,268 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:37,269 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:37,270 281 | return ! ( (*this) == other ); 2026-07-11T21:23:37,271 | ^~~~~ 2026-07-11T21:23:37,272 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:37,273 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:37,274 | ^~~~~~~~ 2026-07-11T21:23:37,275 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:37,277 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:18: 2026-07-11T21:23:37,278 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:37,279 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:37,280 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:37,281 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,282 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:37,283 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:37,284 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:23:37,286 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:37,287 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:23:37,288 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:37,289 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:229:25: 2026-07-11T21:23:37,290 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,291 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:37,292 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:37,292 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:37,293 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:230:30: 2026-07-11T21:23:37,294 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,295 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:37,296 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:37,297 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:37,298 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,299 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:256:27: 2026-07-11T21:23:37,301 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,302 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,303 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,316 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:37,318 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,319 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:262:27: 2026-07-11T21:23:37,320 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,322 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,325 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,326 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:37,327 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,328 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:268:27: 2026-07-11T21:23:37,329 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,330 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,331 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,332 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:37,333 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,334 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:271:24: 2026-07-11T21:23:37,335 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,336 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,337 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,338 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:37,339 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,340 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:272:24: 2026-07-11T21:23:37,341 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,342 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,344 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,345 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:37,346 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,347 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:273:26: 2026-07-11T21:23:37,348 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,349 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,350 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,351 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:37,352 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,353 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:274:25: 2026-07-11T21:23:37,366 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,367 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,367 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,368 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:37,369 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,370 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:275:25: 2026-07-11T21:23:37,371 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,372 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,373 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:37,374 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:23:37,375 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:37,376 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crystal09format.cpp:276:24: 2026-07-11T21:23:37,377 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:37,378 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:37,379 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:42,637 [183/480] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o 2026-07-11T21:23:42,638 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:42,639 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fchkformat.cpp:27: 2026-07-11T21:23:42,640 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:42,642 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:42,643 281 | return ! ( (*this) == other ); 2026-07-11T21:23:42,644 | ^~~~~ 2026-07-11T21:23:42,645 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:42,646 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:42,647 | ^~~~~~~~ 2026-07-11T21:23:42,648 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:42,649 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:23:42,650 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fchkformat.cpp:23: 2026-07-11T21:23:42,656 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:42,657 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:42,658 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:42,659 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:42,660 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:23:42,661 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:42,662 inlined from ‘static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector&, unsigned int) [with T = double]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fchkformat.cpp:762:26: 2026-07-11T21:23:42,663 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:42,664 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:42,665 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:42,666 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:42,667 inlined from ‘static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector&, unsigned int) [with T = double]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fchkformat.cpp:784:20: 2026-07-11T21:23:42,668 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:42,669 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:42,670 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:42,671 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:42,672 inlined from ‘static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector&, unsigned int) [with T = double]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fchkformat.cpp:762:26, 2026-07-11T21:23:42,676 inlined from ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fchkformat.cpp:240:42: 2026-07-11T21:23:42,677 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:42,678 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:42,679 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:48,696 [184/480] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o 2026-07-11T21:23:48,698 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:48,698 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gausscubeformat.cpp:32: 2026-07-11T21:23:48,699 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:48,700 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:48,701 281 | return ! ( (*this) == other ); 2026-07-11T21:23:48,702 | ^~~~~ 2026-07-11T21:23:48,703 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:48,704 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:48,705 | ^~~~~~~~ 2026-07-11T21:23:48,706 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:23:48,707 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:23:48,709 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:48,710 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gausscubeformat.cpp:30: 2026-07-11T21:23:48,711 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:48,712 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:48,713 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:23:48,714 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:48,715 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:23:48,717 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:23:48,718 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:48,719 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:23:48,720 inlined from ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gausscubeformat.cpp:535:25: 2026-07-11T21:23:48,736 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:48,737 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:23:48,738 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:48,739 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:23:48,740 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:23:48,741 inlined from ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gausscubeformat.cpp:546:25: 2026-07-11T21:23:48,741 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:23:48,742 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:23:48,743 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:23:48,868 [185/480] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o 2026-07-11T21:23:48,869 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:48,870 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gulpformat.cpp:18: 2026-07-11T21:23:48,871 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:48,872 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:48,873 281 | return ! ( (*this) == other ); 2026-07-11T21:23:48,874 | ^~~~~ 2026-07-11T21:23:48,875 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:48,876 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:48,877 | ^~~~~~~~ 2026-07-11T21:23:50,029 [186/480] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o 2026-07-11T21:23:50,030 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:50,032 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gausszmatformat.cpp:18: 2026-07-11T21:23:50,033 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:50,034 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:50,035 281 | return ! ( (*this) == other ); 2026-07-11T21:23:50,036 | ^~~~~ 2026-07-11T21:23:50,037 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:50,038 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:50,040 | ^~~~~~~~ 2026-07-11T21:23:50,041 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:23:50,042 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:31, 2026-07-11T21:23:50,044 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:23:50,045 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gausszmatformat.cpp:16: 2026-07-11T21:23:50,047 /usr/include/c++/12/bits/stl_tree.h: In member function ‘std::pair std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:23:50,048 /usr/include/c++/12/bits/stl_tree.h:2209:5: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:23:50,049 2209 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:23:50,050 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:23:52,519 [187/480] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o 2026-07-11T21:23:52,519 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:52,520 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/hinformat.cpp:19: 2026-07-11T21:23:52,521 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:52,522 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:52,523 281 | return ! ( (*this) == other ); 2026-07-11T21:23:52,524 | ^~~~~ 2026-07-11T21:23:52,525 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:52,526 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:52,527 | ^~~~~~~~ 2026-07-11T21:23:59,943 [188/480] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o 2026-07-11T21:23:59,944 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:23:59,945 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/jaguarformat.cpp:19: 2026-07-11T21:23:59,946 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:23:59,947 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:23:59,948 281 | return ! ( (*this) == other ); 2026-07-11T21:23:59,949 | ^~~~~ 2026-07-11T21:23:59,951 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:23:59,952 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:23:59,953 | ^~~~~~~~ 2026-07-11T21:24:01,062 [189/480] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o 2026-07-11T21:24:01,063 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:01,064 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:21: 2026-07-11T21:24:01,065 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:01,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:01,067 281 | return ! ( (*this) == other ); 2026-07-11T21:24:01,068 | ^~~~~ 2026-07-11T21:24:01,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:01,069 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:01,070 | ^~~~~~~~ 2026-07-11T21:24:01,071 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:01,072 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:01,073 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:01,074 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:19: 2026-07-11T21:24:01,074 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:01,075 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:01,076 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:01,077 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,078 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:01,079 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:01,080 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:01,081 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,082 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,083 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,084 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:01,085 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:01,086 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:01,087 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,088 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:24:01,089 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,090 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:287:31: 2026-07-11T21:24:01,092 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,093 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,094 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,095 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,096 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:288:31: 2026-07-11T21:24:01,097 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,098 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,098 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,106 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,108 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:289:31: 2026-07-11T21:24:01,109 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,110 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,111 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,114 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,115 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:318:32: 2026-07-11T21:24:01,116 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,117 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,118 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,119 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,120 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:340:34: 2026-07-11T21:24:01,121 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,122 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,123 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,124 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,125 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:341:34: 2026-07-11T21:24:01,126 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,128 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,129 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,130 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,131 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:342:34: 2026-07-11T21:24:01,131 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,132 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,133 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,134 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,135 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:348:34: 2026-07-11T21:24:01,146 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,147 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,148 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,149 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,151 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:349:34: 2026-07-11T21:24:01,152 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,153 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,154 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,155 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,156 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:350:34: 2026-07-11T21:24:01,158 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,159 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,160 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,161 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,162 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:379:32: 2026-07-11T21:24:01,163 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,164 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,165 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,166 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,167 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:380:32: 2026-07-11T21:24:01,168 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,169 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,170 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,171 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,172 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:381:32: 2026-07-11T21:24:01,173 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,174 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,175 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,176 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,177 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:418:36: 2026-07-11T21:24:01,178 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,180 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,181 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,182 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,183 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:419:36: 2026-07-11T21:24:01,184 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,185 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,186 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,187 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,188 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:420:36: 2026-07-11T21:24:01,189 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,190 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:01,191 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:01,193 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,194 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,195 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:452:35: 2026-07-11T21:24:01,196 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,196 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,197 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,198 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,199 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,200 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:543:34: 2026-07-11T21:24:01,200 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,201 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,202 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,203 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,204 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,205 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:555:34: 2026-07-11T21:24:01,206 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,207 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,208 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,209 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,210 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,211 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:596:24: 2026-07-11T21:24:01,212 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,213 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,214 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,216 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,216 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,217 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:602:24: 2026-07-11T21:24:01,218 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,219 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,220 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,220 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,221 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,236 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:609:24: 2026-07-11T21:24:01,236 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,237 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,238 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,239 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:01,240 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,242 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:617:51: 2026-07-11T21:24:01,243 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,244 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,245 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:01,246 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:01,247 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:01,248 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessformat.cpp:643:31: 2026-07-11T21:24:01,249 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:01,250 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:01,252 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,470 [190/480] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o 2026-07-11T21:24:02,471 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:02,472 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:22: 2026-07-11T21:24:02,473 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:02,474 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:02,475 281 | return ! ( (*this) == other ); 2026-07-11T21:24:02,476 | ^~~~~ 2026-07-11T21:24:02,478 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:02,479 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:02,479 | ^~~~~~~~ 2026-07-11T21:24:02,480 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:02,481 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:02,482 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:02,483 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:20: 2026-07-11T21:24:02,484 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:02,486 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:02,487 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:02,489 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,490 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:02,491 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:02,506 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:02,507 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:02,508 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,509 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,510 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:197:33: 2026-07-11T21:24:02,511 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,513 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,514 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,514 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,515 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,516 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:199:33: 2026-07-11T21:24:02,517 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,518 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,519 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,520 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,521 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,522 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:206:33: 2026-07-11T21:24:02,523 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,524 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,525 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,526 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,527 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,528 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:214:28: 2026-07-11T21:24:02,529 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,530 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,531 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,532 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,534 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,535 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:218:28: 2026-07-11T21:24:02,537 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,539 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,540 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,541 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,546 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,546 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:222:28: 2026-07-11T21:24:02,547 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,548 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,550 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,550 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:02,552 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:02,553 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:226:33: 2026-07-11T21:24:02,556 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,557 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:02,558 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:02,559 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:24:02,560 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,561 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:233:36: 2026-07-11T21:24:02,562 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,563 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:02,564 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:02,565 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:02,573 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/molproformat.cpp:232:36: 2026-07-11T21:24:02,574 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:02,576 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:02,576 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:04,462 [191/480] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o 2026-07-11T21:24:04,463 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:04,464 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:21: 2026-07-11T21:24:04,465 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:04,466 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:04,467 281 | return ! ( (*this) == other ); 2026-07-11T21:24:04,468 | ^~~~~ 2026-07-11T21:24:04,469 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:04,470 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:04,471 | ^~~~~~~~ 2026-07-11T21:24:04,472 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:04,473 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/data.h:28, 2026-07-11T21:24:04,474 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:17: 2026-07-11T21:24:04,474 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:04,476 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:04,477 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:04,478 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,480 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:24:04,481 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:04,482 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,483 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:04,484 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:04,485 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:04,486 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:04,487 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:04,488 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,489 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:04,490 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,491 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,492 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,493 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:04,496 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:04,497 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:04,498 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,499 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,501 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:626:42: 2026-07-11T21:24:04,502 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,504 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:04,505 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:04,516 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,517 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:627:42: 2026-07-11T21:24:04,518 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,519 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:04,520 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:04,522 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,523 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:628:42: 2026-07-11T21:24:04,524 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,525 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:04,526 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:04,527 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,528 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,529 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:764:32: 2026-07-11T21:24:04,530 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,531 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,533 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,534 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,535 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,536 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:812:32: 2026-07-11T21:24:04,537 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,538 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,539 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,540 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,541 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,542 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:813:32: 2026-07-11T21:24:04,542 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,543 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,544 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,546 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,548 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,549 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:945:32: 2026-07-11T21:24:04,550 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,552 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,553 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,566 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:04,567 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,568 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:1016:31: 2026-07-11T21:24:04,569 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,570 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,572 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,573 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:04,574 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,575 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:1018:31: 2026-07-11T21:24:04,575 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,576 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,577 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,578 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:04,579 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:04,580 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:1020:31: 2026-07-11T21:24:04,581 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,581 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:04,582 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:04,583 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:04,584 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gaussformat.cpp:1341:39: 2026-07-11T21:24:04,585 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:04,586 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:04,587 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:11,163 [192/480] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o 2026-07-11T21:24:11,164 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:11,165 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pwscfformat.cpp:18: 2026-07-11T21:24:11,166 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:11,167 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:11,169 281 | return ! ( (*this) == other ); 2026-07-11T21:24:11,170 | ^~~~~ 2026-07-11T21:24:11,171 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:11,171 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:11,172 | ^~~~~~~~ 2026-07-11T21:24:12,487 [193/480] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o 2026-07-11T21:24:12,488 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:12,489 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:19: 2026-07-11T21:24:12,490 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:12,491 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:12,492 281 | return ! ( (*this) == other ); 2026-07-11T21:24:12,493 | ^~~~~ 2026-07-11T21:24:12,494 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:12,495 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:12,496 | ^~~~~~~~ 2026-07-11T21:24:12,497 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:12,498 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:12,499 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:12,500 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:17: 2026-07-11T21:24:12,501 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:12,502 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:12,503 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:12,504 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,505 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:12,506 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:12,508 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,509 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,510 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:292:42: 2026-07-11T21:24:12,511 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,512 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,513 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,514 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,514 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,515 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:318:34: 2026-07-11T21:24:12,516 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,517 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,518 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,519 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,520 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,521 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:340:34: 2026-07-11T21:24:12,522 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,525 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,526 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,527 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,528 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,529 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:385:36: 2026-07-11T21:24:12,530 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,546 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,547 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,548 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,549 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,550 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:410:28: 2026-07-11T21:24:12,551 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,552 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,553 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,554 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,555 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,556 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:416:28: 2026-07-11T21:24:12,557 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,558 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,559 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,560 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,560 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,561 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:423:28: 2026-07-11T21:24:12,575 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,586 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,587 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,588 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:12,589 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,590 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:430:59: 2026-07-11T21:24:12,591 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,592 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,593 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,594 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:12,596 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:12,597 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mopacformat.cpp:447:34: 2026-07-11T21:24:12,598 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:12,599 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:12,600 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:12,703 [194/480] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o 2026-07-11T21:24:12,704 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:12,705 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/turbomoleformat.cpp:20: 2026-07-11T21:24:12,706 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:12,707 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:12,707 281 | return ! ( (*this) == other ); 2026-07-11T21:24:12,708 | ^~~~~ 2026-07-11T21:24:12,709 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:12,710 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:12,711 | ^~~~~~~~ 2026-07-11T21:24:14,735 [195/480] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o 2026-07-11T21:24:14,736 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:14,738 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:20: 2026-07-11T21:24:14,739 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:14,740 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:14,741 281 | return ! ( (*this) == other ); 2026-07-11T21:24:14,742 | ^~~~~ 2026-07-11T21:24:14,743 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:14,744 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:14,745 | ^~~~~~~~ 2026-07-11T21:24:14,746 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:14,747 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:14,748 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:14,749 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:18: 2026-07-11T21:24:14,750 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:14,751 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:14,753 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:14,753 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:14,754 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:14,755 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:14,756 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:14,757 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:14,758 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:236:36: 2026-07-11T21:24:14,759 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:14,760 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:14,761 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:14,762 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:14,764 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:14,765 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:246:36: 2026-07-11T21:24:14,766 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:14,768 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:14,769 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:14,770 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:14,771 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:14,773 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:264:33: 2026-07-11T21:24:14,786 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:14,787 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:14,788 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:14,789 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:14,790 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:14,791 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:266:33: 2026-07-11T21:24:14,792 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:14,793 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:14,794 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:14,795 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:14,796 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:14,797 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/qchemformat.cpp:268:33: 2026-07-11T21:24:14,798 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:14,799 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:14,800 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:18,552 [196/480] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o 2026-07-11T21:24:18,553 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:18,554 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/siestaformat.cpp:18: 2026-07-11T21:24:18,555 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:18,556 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:18,558 281 | return ! ( (*this) == other ); 2026-07-11T21:24:18,559 | ^~~~~ 2026-07-11T21:24:18,560 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:18,561 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:18,562 | ^~~~~~~~ 2026-07-11T21:24:19,297 [197/480] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o 2026-07-11T21:24:19,298 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:19,299 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:19: 2026-07-11T21:24:19,300 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:19,301 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:19,303 281 | return ! ( (*this) == other ); 2026-07-11T21:24:19,304 | ^~~~~ 2026-07-11T21:24:19,305 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:19,306 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:19,307 | ^~~~~~~~ 2026-07-11T21:24:19,309 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:19,310 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:19,311 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:19,312 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:17: 2026-07-11T21:24:19,313 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBOrbital&}; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’: 2026-07-11T21:24:19,314 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:19,315 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:19,316 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,317 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:19,318 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:19,318 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:24:19,320 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,321 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:959:35: 2026-07-11T21:24:19,322 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,323 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:19,326 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:19,327 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:19,328 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:19,329 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:19,330 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,331 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,333 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,336 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:434:34: 2026-07-11T21:24:19,337 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,338 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,339 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,339 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,340 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,344 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:566:43: 2026-07-11T21:24:19,346 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,347 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,348 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,349 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,349 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,350 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:362:34: 2026-07-11T21:24:19,351 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,352 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,353 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,355 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,356 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,359 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:367:46: 2026-07-11T21:24:19,360 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,367 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,368 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,369 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,370 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,371 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:375:46: 2026-07-11T21:24:19,371 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,373 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,374 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,375 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:19,376 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:19,376 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:19,377 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,378 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,379 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,379 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadNEBCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:873:35: 2026-07-11T21:24:19,380 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,381 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,382 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,383 In file included from /usr/include/c++/12/vector:63: 2026-07-11T21:24:19,384 /usr/include/c++/12/bits/stl_uninitialized.h: In function ‘_ForwardIterator std::__do_uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’: 2026-07-11T21:24:19,393 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,394 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-07-11T21:24:19,395 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,396 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,397 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:24:19,398 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:24:19,399 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:24:19,400 inlined from ‘std::vector<_Tp, _Alloc>::pointer std::vector<_Tp, _Alloc>::_M_allocate_and_copy(size_type, _ForwardIterator, _ForwardIterator) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1617:35, 2026-07-11T21:24:19,401 inlined from ‘std::vector<_Tp, _Alloc>& std::vector<_Tp, _Alloc>::operator=(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/vector.tcc:232:44: 2026-07-11T21:24:19,402 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,403 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:24:19,404 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,405 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:24:19,406 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:24:19,407 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:24:19,408 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:24:19,409 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:918:15, 2026-07-11T21:24:19,410 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:925:41: 2026-07-11T21:24:19,411 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,412 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:24:19,413 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,414 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:24:19,415 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:24:19,426 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:24:19,427 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:24:19,428 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:918:15, 2026-07-11T21:24:19,429 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:925:41: 2026-07-11T21:24:19,430 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,431 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:24:19,432 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,433 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-07-11T21:24:19,434 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:498:31: 2026-07-11T21:24:19,435 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,436 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:19,436 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:19,437 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:24:19,438 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:24:19,439 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:24:19,440 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:24:19,441 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:509:43: 2026-07-11T21:24:19,443 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,443 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:24:19,444 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,445 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:24:19,446 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:24:19,447 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:24:19,448 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:24:19,449 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:518:46: 2026-07-11T21:24:19,450 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,451 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:24:19,452 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,453 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:24:19,454 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:24:19,455 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:24:19,456 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:24:19,457 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:520:47: 2026-07-11T21:24:19,458 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,459 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:24:19,460 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,461 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,462 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,462 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadGeometryOptimizationCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:622:35: 2026-07-11T21:24:19,463 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,464 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,465 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,466 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,467 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,468 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:676:31: 2026-07-11T21:24:19,469 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,470 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,471 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,472 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,473 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,474 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:685:32: 2026-07-11T21:24:19,475 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,476 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,477 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,478 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,479 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,480 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:689:32: 2026-07-11T21:24:19,480 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,481 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,482 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,483 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,484 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,485 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:693:32: 2026-07-11T21:24:19,486 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,486 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,487 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,488 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:19,489 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,490 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:701:37: 2026-07-11T21:24:19,491 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,492 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,493 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,494 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,495 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:708:38: 2026-07-11T21:24:19,496 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,497 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:19,498 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:19,499 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:19,500 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:19,501 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/nwchemformat.cpp:722:42: 2026-07-11T21:24:19,503 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:19,503 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:19,504 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:19,983 [198/480] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o 2026-07-11T21:24:19,984 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:19,985 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/zindoformat.cpp:18: 2026-07-11T21:24:19,986 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:19,987 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:19,988 281 | return ! ( (*this) == other ); 2026-07-11T21:24:19,988 | ^~~~~ 2026-07-11T21:24:19,989 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:19,990 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:19,991 | ^~~~~~~~ 2026-07-11T21:24:24,113 [199/480] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o 2026-07-11T21:24:24,114 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:24,114 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xsfformat.cpp:18: 2026-07-11T21:24:24,115 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:24,117 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:24,118 281 | return ! ( (*this) == other ); 2026-07-11T21:24:24,119 | ^~~~~ 2026-07-11T21:24:24,120 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:24,121 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:24,122 | ^~~~~~~~ 2026-07-11T21:24:24,123 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:24,124 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:24,125 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:24,127 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xsfformat.cpp:16: 2026-07-11T21:24:24,128 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:24,130 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:24,131 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:24,132 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:24,156 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:24,157 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:24,157 inlined from ‘virtual bool OpenBabel::XSFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xsfformat.cpp:119:36: 2026-07-11T21:24:24,158 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:24,159 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:24,160 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:24,161 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:24,162 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:24,163 inlined from ‘virtual bool OpenBabel::XSFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xsfformat.cpp:164:36: 2026-07-11T21:24:24,164 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:24,165 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:24,166 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:24,222 [200/480] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o 2026-07-11T21:24:26,044 [201/480] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o 2026-07-11T21:24:26,045 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:26,046 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/CSRformat.cpp:19: 2026-07-11T21:24:26,047 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:26,048 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:26,049 281 | return ! ( (*this) == other ); 2026-07-11T21:24:26,050 | ^~~~~ 2026-07-11T21:24:26,051 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:26,052 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:26,054 | ^~~~~~~~ 2026-07-11T21:24:31,725 [202/480] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o 2026-07-11T21:24:31,726 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:31,727 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/PQSformat.cpp:18: 2026-07-11T21:24:31,728 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:31,729 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:31,730 281 | return ! ( (*this) == other ); 2026-07-11T21:24:31,731 | ^~~~~ 2026-07-11T21:24:31,732 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:31,733 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:31,734 | ^~~~~~~~ 2026-07-11T21:24:32,832 [203/480] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o 2026-07-11T21:24:32,833 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:32,834 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/alchemyformat.cpp:19: 2026-07-11T21:24:32,835 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:32,836 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:32,837 281 | return ! ( (*this) == other ); 2026-07-11T21:24:32,838 | ^~~~~ 2026-07-11T21:24:32,839 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:32,840 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:32,842 | ^~~~~~~~ 2026-07-11T21:24:38,583 [204/480] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o 2026-07-11T21:24:38,584 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:38,585 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/acrformat.cpp:24: 2026-07-11T21:24:38,586 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:38,588 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:38,589 281 | return ! ( (*this) == other ); 2026-07-11T21:24:38,590 | ^~~~~ 2026-07-11T21:24:38,592 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:38,593 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:38,594 | ^~~~~~~~ 2026-07-11T21:24:39,929 [205/480] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o 2026-07-11T21:24:39,930 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:39,931 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:18: 2026-07-11T21:24:39,932 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:39,933 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:39,934 281 | return ! ( (*this) == other ); 2026-07-11T21:24:39,935 | ^~~~~ 2026-07-11T21:24:39,936 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:39,937 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:39,938 | ^~~~~~~~ 2026-07-11T21:24:39,939 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:24:39,940 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:24:39,941 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:24:39,942 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:16: 2026-07-11T21:24:39,943 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::matrix3x3&}; _Tp = OpenBabel::matrix3x3; _Alloc = std::allocator]’: 2026-07-11T21:24:39,944 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:39,945 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:24:39,947 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:39,950 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:24:39,951 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:39,952 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:24:39,953 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:24:39,954 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:39,956 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:39,957 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:418:27: 2026-07-11T21:24:39,958 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:39,959 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:39,961 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:39,962 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:39,966 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:39,967 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:419:28: 2026-07-11T21:24:39,968 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:39,970 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:39,972 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:39,973 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:39,986 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:39,987 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:420:30: 2026-07-11T21:24:39,990 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:39,991 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:39,992 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:39,993 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:39,994 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:39,995 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:473:36: 2026-07-11T21:24:39,997 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:39,998 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:39,999 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:40,000 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:40,001 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:40,002 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:476:36: 2026-07-11T21:24:40,003 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:40,004 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:40,006 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:40,007 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:40,008 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:40,009 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:489:28: 2026-07-11T21:24:40,010 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:40,011 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:40,012 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:40,013 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:24:40,014 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:40,015 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:516:30: 2026-07-11T21:24:40,016 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:40,017 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:40,018 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:40,026 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:24:40,027 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::matrix3x3; _Alloc = std::allocator]’, 2026-07-11T21:24:40,028 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:538:30: 2026-07-11T21:24:40,029 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:40,030 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:24:40,031 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:24:40,032 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:24:40,033 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:24:40,034 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/vaspformat.cpp:605:30: 2026-07-11T21:24:40,035 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:24:40,037 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:24:40,037 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:24:40,038 [206/480] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o 2026-07-11T21:24:40,039 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:40,040 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/amberformat.cpp:19: 2026-07-11T21:24:40,041 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:40,042 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:40,043 281 | return ! ( (*this) == other ); 2026-07-11T21:24:40,043 | ^~~~~ 2026-07-11T21:24:40,044 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:40,045 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:40,046 | ^~~~~~~~ 2026-07-11T21:24:47,814 [207/480] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o 2026-07-11T21:24:47,815 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:47,816 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/balstformat.cpp:19: 2026-07-11T21:24:47,817 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:47,818 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:47,819 281 | return ! ( (*this) == other ); 2026-07-11T21:24:47,821 | ^~~~~ 2026-07-11T21:24:47,822 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:47,823 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:47,824 | ^~~~~~~~ 2026-07-11T21:24:49,393 [208/480] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o 2026-07-11T21:24:49,394 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:49,395 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/boxformat.cpp:19: 2026-07-11T21:24:49,396 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:49,397 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:49,398 281 | return ! ( (*this) == other ); 2026-07-11T21:24:49,399 | ^~~~~ 2026-07-11T21:24:49,400 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:49,402 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:49,403 | ^~~~~~~~ 2026-07-11T21:24:49,562 [209/480] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o 2026-07-11T21:24:49,563 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:49,564 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/bgfformat.cpp:19: 2026-07-11T21:24:49,564 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:49,566 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:49,567 281 | return ! ( (*this) == other ); 2026-07-11T21:24:49,568 | ^~~~~ 2026-07-11T21:24:49,569 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:49,570 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:49,571 | ^~~~~~~~ 2026-07-11T21:24:55,519 [210/480] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o 2026-07-11T21:24:55,519 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:55,520 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cacheformat.cpp:18: 2026-07-11T21:24:55,521 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:55,522 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:55,523 281 | return ! ( (*this) == other ); 2026-07-11T21:24:55,524 | ^~~~~ 2026-07-11T21:24:55,526 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:55,527 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:55,528 | ^~~~~~~~ 2026-07-11T21:24:55,660 [211/480] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o 2026-07-11T21:24:55,661 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:55,662 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/MCDLformat.cpp:23: 2026-07-11T21:24:55,663 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:55,664 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:55,665 281 | return ! ( (*this) == other ); 2026-07-11T21:24:55,666 | ^~~~~ 2026-07-11T21:24:55,667 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:55,668 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:55,669 | ^~~~~~~~ 2026-07-11T21:24:59,771 [212/480] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o 2026-07-11T21:24:59,772 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:59,773 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cacaoformat.cpp:19: 2026-07-11T21:24:59,774 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:59,775 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:59,776 281 | return ! ( (*this) == other ); 2026-07-11T21:24:59,777 | ^~~~~ 2026-07-11T21:24:59,778 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:59,779 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:59,779 | ^~~~~~~~ 2026-07-11T21:24:59,874 [213/480] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o 2026-07-11T21:24:59,875 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:24:59,876 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/carformat.cpp:20: 2026-07-11T21:24:59,876 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:24:59,877 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:24:59,878 281 | return ! ( (*this) == other ); 2026-07-11T21:24:59,879 | ^~~~~ 2026-07-11T21:24:59,880 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:24:59,881 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:24:59,883 | ^~~~~~~~ 2026-07-11T21:25:01,794 [214/480] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o 2026-07-11T21:25:01,795 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:01,796 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cccformat.cpp:19: 2026-07-11T21:25:01,797 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:01,798 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:01,799 281 | return ! ( (*this) == other ); 2026-07-11T21:25:01,800 | ^~~~~ 2026-07-11T21:25:01,801 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:01,802 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:01,803 | ^~~~~~~~ 2026-07-11T21:25:04,062 [215/480] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o 2026-07-11T21:25:04,063 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:25:04,064 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/chem3dformat.cpp:17: 2026-07-11T21:25:04,065 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:04,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:04,067 281 | return ! ( (*this) == other ); 2026-07-11T21:25:04,068 | ^~~~~ 2026-07-11T21:25:04,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:04,069 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:04,070 | ^~~~~~~~ 2026-07-11T21:25:04,613 [216/480] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o 2026-07-11T21:25:04,614 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:04,615 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:16: 2026-07-11T21:25:04,616 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:04,617 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:04,618 281 | return ! ( (*this) == other ); 2026-07-11T21:25:04,619 | ^~~~~ 2026-07-11T21:25:04,621 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:04,622 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:04,623 | ^~~~~~~~ 2026-07-11T21:25:04,624 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:25:04,625 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:25:04,626 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:25:04,627 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:14: 2026-07-11T21:25:04,628 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:25:04,629 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:04,630 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:25:04,631 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,632 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:25:04,633 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:04,634 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:25:04,635 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:04,636 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:25:04,637 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:04,638 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:1090:30: 2026-07-11T21:25:04,639 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:04,640 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:04,640 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,641 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:25:04,642 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:04,643 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:1114:36: 2026-07-11T21:25:04,644 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:04,646 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:04,647 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:04,648 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:04,649 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:04,650 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:1115:36: 2026-07-11T21:25:04,651 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:04,652 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:04,653 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,654 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:25:04,655 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:04,656 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:970:30: 2026-07-11T21:25:04,657 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:04,658 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:04,659 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,660 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:04,660 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:991:36: 2026-07-11T21:25:04,661 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:04,662 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:04,663 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:04,664 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:04,665 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:04,666 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:992:36: 2026-07-11T21:25:04,667 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:04,668 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:04,676 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,677 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:25:04,678 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:31: 2026-07-11T21:25:04,679 /usr/include/c++/12/bits/stl_tree.h: In function ‘std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple, std::allocator >&>, std::tuple<>}; _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:25:04,681 /usr/include/c++/12/bits/stl_tree.h:2457:7: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:04,682 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:25:04,683 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,684 In file included from /usr/include/c++/12/map:61: 2026-07-11T21:25:04,685 /usr/include/c++/12/bits/stl_map.h: In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:25:04,686 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:04,686 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:04,687 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,688 512 | std::tuple(__k), 2026-07-11T21:25:04,689 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,690 513 | std::tuple<>()); 2026-07-11T21:25:04,691 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,691 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:25:04,692 inlined from ‘bool OpenBabel::GAMESSUKFormat::ReadVariables(std::istream&, double, std::string)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gamessukformat.cpp:480:26: 2026-07-11T21:25:04,693 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:04,694 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:04,695 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,696 512 | std::tuple(__k), 2026-07-11T21:25:04,697 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:04,698 513 | std::tuple<>()); 2026-07-11T21:25:04,699 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:06,482 [217/480] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o 2026-07-11T21:25:06,483 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:06,484 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/chemdrawct.cpp:18: 2026-07-11T21:25:06,485 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:06,486 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:06,488 281 | return ! ( (*this) == other ); 2026-07-11T21:25:06,489 | ^~~~~ 2026-07-11T21:25:06,489 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:06,490 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:06,491 | ^~~~~~~~ 2026-07-11T21:25:12,154 [218/480] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o 2026-07-11T21:25:12,155 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:12,156 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:20: 2026-07-11T21:25:12,157 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:12,158 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:12,159 281 | return ! ( (*this) == other ); 2026-07-11T21:25:12,160 | ^~~~~ 2026-07-11T21:25:12,161 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:12,162 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:12,163 | ^~~~~~~~ 2026-07-11T21:25:12,164 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:25:12,166 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:25:12,167 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:25:12,168 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:18: 2026-07-11T21:25:12,169 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBOrbital&}; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’: 2026-07-11T21:25:12,170 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:12,171 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:25:12,172 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,173 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:25:12,175 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:12,176 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:25:12,177 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,178 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,179 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,180 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:25:12,181 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:12,182 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:25:12,196 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,197 In file included from /usr/include/c++/12/vector:63: 2026-07-11T21:25:12,198 /usr/include/c++/12/bits/stl_uninitialized.h: In function ‘_ForwardIterator std::__do_uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’: 2026-07-11T21:25:12,198 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,199 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-07-11T21:25:12,200 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,201 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,202 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:25:12,203 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:25:12,204 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:25:12,205 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31: 2026-07-11T21:25:12,206 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,207 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:25:12,208 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,209 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:25:12,210 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:25:12,212 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:25:12,213 inlined from ‘std::vector<_Tp, _Alloc>::pointer std::vector<_Tp, _Alloc>::_M_allocate_and_copy(size_type, _ForwardIterator, _ForwardIterator) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1617:35, 2026-07-11T21:25:12,214 inlined from ‘std::vector<_Tp, _Alloc>& std::vector<_Tp, _Alloc>::operator=(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/vector.tcc:232:44: 2026-07-11T21:25:12,215 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,216 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:25:12,226 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,227 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:25:12,228 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:25:12,229 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:25:12,230 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:25:12,231 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:918:15, 2026-07-11T21:25:12,232 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:925:41: 2026-07-11T21:25:12,233 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,234 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:25:12,235 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,236 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:25:12,237 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:25:12,238 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:25:12,239 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:25:12,240 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:918:15, 2026-07-11T21:25:12,241 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:925:41: 2026-07-11T21:25:12,242 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,243 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:25:12,244 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,245 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,246 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,248 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:280:30: 2026-07-11T21:25:12,249 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,250 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,251 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,252 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,253 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,254 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:281:35: 2026-07-11T21:25:12,256 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,257 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,258 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,259 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,260 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,260 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:282:35: 2026-07-11T21:25:12,261 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,262 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,263 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,264 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,265 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,266 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:363:41: 2026-07-11T21:25:12,267 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,268 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,269 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,286 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,287 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,288 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:390:36: 2026-07-11T21:25:12,289 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,290 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,291 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,293 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,294 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,295 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:395:36: 2026-07-11T21:25:12,296 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,297 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,298 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,299 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,300 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,301 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:400:36: 2026-07-11T21:25:12,301 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,302 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,303 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,304 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:25:12,305 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,306 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:404:41: 2026-07-11T21:25:12,307 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,308 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,309 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,310 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,311 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,312 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:446:38: 2026-07-11T21:25:12,313 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,314 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,315 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,316 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,317 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,318 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:447:38: 2026-07-11T21:25:12,319 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,320 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,321 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,322 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,323 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,324 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:464:42: 2026-07-11T21:25:12,325 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,326 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,327 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,327 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,329 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,330 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:484:35: 2026-07-11T21:25:12,331 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,332 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,346 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,347 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,348 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,349 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:485:39: 2026-07-11T21:25:12,350 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,351 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,352 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,353 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,354 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,355 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:486:36: 2026-07-11T21:25:12,356 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,358 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,358 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,360 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,361 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,361 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:505:35: 2026-07-11T21:25:12,363 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,364 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,365 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,366 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,367 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,368 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:506:39: 2026-07-11T21:25:12,369 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,370 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,371 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,372 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,373 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,374 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:507:36: 2026-07-11T21:25:12,375 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,376 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,377 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,378 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,379 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,380 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:527:37: 2026-07-11T21:25:12,381 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,383 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,384 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,384 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,385 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,386 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:528:39: 2026-07-11T21:25:12,396 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,396 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,397 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,398 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:25:12,399 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,400 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:529:44: 2026-07-11T21:25:12,401 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,402 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,402 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,403 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:25:12,404 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:12,405 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:546:42: 2026-07-11T21:25:12,406 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,407 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:12,408 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:12,409 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:25:12,410 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-07-11T21:25:12,411 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:613:36: 2026-07-11T21:25:12,412 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,413 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:12,414 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:12,415 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-07-11T21:25:12,416 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/orcaformat.cpp:624:39: 2026-07-11T21:25:12,417 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:12,418 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:12,419 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:12,441 [219/480] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o 2026-07-11T21:25:12,442 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:12,442 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/chemtoolformat.cpp:21: 2026-07-11T21:25:12,443 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:12,444 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:12,445 281 | return ! ( (*this) == other ); 2026-07-11T21:25:12,446 | ^~~~~ 2026-07-11T21:25:12,447 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:12,448 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:12,449 | ^~~~~~~~ 2026-07-11T21:25:20,454 [220/480] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o 2026-07-11T21:25:20,455 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:20,456 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/crkformat.cpp:18: 2026-07-11T21:25:20,456 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:20,457 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:20,458 281 | return ! ( (*this) == other ); 2026-07-11T21:25:20,459 | ^~~~~ 2026-07-11T21:25:20,460 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:20,461 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:20,463 | ^~~~~~~~ 2026-07-11T21:25:20,850 [221/480] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o 2026-07-11T21:25:20,850 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:20,851 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cofformat.cpp:23: 2026-07-11T21:25:20,852 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:20,853 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:20,854 281 | return ! ( (*this) == other ); 2026-07-11T21:25:20,854 | ^~~~~ 2026-07-11T21:25:20,855 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:20,856 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:20,857 | ^~~~~~~~ 2026-07-11T21:25:21,372 [222/480] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o 2026-07-11T21:25:21,373 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:21,374 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/chemdrawcdx.cpp:19: 2026-07-11T21:25:21,374 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:21,375 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:21,376 281 | return ! ( (*this) == other ); 2026-07-11T21:25:21,377 | ^~~~~ 2026-07-11T21:25:21,378 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:21,379 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:21,380 | ^~~~~~~~ 2026-07-11T21:25:23,341 [223/480] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o 2026-07-11T21:25:23,342 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:23,343 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cssrformat.cpp:19: 2026-07-11T21:25:23,344 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:23,345 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:23,346 281 | return ! ( (*this) == other ); 2026-07-11T21:25:23,347 | ^~~~~ 2026-07-11T21:25:23,348 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:23,349 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:23,350 | ^~~~~~~~ 2026-07-11T21:25:31,887 [224/480] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o 2026-07-11T21:25:31,888 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:31,889 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/chemkinformat.cpp:26: 2026-07-11T21:25:31,890 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:31,891 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:31,892 281 | return ! ( (*this) == other ); 2026-07-11T21:25:31,893 | ^~~~~ 2026-07-11T21:25:31,893 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:31,894 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:31,895 | ^~~~~~~~ 2026-07-11T21:25:35,092 [225/480] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o 2026-07-11T21:25:35,093 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:35,094 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:25:35,095 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:25: 2026-07-11T21:25:35,096 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:35,097 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:35,099 281 | return ! ( (*this) == other ); 2026-07-11T21:25:35,100 | ^~~~~ 2026-07-11T21:25:35,101 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:35,103 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:35,104 | ^~~~~~~~ 2026-07-11T21:25:35,106 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:25:35,107 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:25:35,108 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:20: 2026-07-11T21:25:35,109 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:25:35,110 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:35,112 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:25:35,113 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:35,114 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:25:35,115 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:25:35,116 inlined from ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector&, OpenBabel::OBMol, int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:695:28: 2026-07-11T21:25:35,117 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:35,119 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:35,119 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:35,120 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:25:35,122 inlined from ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector&, OpenBabel::OBMol, int)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:698:28: 2026-07-11T21:25:35,123 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:35,124 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:35,125 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:35,126 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:25:35,127 inlined from ‘bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector&, const std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:644:30: 2026-07-11T21:25:35,128 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:35,129 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:35,146 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:35,147 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:25:35,148 inlined from ‘bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector&, const std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:646:32: 2026-07-11T21:25:35,149 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:35,151 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:35,152 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:35,153 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:25:35,154 inlined from ‘bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector&, const std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:679:26: 2026-07-11T21:25:35,155 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:35,156 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:35,158 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:35,159 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:25:35,160 inlined from ‘virtual bool OpenBabel::FastSearchFormat::ReadChemObject(OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastsearchformat.cpp:226:37: 2026-07-11T21:25:35,161 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:35,162 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:25:35,163 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:25:35,498 [226/480] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o 2026-07-11T21:25:35,499 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:35,500 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/exyzformat.cpp:20: 2026-07-11T21:25:35,501 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:35,501 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:35,503 281 | return ! ( (*this) == other ); 2026-07-11T21:25:35,504 | ^~~~~ 2026-07-11T21:25:35,505 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:35,506 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:35,507 | ^~~~~~~~ 2026-07-11T21:25:35,748 [227/480] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o 2026-07-11T21:25:35,750 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:35,752 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fastaformat.cpp:23: 2026-07-11T21:25:35,753 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:35,755 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:35,756 281 | return ! ( (*this) == other ); 2026-07-11T21:25:35,757 | ^~~~~ 2026-07-11T21:25:35,758 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:35,759 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:35,759 | ^~~~~~~~ 2026-07-11T21:25:37,760 [228/480] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o 2026-07-11T21:25:37,761 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:37,762 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/dlpolyformat.cpp:16: 2026-07-11T21:25:37,763 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:37,764 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:37,766 281 | return ! ( (*this) == other ); 2026-07-11T21:25:37,767 | ^~~~~ 2026-07-11T21:25:37,768 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:37,769 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:37,770 | ^~~~~~~~ 2026-07-11T21:25:37,771 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:25:37,771 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:25:37,772 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:25:37,773 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/dlpolyformat.cpp:14: 2026-07-11T21:25:37,774 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:25:37,775 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:25:37,776 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:25:37,777 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:37,778 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:25:37,779 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:25:37,780 inlined from ‘bool OpenBabel::DlpolyInputReader::ReadAtom(std::istream&, OpenBabel::OBMol&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/dlpolyformat.cpp:253:25: 2026-07-11T21:25:37,781 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:25:37,782 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:25:37,783 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:40,372 [229/480] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o 2026-07-11T21:25:40,373 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:40,374 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/featformat.cpp:19: 2026-07-11T21:25:40,375 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:40,376 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:40,377 281 | return ! ( (*this) == other ); 2026-07-11T21:25:40,378 | ^~~~~ 2026-07-11T21:25:40,379 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:40,380 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:40,381 | ^~~~~~~~ 2026-07-11T21:25:41,317 [230/480] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o 2026-07-11T21:25:41,318 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:41,319 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fhformat.cpp:19: 2026-07-11T21:25:41,321 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:41,322 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:41,322 281 | return ! ( (*this) == other ); 2026-07-11T21:25:41,323 | ^~~~~ 2026-07-11T21:25:41,324 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:41,325 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:41,326 | ^~~~~~~~ 2026-07-11T21:25:44,329 [231/480] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o 2026-07-11T21:25:44,330 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:44,331 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cifformat.cpp:26: 2026-07-11T21:25:44,331 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:44,332 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:44,333 281 | return ! ( (*this) == other ); 2026-07-11T21:25:44,334 | ^~~~~ 2026-07-11T21:25:44,335 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:44,336 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:44,337 | ^~~~~~~~ 2026-07-11T21:25:44,338 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:25:44,339 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:31, 2026-07-11T21:25:44,340 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:25:44,340 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cifformat.cpp:24: 2026-07-11T21:25:44,341 /usr/include/c++/12/bits/stl_tree.h: In function ‘std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple, std::allocator >&>, std::tuple<>}; _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:25:44,342 /usr/include/c++/12/bits/stl_tree.h:2457:7: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:44,343 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:25:44,345 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,346 In file included from /usr/include/c++/12/map:61: 2026-07-11T21:25:44,347 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:25:44,348 inlined from ‘void OpenBabel::CIFData::ExtractCharges()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cifformat.cpp:892:39: 2026-07-11T21:25:44,348 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:44,349 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:44,350 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,351 512 | std::tuple(__k), 2026-07-11T21:25:44,352 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,353 513 | std::tuple<>()); 2026-07-11T21:25:44,354 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,355 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:25:44,356 inlined from ‘void OpenBabel::CIFData::ExtractCharges()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/cifformat.cpp:903:37: 2026-07-11T21:25:44,357 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:44,358 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:44,359 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,360 512 | std::tuple(__k), 2026-07-11T21:25:44,361 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,362 513 | std::tuple<>()); 2026-07-11T21:25:44,363 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:44,901 [232/480] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o 2026-07-11T21:25:44,902 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:44,903 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fpsformat.cpp:22: 2026-07-11T21:25:44,904 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:44,905 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:44,906 281 | return ! ( (*this) == other ); 2026-07-11T21:25:44,907 | ^~~~~ 2026-07-11T21:25:44,908 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:44,909 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:44,910 | ^~~~~~~~ 2026-07-11T21:25:45,011 [233/480] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o 2026-07-11T21:25:45,012 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:45,013 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/fingerprintformat.cpp:22: 2026-07-11T21:25:45,013 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:45,014 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:45,015 281 | return ! ( (*this) == other ); 2026-07-11T21:25:45,016 | ^~~~~ 2026-07-11T21:25:45,017 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:45,018 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:45,019 | ^~~~~~~~ 2026-07-11T21:25:47,526 [234/480] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o 2026-07-11T21:25:47,527 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:47,528 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/gromos96format.cpp:56: 2026-07-11T21:25:47,530 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:47,531 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:47,532 281 | return ! ( (*this) == other ); 2026-07-11T21:25:47,533 | ^~~~~ 2026-07-11T21:25:47,534 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:47,535 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:47,536 | ^~~~~~~~ 2026-07-11T21:25:47,803 [235/480] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o 2026-07-11T21:25:47,804 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:47,805 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/freefracformat.cpp:18: 2026-07-11T21:25:47,807 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:47,807 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:47,808 281 | return ! ( (*this) == other ); 2026-07-11T21:25:47,809 | ^~~~~ 2026-07-11T21:25:47,810 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:47,811 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:47,812 | ^~~~~~~~ 2026-07-11T21:25:49,682 [236/480] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o 2026-07-11T21:25:49,683 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:49,684 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/ghemicalformat.cpp:19: 2026-07-11T21:25:49,685 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:49,686 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:49,687 281 | return ! ( (*this) == other ); 2026-07-11T21:25:49,688 | ^~~~~ 2026-07-11T21:25:49,689 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:49,690 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:49,691 | ^~~~~~~~ 2026-07-11T21:25:57,376 [237/480] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o 2026-07-11T21:25:57,377 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:57,378 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/groformat.cpp:18: 2026-07-11T21:25:57,379 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:57,380 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:57,381 281 | return ! ( (*this) == other ); 2026-07-11T21:25:57,382 | ^~~~~ 2026-07-11T21:25:57,383 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:57,384 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:57,386 | ^~~~~~~~ 2026-07-11T21:25:59,004 [238/480] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o 2026-07-11T21:25:59,005 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:59,007 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lmpdatformat.cpp:17: 2026-07-11T21:25:59,008 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:59,009 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:59,010 281 | return ! ( (*this) == other ); 2026-07-11T21:25:59,011 | ^~~~~ 2026-07-11T21:25:59,012 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:59,013 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:59,014 | ^~~~~~~~ 2026-07-11T21:25:59,015 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:25:59,016 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:31, 2026-07-11T21:25:59,017 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:25:59,018 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lmpdatformat.cpp:15: 2026-07-11T21:25:59,019 /usr/include/c++/12/bits/stl_tree.h: In function ‘std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple, std::allocator >&>, std::tuple<>}; _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:25:59,026 /usr/include/c++/12/bits/stl_tree.h:2457:7: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:59,027 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:25:59,028 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,029 In file included from /usr/include/c++/12/map:61: 2026-07-11T21:25:59,030 /usr/include/c++/12/bits/stl_map.h: In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:25:59,031 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:59,032 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:59,033 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,034 512 | std::tuple(__k), 2026-07-11T21:25:59,035 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,036 513 | std::tuple<>()); 2026-07-11T21:25:59,037 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,038 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:25:59,039 inlined from ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lmpdatformat.cpp:104:21: 2026-07-11T21:25:59,040 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:59,041 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:59,042 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,044 512 | std::tuple(__k), 2026-07-11T21:25:59,045 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,046 513 | std::tuple<>()); 2026-07-11T21:25:59,047 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,048 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:25:59,049 inlined from ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lmpdatformat.cpp:374:28: 2026-07-11T21:25:59,050 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:25:59,051 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:25:59,054 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,055 512 | std::tuple(__k), 2026-07-11T21:25:59,057 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,058 513 | std::tuple<>()); 2026-07-11T21:25:59,059 | ~~~~~~~~~~~~~~~ 2026-07-11T21:25:59,283 [239/480] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o 2026-07-11T21:25:59,284 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:25:59,286 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mmodformat.cpp:19: 2026-07-11T21:25:59,287 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:25:59,288 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:25:59,289 281 | return ! ( (*this) == other ); 2026-07-11T21:25:59,290 | ^~~~~ 2026-07-11T21:25:59,291 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:25:59,292 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:25:59,293 | ^~~~~~~~ 2026-07-11T21:26:02,508 [240/480] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o 2026-07-11T21:26:02,509 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:02,510 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:17: 2026-07-11T21:26:02,511 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:02,512 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:02,513 281 | return ! ( (*this) == other ); 2026-07-11T21:26:02,514 | ^~~~~ 2026-07-11T21:26:02,515 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:02,516 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:02,517 | ^~~~~~~~ 2026-07-11T21:26:02,518 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:02,519 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:26:02,520 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:26:02,522 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:15: 2026-07-11T21:26:02,522 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:02,523 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:02,524 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:02,525 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,527 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:02,528 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,529 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,530 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,531 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:02,532 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:02,533 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:306:14: 2026-07-11T21:26:02,534 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,535 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,536 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,536 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:02,537 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:02,546 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:307:14: 2026-07-11T21:26:02,547 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,548 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,549 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,550 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:02,551 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:02,552 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:308:14: 2026-07-11T21:26:02,554 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,555 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,556 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,557 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:02,559 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:02,560 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:363:18: 2026-07-11T21:26:02,561 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,563 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,564 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,565 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:02,566 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:02,567 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:364:18: 2026-07-11T21:26:02,568 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,569 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,574 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:02,575 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:02,576 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:02,577 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/lpmdformat.cpp:365:18: 2026-07-11T21:26:02,578 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:02,579 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:02,580 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:07,655 [241/480] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o 2026-07-11T21:26:07,656 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:07,657 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mpqcformat.cpp:18: 2026-07-11T21:26:07,658 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:07,659 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:07,660 281 | return ! ( (*this) == other ); 2026-07-11T21:26:07,661 | ^~~~~ 2026-07-11T21:26:07,663 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:07,664 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:07,665 | ^~~~~~~~ 2026-07-11T21:26:08,248 [242/480] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o 2026-07-11T21:26:08,249 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:08,249 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mpdformat.cpp:24: 2026-07-11T21:26:08,250 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:08,251 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:08,252 281 | return ! ( (*this) == other ); 2026-07-11T21:26:08,253 | ^~~~~ 2026-07-11T21:26:08,254 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:08,255 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:08,256 | ^~~~~~~~ 2026-07-11T21:26:11,733 [243/480] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o 2026-07-11T21:26:11,734 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:11,735 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/msiformat.cpp:17: 2026-07-11T21:26:11,735 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:11,737 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:11,738 281 | return ! ( (*this) == other ); 2026-07-11T21:26:11,739 | ^~~~~ 2026-07-11T21:26:11,740 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:11,742 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:11,743 | ^~~~~~~~ 2026-07-11T21:26:12,337 [244/480] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o 2026-07-11T21:26:12,338 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:12,339 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdffformat.cpp:19: 2026-07-11T21:26:12,340 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:12,341 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:12,342 281 | return ! ( (*this) == other ); 2026-07-11T21:26:12,343 | ^~~~~ 2026-07-11T21:26:12,344 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:12,345 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:12,346 | ^~~~~~~~ 2026-07-11T21:26:12,347 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:26:12,348 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:31, 2026-07-11T21:26:12,349 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:26:12,350 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdffformat.cpp:17: 2026-07-11T21:26:12,351 /usr/include/c++/12/bits/stl_tree.h: In function ‘std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple, std::allocator >&>, std::tuple<>}; _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:26:12,352 /usr/include/c++/12/bits/stl_tree.h:2457:7: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:12,353 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:26:12,354 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,355 In file included from /usr/include/c++/12/map:61: 2026-07-11T21:26:12,356 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:26:12,357 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdffformat.cpp:477:23: 2026-07-11T21:26:12,358 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:12,359 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:26:12,360 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,361 512 | std::tuple(__k), 2026-07-11T21:26:12,362 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,363 513 | std::tuple<>()); 2026-07-11T21:26:12,364 | ~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,365 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:26:12,366 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdffformat.cpp:479:26: 2026-07-11T21:26:12,367 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:12,368 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:26:12,369 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,370 512 | std::tuple(__k), 2026-07-11T21:26:12,371 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,372 513 | std::tuple<>()); 2026-07-11T21:26:12,373 | ~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,374 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:26:12,375 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdffformat.cpp:480:25: 2026-07-11T21:26:12,376 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:12,377 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:26:12,386 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,388 512 | std::tuple(__k), 2026-07-11T21:26:12,389 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,390 513 | std::tuple<>()); 2026-07-11T21:26:12,391 | ~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,394 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:26:12,396 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mdffformat.cpp:512:53: 2026-07-11T21:26:12,397 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:12,398 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:26:12,400 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,401 512 | std::tuple(__k), 2026-07-11T21:26:12,402 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:12,403 513 | std::tuple<>()); 2026-07-11T21:26:12,404 | ~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,148 [245/480] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o 2026-07-11T21:26:13,149 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:13,150 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mmcifformat.cpp:21: 2026-07-11T21:26:13,151 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:13,152 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:13,153 281 | return ! ( (*this) == other ); 2026-07-11T21:26:13,154 | ^~~~~ 2026-07-11T21:26:13,155 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:13,156 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:13,157 | ^~~~~~~~ 2026-07-11T21:26:13,158 In file included from /usr/include/c++/12/map:60, 2026-07-11T21:26:13,158 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:31, 2026-07-11T21:26:13,160 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:26:13,161 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mmcifformat.cpp:19: 2026-07-11T21:26:13,162 /usr/include/c++/12/bits/stl_tree.h: In function ‘std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple, std::allocator >&>, std::tuple<>}; _Key = std::__cxx11::basic_string; _Val = std::pair, double>; _KeyOfValue = std::_Select1st, double> >; _Compare = std::less >; _Alloc = std::allocator, double> >]’: 2026-07-11T21:26:13,163 /usr/include/c++/12/bits/stl_tree.h:2457:7: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:13,164 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-07-11T21:26:13,165 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,166 In file included from /usr/include/c++/12/map:61: 2026-07-11T21:26:13,167 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:26:13,168 inlined from ‘virtual bool OpenBabel::mmCIFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mmcifformat.cpp:862:41: 2026-07-11T21:26:13,169 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:13,170 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:26:13,171 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,172 512 | std::tuple(__k), 2026-07-11T21:26:13,172 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,173 513 | std::tuple<>()); 2026-07-11T21:26:13,174 | ~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,175 In member function ‘std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string; _Tp = double; _Compare = std::less >; _Alloc = std::allocator, double> >]’, 2026-07-11T21:26:13,176 inlined from ‘virtual bool OpenBabel::mmCIFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/mmcifformat.cpp:1002:66: 2026-07-11T21:26:13,177 /usr/include/c++/12/bits/stl_map.h:511:44: note: parameter passing for argument of type ‘std::_Rb_tree, std::pair, double>, std::_Select1st, double> >, std::less >, std::allocator, double> > >::const_iterator’ changed in GCC 7.1 2026-07-11T21:26:13,178 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-07-11T21:26:13,179 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,180 512 | std::tuple(__k), 2026-07-11T21:26:13,181 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:13,183 513 | std::tuple<>()); 2026-07-11T21:26:13,184 | ~~~~~~~~~~~~~~~ 2026-07-11T21:26:15,802 [246/480] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o 2026-07-11T21:26:15,803 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:15,804 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/msmsformat.cpp:30: 2026-07-11T21:26:15,805 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:15,806 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:15,807 281 | return ! ( (*this) == other ); 2026-07-11T21:26:15,808 | ^~~~~ 2026-07-11T21:26:15,809 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:15,810 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:15,811 | ^~~~~~~~ 2026-07-11T21:26:16,415 [247/480] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o 2026-07-11T21:26:16,416 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:16,417 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:38: 2026-07-11T21:26:16,418 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:16,419 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:16,420 281 | return ! ( (*this) == other ); 2026-07-11T21:26:16,420 | ^~~~~ 2026-07-11T21:26:16,421 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:16,422 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:16,423 | ^~~~~~~~ 2026-07-11T21:26:16,424 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:16,425 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:29: 2026-07-11T21:26:16,427 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:26:16,428 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:16,429 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:16,430 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:16,431 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:16,432 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:16,433 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:16,434 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:16,436 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:26:16,438 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:16,441 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:203:33: 2026-07-11T21:26:16,442 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:16,444 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:16,446 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:16,452 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:16,453 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:219:38: 2026-07-11T21:26:16,454 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:16,455 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:16,456 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:16,457 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:16,458 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:257:36: 2026-07-11T21:26:16,459 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:16,460 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:16,461 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:16,462 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:16,462 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:268:36: 2026-07-11T21:26:16,463 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:16,464 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:16,465 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:16,467 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:16,468 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:16,469 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/moldenformat.cpp:307:32: 2026-07-11T21:26:16,471 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:16,472 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:16,473 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:19,050 [248/480] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o 2026-07-11T21:26:19,051 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:19,052 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/opendxformat.cpp:26: 2026-07-11T21:26:19,053 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:19,054 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:19,055 281 | return ! ( (*this) == other ); 2026-07-11T21:26:19,056 | ^~~~~ 2026-07-11T21:26:19,056 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:19,057 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:19,058 | ^~~~~~~~ 2026-07-11T21:26:19,059 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:19,060 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:26:19,061 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:26:19,062 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/opendxformat.cpp:24: 2026-07-11T21:26:19,063 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:19,064 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:19,065 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:19,066 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:19,067 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:26:19,067 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:19,068 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:19,069 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:19,070 inlined from ‘virtual bool OpenBabel::OBOpenDXCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/opendxformat.cpp:154:23: 2026-07-11T21:26:19,071 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:19,072 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:19,073 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:19,074 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:19,076 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:19,077 inlined from ‘virtual bool OpenBabel::OBOpenDXCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/opendxformat.cpp:199:25: 2026-07-11T21:26:19,078 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:19,079 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:19,080 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:19,360 [249/480] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o 2026-07-11T21:26:19,361 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:26:19,362 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:26:19,362 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:26:19,363 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:26:19,364 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/outformat.cpp:17: 2026-07-11T21:26:19,365 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:19,366 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:19,367 281 | return ! ( (*this) == other ); 2026-07-11T21:26:19,368 | ^~~~~ 2026-07-11T21:26:19,369 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:19,370 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:19,371 | ^~~~~~~~ 2026-07-11T21:26:21,680 [250/480] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o 2026-07-11T21:26:21,681 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:21,682 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pcmodelformat.cpp:18: 2026-07-11T21:26:21,683 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:21,684 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:21,685 281 | return ! ( (*this) == other ); 2026-07-11T21:26:21,686 | ^~~~~ 2026-07-11T21:26:21,687 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:21,688 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:21,689 | ^~~~~~~~ 2026-07-11T21:26:25,562 [251/480] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o 2026-07-11T21:26:25,563 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:25,564 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/posformat.cpp:17: 2026-07-11T21:26:25,566 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:25,567 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:25,567 281 | return ! ( (*this) == other ); 2026-07-11T21:26:25,568 | ^~~~~ 2026-07-11T21:26:25,569 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:25,570 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:25,571 | ^~~~~~~~ 2026-07-11T21:26:26,007 [252/480] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o 2026-07-11T21:26:26,008 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:26,009 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:29: 2026-07-11T21:26:26,010 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:26,011 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:26,012 281 | return ! ( (*this) == other ); 2026-07-11T21:26:26,013 | ^~~~~ 2026-07-11T21:26:26,014 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:26,016 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:26,017 | ^~~~~~~~ 2026-07-11T21:26:26,018 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:26,019 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:26:26,020 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:28: 2026-07-11T21:26:26,021 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:26,022 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:26,023 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:26,024 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:26,025 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:26:26,026 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:26,027 inlined from ‘bool OpenBabel::conditional_add(std::vector&, vector3, double)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:159:19: 2026-07-11T21:26:26,028 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:26,029 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:26,030 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:26,031 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:26:26,032 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:26,033 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:26,034 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:26,035 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:26:26,036 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:26,037 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:26,038 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:205:63: 2026-07-11T21:26:26,039 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:26,040 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:26,046 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:26,047 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:26,048 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:215:59: 2026-07-11T21:26:26,049 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:26,050 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:26,051 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:26,052 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:26,053 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:26,054 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:220:68: 2026-07-11T21:26:26,055 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:26,056 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:26,066 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:26,067 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:26,069 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:26,071 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:222:29: 2026-07-11T21:26:26,072 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:26,073 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:26,074 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:26,075 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:26,076 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pointcloudformat.cpp:269:38: 2026-07-11T21:26:26,077 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:26,078 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:26,079 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:30,386 [253/480] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o 2026-07-11T21:26:30,387 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:30,388 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/rinchiformat.cpp:20: 2026-07-11T21:26:30,389 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:30,390 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:30,391 281 | return ! ( (*this) == other ); 2026-07-11T21:26:30,392 | ^~~~~ 2026-07-11T21:26:30,394 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:30,395 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:30,396 | ^~~~~~~~ 2026-07-11T21:26:32,163 [254/480] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o 2026-07-11T21:26:32,164 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:32,165 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/rsmiformat.cpp:20: 2026-07-11T21:26:32,166 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:32,166 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:32,167 281 | return ! ( (*this) == other ); 2026-07-11T21:26:32,169 | ^~~~~ 2026-07-11T21:26:32,170 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:32,171 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:32,172 | ^~~~~~~~ 2026-07-11T21:26:35,416 [255/480] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o 2026-07-11T21:26:35,417 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:26:35,418 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/shelxformat.cpp:17: 2026-07-11T21:26:35,419 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:35,420 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:35,421 281 | return ! ( (*this) == other ); 2026-07-11T21:26:35,422 | ^~~~~ 2026-07-11T21:26:35,423 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:35,424 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:35,425 | ^~~~~~~~ 2026-07-11T21:26:36,488 [256/480] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o 2026-07-11T21:26:36,489 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:36,490 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pqrformat.cpp:18: 2026-07-11T21:26:36,491 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:36,492 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:36,493 281 | return ! ( (*this) == other ); 2026-07-11T21:26:36,494 | ^~~~~ 2026-07-11T21:26:36,495 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:36,496 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:36,497 | ^~~~~~~~ 2026-07-11T21:26:36,498 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:36,499 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:26:36,500 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:26:36,501 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pqrformat.cpp:16: 2026-07-11T21:26:36,503 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:26:36,504 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:36,505 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:36,506 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:36,507 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:36,508 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:36,509 inlined from ‘virtual bool OpenBabel::PQRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pqrformat.cpp:140:30: 2026-07-11T21:26:36,510 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:36,511 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:36,512 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:36,513 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:26:36,514 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:26:36,515 inlined from ‘virtual bool OpenBabel::PQRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pqrformat.cpp:141:28: 2026-07-11T21:26:36,516 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:36,516 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:36,517 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:36,684 [257/480] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o 2026-07-11T21:26:36,685 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:36,687 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/rxnformat.cpp:22: 2026-07-11T21:26:36,687 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:36,688 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:36,689 281 | return ! ( (*this) == other ); 2026-07-11T21:26:36,690 | ^~~~~ 2026-07-11T21:26:36,692 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:36,693 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:36,694 | ^~~~~~~~ 2026-07-11T21:26:40,517 [258/480] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o 2026-07-11T21:26:40,518 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:40,519 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obfunctions.h:22, 2026-07-11T21:26:40,520 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbqtformat.cpp:25: 2026-07-11T21:26:40,521 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:40,522 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:40,523 281 | return ! ( (*this) == other ); 2026-07-11T21:26:40,525 | ^~~~~ 2026-07-11T21:26:40,526 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:40,526 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:40,527 | ^~~~~~~~ 2026-07-11T21:26:40,528 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:26:40,529 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbqtformat.cpp:33: 2026-07-11T21:26:40,530 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:26:40,531 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,532 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:40,533 | ^ 2026-07-11T21:26:40,534 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,534 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,535 | ^~~~~~~~~ 2026-07-11T21:26:40,537 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,538 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:40,539 | ^ 2026-07-11T21:26:40,540 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,541 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,542 | ^~~~~~~~~ 2026-07-11T21:26:40,543 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,544 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:40,545 | ^ 2026-07-11T21:26:40,547 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,548 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,548 | ^~~~~~~~~ 2026-07-11T21:26:40,550 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,556 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:40,557 | ^ 2026-07-11T21:26:40,558 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,559 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,560 | ^~~~~~~~~ 2026-07-11T21:26:40,561 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:26:40,562 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,563 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:40,564 | ^ 2026-07-11T21:26:40,565 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,566 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,566 | ^~~~~~~~~ 2026-07-11T21:26:40,567 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,568 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:40,569 | ^ 2026-07-11T21:26:40,570 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,571 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,576 | ^~~~~~~~~ 2026-07-11T21:26:40,577 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,578 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:40,579 | ^ 2026-07-11T21:26:40,580 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,581 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,582 | ^~~~~~~~~ 2026-07-11T21:26:40,583 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:40,584 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:40,585 | ^ 2026-07-11T21:26:40,586 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:40,587 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:40,588 | ^~~~~~~~~ 2026-07-11T21:26:40,596 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:40,597 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:26:40,598 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obmolecformat.h:25, 2026-07-11T21:26:40,600 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbqtformat.cpp:24: 2026-07-11T21:26:40,601 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:26:40,602 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:40,603 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:40,603 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:40,604 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:26:40,605 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:26:40,606 inlined from ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbqtformat.cpp:806:23, 2026-07-11T21:26:40,607 inlined from ‘virtual bool OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbqtformat.cpp:862:32: 2026-07-11T21:26:40,608 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:40,609 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:40,610 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:40,611 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:26:40,612 inlined from ‘virtual bool OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/pdbqtformat.cpp:858:27: 2026-07-11T21:26:40,613 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:40,614 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:26:40,615 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:26:43,434 [259/480] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o 2026-07-11T21:26:43,435 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:43,436 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/unichemformat.cpp:19: 2026-07-11T21:26:43,437 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:43,438 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:43,439 281 | return ! ( (*this) == other ); 2026-07-11T21:26:43,440 | ^~~~~ 2026-07-11T21:26:43,441 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:43,442 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:43,444 | ^~~~~~~~ 2026-07-11T21:26:43,451 [260/480] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o 2026-07-11T21:26:43,452 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:28: 2026-07-11T21:26:43,453 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:43,454 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:43,455 281 | return ! ( (*this) == other ); 2026-07-11T21:26:43,456 | ^~~~~ 2026-07-11T21:26:43,457 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:43,458 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:43,459 | ^~~~~~~~ 2026-07-11T21:26:43,460 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:26:43,461 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:26:43,462 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:29: 2026-07-11T21:26:43,463 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double, double, double}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:26:43,464 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:43,466 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:26:43,467 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:43,468 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, short unsigned int&}; _Tp = OpenBabel::Triangle; _Alloc = std::allocator]’: 2026-07-11T21:26:43,469 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:26:43,470 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, short unsigned int&}; _Tp = OpenBabel::Triangle; _Alloc = std::allocator]’: 2026-07-11T21:26:43,471 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:43,472 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:43,473 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:43,474 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, short unsigned int&}; _Tp = OpenBabel::Triangle; _Alloc = std::allocator]’, 2026-07-11T21:26:43,475 inlined from ‘void OpenBabel::map_cylinder(std::vector&, vector3, vector3, double, uint16_t)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:288:23: 2026-07-11T21:26:43,477 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:43,478 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:43,479 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:43,480 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, short unsigned int&}; _Tp = OpenBabel::Triangle; _Alloc = std::allocator]’, 2026-07-11T21:26:43,481 inlined from ‘void OpenBabel::map_cylinder(std::vector&, vector3, vector3, double, uint16_t)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:289:23: 2026-07-11T21:26:43,482 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:43,483 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:43,484 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:43,485 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double, double, double}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:43,486 inlined from ‘void OpenBabel::map_sphere(std::vector&, vector3, double, uint16_t)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:244:28, 2026-07-11T21:26:43,487 inlined from ‘virtual bool OpenBabel::STLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:447:17: 2026-07-11T21:26:43,488 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:43,489 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:43,490 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:43,492 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double, double, double}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:26:43,493 inlined from ‘void OpenBabel::map_sphere(std::vector&, vector3, double, uint16_t)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:245:28, 2026-07-11T21:26:43,494 inlined from ‘virtual bool OpenBabel::STLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/stlformat.cpp:447:17: 2026-07-11T21:26:43,495 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:26:43,496 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:26:43,497 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:26:45,114 [261/480] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o 2026-07-11T21:26:45,115 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:45,116 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/thermoformat.cpp:25: 2026-07-11T21:26:45,117 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:45,119 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:45,120 281 | return ! ( (*this) == other ); 2026-07-11T21:26:45,121 | ^~~~~ 2026-07-11T21:26:45,122 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:45,123 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:45,124 | ^~~~~~~~ 2026-07-11T21:26:48,732 [262/480] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o 2026-07-11T21:26:48,732 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:48,733 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/viewmolformat.cpp:19: 2026-07-11T21:26:48,734 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:48,735 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:48,736 281 | return ! ( (*this) == other ); 2026-07-11T21:26:48,737 | ^~~~~ 2026-07-11T21:26:48,738 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:48,739 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:48,740 | ^~~~~~~~ 2026-07-11T21:26:49,164 [263/480] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o 2026-07-11T21:26:49,165 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:49,166 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/smileyformat.cpp:17: 2026-07-11T21:26:49,167 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:49,168 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:49,169 281 | return ! ( (*this) == other ); 2026-07-11T21:26:49,169 | ^~~~~ 2026-07-11T21:26:49,170 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:49,171 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:49,173 | ^~~~~~~~ 2026-07-11T21:26:49,174 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/typer.h:29, 2026-07-11T21:26:49,175 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/smileyformat.cpp:22: 2026-07-11T21:26:49,176 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:26:49,178 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,178 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:49,180 | ^ 2026-07-11T21:26:49,180 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,181 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,182 | ^~~~~~~~~ 2026-07-11T21:26:49,183 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,184 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:49,185 | ^ 2026-07-11T21:26:49,186 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,186 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,187 | ^~~~~~~~~ 2026-07-11T21:26:49,188 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,189 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:49,190 | ^ 2026-07-11T21:26:49,191 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,192 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,193 | ^~~~~~~~~ 2026-07-11T21:26:49,194 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,195 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:26:49,196 | ^ 2026-07-11T21:26:49,197 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,198 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,198 | ^~~~~~~~~ 2026-07-11T21:26:49,199 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:26:49,200 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,201 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:49,202 | ^ 2026-07-11T21:26:49,203 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,204 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,205 | ^~~~~~~~~ 2026-07-11T21:26:49,206 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,207 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:49,208 | ^ 2026-07-11T21:26:49,209 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,210 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,210 | ^~~~~~~~~ 2026-07-11T21:26:49,219 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,220 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:49,221 | ^ 2026-07-11T21:26:49,222 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,223 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,236 | ^~~~~~~~~ 2026-07-11T21:26:49,237 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:26:49,238 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:26:49,239 | ^ 2026-07-11T21:26:49,240 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:26:49,241 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:26:49,243 | ^~~~~~~~~ 2026-07-11T21:26:49,990 [264/480] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o 2026-07-11T21:26:49,991 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:49,992 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/tinkerformat.cpp:19: 2026-07-11T21:26:49,993 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:49,994 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:49,995 281 | return ! ( (*this) == other ); 2026-07-11T21:26:49,996 | ^~~~~ 2026-07-11T21:26:49,997 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:49,999 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:50,000 | ^~~~~~~~ 2026-07-11T21:26:51,137 [265/480] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o 2026-07-11T21:26:51,409 [266/480] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o 2026-07-11T21:26:51,410 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:51,411 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xedformat.cpp:19: 2026-07-11T21:26:51,412 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:51,413 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:51,414 281 | return ! ( (*this) == other ); 2026-07-11T21:26:51,414 | ^~~~~ 2026-07-11T21:26:51,415 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:51,416 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:51,417 | ^~~~~~~~ 2026-07-11T21:26:56,798 [267/480] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o 2026-07-11T21:26:56,799 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:56,800 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/yasaraformat.cpp:36: 2026-07-11T21:26:56,801 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:56,802 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:56,803 281 | return ! ( (*this) == other ); 2026-07-11T21:26:56,804 | ^~~~~ 2026-07-11T21:26:56,805 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:56,806 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:56,807 | ^~~~~~~~ 2026-07-11T21:26:57,544 [268/480] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o 2026-07-11T21:26:57,545 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:26:57,546 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xyzformat.cpp:19: 2026-07-11T21:26:57,547 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:26:57,548 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:26:57,549 281 | return ! ( (*this) == other ); 2026-07-11T21:26:57,550 | ^~~~~ 2026-07-11T21:26:57,551 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:26:57,552 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:26:57,554 | ^~~~~~~~ 2026-07-11T21:26:58,872 [269/480] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o 2026-07-11T21:27:00,178 [270/480] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o 2026-07-11T21:27:00,179 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:27:00,180 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/cdxmlformat.cpp:22: 2026-07-11T21:27:00,181 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:00,182 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:00,183 281 | return ! ( (*this) == other ); 2026-07-11T21:27:00,184 | ^~~~~ 2026-07-11T21:27:00,185 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:00,186 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:00,187 | ^~~~~~~~ 2026-07-11T21:27:00,188 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:27:00,189 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:27:00,190 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/xml.h:21, 2026-07-11T21:27:00,192 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/cdxmlformat.cpp:20: 2026-07-11T21:27:00,193 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:27:00,194 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:27:00,195 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:27:00,196 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:27:00,206 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:27:00,216 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:27:00,217 inlined from ‘OpenBabel::Boundary OpenBabel::ChemDrawXMLFormat::CalculateMoleculeBoundary(OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/cdxmlformat.cpp:335:21: 2026-07-11T21:27:00,218 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:27:00,219 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:27:00,220 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:27:00,222 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:27:00,223 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = double; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:27:00,224 inlined from ‘OpenBabel::Boundary OpenBabel::ChemDrawXMLFormat::CalculateMoleculeBoundary(OpenBabel::OBMol*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/cdxmlformat.cpp:336:21: 2026-07-11T21:27:00,225 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:27:00,226 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:27:00,227 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:27:04,477 [271/480] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o 2026-07-11T21:27:06,453 [272/480] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o 2026-07-11T21:27:11,165 [273/480] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o 2026-07-11T21:27:11,166 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:27:11,167 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/wln-nextmove.cpp:17: 2026-07-11T21:27:11,168 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:11,169 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:11,170 281 | return ! ( (*this) == other ); 2026-07-11T21:27:11,170 | ^~~~~ 2026-07-11T21:27:11,171 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:11,172 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:11,173 | ^~~~~~~~ 2026-07-11T21:27:11,493 [274/480] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o 2026-07-11T21:27:11,494 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:27:11,495 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/pubchem.cpp:19: 2026-07-11T21:27:11,496 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:11,497 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:11,498 281 | return ! ( (*this) == other ); 2026-07-11T21:27:11,499 | ^~~~~ 2026-07-11T21:27:11,500 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:11,500 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:11,501 | ^~~~~~~~ 2026-07-11T21:27:11,503 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:27:11,504 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:30, 2026-07-11T21:27:11,505 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/xml.h:21, 2026-07-11T21:27:11,506 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/pubchem.cpp:17: 2026-07-11T21:27:11,507 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:27:11,508 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:27:11,509 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:27:11,509 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:27:11,510 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:27:11,511 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:27:11,512 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:27:11,513 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:27:11,514 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:27:11,515 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:27:11,516 inlined from ‘virtual bool OpenBabel::PubChemFormat::DoElement(const std::string&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/pubchem.cpp:163:20: 2026-07-11T21:27:11,517 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:27:11,518 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:27:11,519 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:27:12,033 [275/480] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o 2026-07-11T21:27:12,167 [276/480] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o 2026-07-11T21:27:18,851 [277/480] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o 2026-07-11T21:27:23,533 [278/480] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o 2026-07-11T21:27:23,535 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:27:23,536 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/cmlreactformat.cpp:17: 2026-07-11T21:27:23,537 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:23,538 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:23,539 281 | return ! ( (*this) == other ); 2026-07-11T21:27:23,540 | ^~~~~ 2026-07-11T21:27:23,541 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:23,542 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:23,543 | ^~~~~~~~ 2026-07-11T21:27:27,230 [279/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt2.c.o 2026-07-11T21:27:29,668 [280/480] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o 2026-07-11T21:27:29,668 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:27:29,669 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/xml/cmlformat.cpp:19: 2026-07-11T21:27:29,671 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:29,672 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:29,673 281 | return ! ( (*this) == other ); 2026-07-11T21:27:29,674 | ^~~~~ 2026-07-11T21:27:29,675 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:29,676 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:29,677 | ^~~~~~~~ 2026-07-11T21:27:29,677 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:27:29,678 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/oberror.h:28, 2026-07-11T21:27:29,679 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:27: 2026-07-11T21:27:29,680 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:27:29,681 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:27:29,682 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:27:29,683 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:27:29,684 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:27:29,685 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:27:29,686 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:27:29,687 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:27:32,352 [281/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiqueu.c.o 2026-07-11T21:27:40,364 [282/480] Building CXX object src/formats/CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o 2026-07-11T21:27:40,365 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:27:40,366 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/json/chemicaljsonformat.cpp:17: 2026-07-11T21:27:40,367 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:40,368 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:40,369 281 | return ! ( (*this) == other ); 2026-07-11T21:27:40,370 | ^~~~~ 2026-07-11T21:27:40,371 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:40,372 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:40,373 | ^~~~~~~~ 2026-07-11T21:27:41,057 [283/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiring.c.o 2026-07-11T21:27:41,630 [284/480] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o 2026-07-11T21:27:41,631 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:27:41,632 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/json/chemdoodlejsonformat.cpp:22: 2026-07-11T21:27:41,633 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:27:41,633 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:27:41,634 281 | return ! ( (*this) == other ); 2026-07-11T21:27:41,635 | ^~~~~ 2026-07-11T21:27:41,636 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:27:41,637 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:27:41,638 | ^~~~~~~~ 2026-07-11T21:27:49,214 [285/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr1.c.o 2026-07-11T21:27:50,278 [286/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt3.c.o 2026-07-11T21:27:57,193 [287/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr2.c.o 2026-07-11T21:28:01,061 [288/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr4.c.o 2026-07-11T21:28:01,124 [289/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiread.c.o 2026-07-11T21:28:01,148 [290/480] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o 2026-07-11T21:28:01,149 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:01,150 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/json/pubchemjsonformat.cpp:23: 2026-07-11T21:28:01,151 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:01,153 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:01,154 281 | return ! ( (*this) == other ); 2026-07-11T21:28:01,155 | ^~~~~ 2026-07-11T21:28:01,156 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:01,157 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:01,158 | ^~~~~~~~ 2026-07-11T21:28:01,744 [291/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr5.c.o 2026-07-11T21:28:03,471 [292/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichisort.c.o 2026-07-11T21:28:05,015 [293/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr6.c.o 2026-07-11T21:28:05,795 [294/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ikey_base26.c.o 2026-07-11T21:28:06,394 [295/480] Building CXX object src/formats/CMakeFiles/ketformat.dir/json/ketformat.cpp.o 2026-07-11T21:28:06,395 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:06,397 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/json/ketformat.cpp:34: 2026-07-11T21:28:06,398 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:06,399 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:06,400 281 | return ! ( (*this) == other ); 2026-07-11T21:28:06,401 | ^~~~~ 2026-07-11T21:28:06,402 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:06,403 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:06,404 | ^~~~~~~~ 2026-07-11T21:28:06,404 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:28:06,405 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:30: 2026-07-11T21:28:06,406 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::{anonymous}::OutComponent}; _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’: 2026-07-11T21:28:06,407 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:28:06,408 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:28:06,409 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:28:06,410 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::{anonymous}::OutComponent}; _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’, 2026-07-11T21:28:06,411 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:28:06,412 inlined from ‘OpenBabel::KETFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)::’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/json/ketformat.cpp:1611:37: 2026-07-11T21:28:06,413 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:28:06,414 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:28:06,416 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:28:06,417 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::{anonymous}::OutComponent}; _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’, 2026-07-11T21:28:06,418 inlined from ‘void std::vector<_Tp, _Alloc>::push_back(value_type&&) [with _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1294:21, 2026-07-11T21:28:06,419 inlined from ‘virtual bool OpenBabel::KETFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/src/formats/json/ketformat.cpp:1653:33: 2026-07-11T21:28:06,420 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:28:06,421 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-07-11T21:28:06,422 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:28:06,780 [296/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ikey_dll.c.o 2026-07-11T21:28:07,091 [297/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr7.c.o 2026-07-11T21:28:10,233 [298/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol2atom.c.o 2026-07-11T21:28:11,363 [299/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichister.c.o 2026-07-11T21:28:12,555 [300/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt2.c.o 2026-07-11T21:28:12,567 [301/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/inchi_dll.c.o 2026-07-11T21:28:13,016 [302/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/inchi_dll_a2.c.o 2026-07-11T21:28:14,582 [303/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt1.c.o 2026-07-11T21:28:15,421 [304/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt4.c.o 2026-07-11T21:28:15,878 [305/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt3.c.o 2026-07-11T21:28:16,832 [306/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichitaut.c.o 2026-07-11T21:28:17,501 [307/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/readinch.c.o 2026-07-11T21:28:17,800 [308/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr3.c.o 2026-07-11T21:28:18,265 [309/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi4.c.o 2026-07-11T21:28:19,215 [310/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi.c.o 2026-07-11T21:28:20,051 [311/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/sha2.c.o 2026-07-11T21:28:20,328 [312/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi2.c.o 2026-07-11T21:28:21,541 [313/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/util.c.o 2026-07-11T21:28:22,198 [314/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi3.c.o 2026-07-11T21:28:26,062 [315/480] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o 2026-07-11T21:28:27,034 [316/480] Linking CXX executable bin/obabel 2026-07-11T21:28:27,929 [317/480] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o 2026-07-11T21:28:27,930 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:27,930 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:28:27,931 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obconformer.cpp:25: 2026-07-11T21:28:27,932 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:27,933 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:27,934 281 | return ! ( (*this) == other ); 2026-07-11T21:28:27,935 | ^~~~~ 2026-07-11T21:28:27,936 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:27,937 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:27,938 | ^~~~~~~~ 2026-07-11T21:28:27,939 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:23, 2026-07-11T21:28:27,940 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotamer.h:26, 2026-07-11T21:28:27,941 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obconformer.cpp:29: 2026-07-11T21:28:27,942 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:28:27,943 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,944 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:27,945 | ^ 2026-07-11T21:28:27,945 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,946 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,947 | ^~~~~~~~~ 2026-07-11T21:28:27,948 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,949 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:27,949 | ^ 2026-07-11T21:28:27,950 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,951 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,952 | ^~~~~~~~~ 2026-07-11T21:28:27,953 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,954 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:27,955 | ^ 2026-07-11T21:28:27,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,957 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,958 | ^~~~~~~~~ 2026-07-11T21:28:27,959 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,961 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:27,962 | ^ 2026-07-11T21:28:27,962 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,963 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,964 | ^~~~~~~~~ 2026-07-11T21:28:27,965 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:28:27,966 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,967 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:27,968 | ^ 2026-07-11T21:28:27,969 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,970 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,971 | ^~~~~~~~~ 2026-07-11T21:28:27,986 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,986 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:27,987 | ^ 2026-07-11T21:28:27,988 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,989 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,990 | ^~~~~~~~~ 2026-07-11T21:28:27,991 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,992 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:27,993 | ^ 2026-07-11T21:28:27,994 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:27,995 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:27,996 | ^~~~~~~~~ 2026-07-11T21:28:27,997 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:27,998 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:27,999 | ^ 2026-07-11T21:28:28,000 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:28,001 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:28,002 | ^~~~~~~~~ 2026-07-11T21:28:28,348 [318/480] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o 2026-07-11T21:28:28,349 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:28,350 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:26, 2026-07-11T21:28:28,351 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obenergy.cpp:27: 2026-07-11T21:28:28,352 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:28,353 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:28,354 281 | return ! ( (*this) == other ); 2026-07-11T21:28:28,355 | ^~~~~ 2026-07-11T21:28:28,356 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:28,357 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:28,358 | ^~~~~~~~ 2026-07-11T21:28:28,591 [319/480] Linking CXX executable bin/obconformer 2026-07-11T21:28:29,172 [320/480] Linking CXX executable bin/obenergy 2026-07-11T21:28:29,629 [321/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/strutil.c.o 2026-07-11T21:28:30,181 [322/480] Linking C shared library lib/libinchi.so.1.07.5 2026-07-11T21:28:30,312 [323/480] Creating library symlink lib/libinchi.so.1 lib/libinchi.so 2026-07-11T21:28:31,151 [324/480] Linking CXX shared module lib/smilesformat.so 2026-07-11T21:28:31,992 [325/480] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o 2026-07-11T21:28:31,994 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obfit.cpp:36: 2026-07-11T21:28:31,995 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:28:31,996 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:31,997 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:31,998 | ^ 2026-07-11T21:28:31,999 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,001 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,002 | ^~~~~~~~~ 2026-07-11T21:28:32,003 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,004 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:32,006 | ^ 2026-07-11T21:28:32,007 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,026 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,027 | ^~~~~~~~~ 2026-07-11T21:28:32,027 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,029 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:32,030 | ^ 2026-07-11T21:28:32,030 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,032 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,033 | ^~~~~~~~~ 2026-07-11T21:28:32,034 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,035 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:32,046 | ^ 2026-07-11T21:28:32,046 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,047 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,048 | ^~~~~~~~~ 2026-07-11T21:28:32,049 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:28:32,050 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,051 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:32,051 | ^ 2026-07-11T21:28:32,052 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,053 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,054 | ^~~~~~~~~ 2026-07-11T21:28:32,055 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,056 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:32,057 | ^ 2026-07-11T21:28:32,059 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,060 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,061 | ^~~~~~~~~ 2026-07-11T21:28:32,062 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,064 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:32,065 | ^ 2026-07-11T21:28:32,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,067 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,068 | ^~~~~~~~~ 2026-07-11T21:28:32,069 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:32,070 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:32,071 | ^ 2026-07-11T21:28:32,072 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:32,073 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:32,075 | ^~~~~~~~~ 2026-07-11T21:28:32,076 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obfit.cpp:38: 2026-07-11T21:28:32,077 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:32,078 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:32,086 281 | return ! ( (*this) == other ); 2026-07-11T21:28:32,087 | ^~~~~ 2026-07-11T21:28:32,087 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:32,088 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:32,089 | ^~~~~~~~ 2026-07-11T21:28:32,218 [326/480] Linking CXX shared module lib/mdlformat.so 2026-07-11T21:28:32,686 [327/480] Linking CXX shared module lib/mol2format.so 2026-07-11T21:28:32,957 [328/480] Linking CXX shared module lib/pdbformat.so 2026-07-11T21:28:33,537 [329/480] Linking CXX shared module lib/asciiformat.so 2026-07-11T21:28:33,583 [330/480] Linking CXX shared module lib/inchiformat.so 2026-07-11T21:28:33,772 [331/480] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o 2026-07-11T21:28:33,773 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:33,774 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obfitall.cpp:36: 2026-07-11T21:28:33,776 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:33,777 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:33,778 281 | return ! ( (*this) == other ); 2026-07-11T21:28:33,779 | ^~~~~ 2026-07-11T21:28:33,780 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:33,781 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:33,782 | ^~~~~~~~ 2026-07-11T21:28:33,783 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obfitall.cpp:37: 2026-07-11T21:28:33,784 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:28:33,785 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,786 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:33,787 | ^ 2026-07-11T21:28:33,789 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,790 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,791 | ^~~~~~~~~ 2026-07-11T21:28:33,792 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,793 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:33,794 | ^ 2026-07-11T21:28:33,795 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,795 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,797 | ^~~~~~~~~ 2026-07-11T21:28:33,797 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,798 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:33,799 | ^ 2026-07-11T21:28:33,800 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,806 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,807 | ^~~~~~~~~ 2026-07-11T21:28:33,808 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,810 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:28:33,811 | ^ 2026-07-11T21:28:33,812 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,813 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,814 | ^~~~~~~~~ 2026-07-11T21:28:33,815 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:28:33,817 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,819 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:33,820 | ^ 2026-07-11T21:28:33,823 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,825 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,826 | ^~~~~~~~~ 2026-07-11T21:28:33,827 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,828 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:33,829 | ^ 2026-07-11T21:28:33,836 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,846 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,847 | ^~~~~~~~~ 2026-07-11T21:28:33,848 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,849 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:33,850 | ^ 2026-07-11T21:28:33,851 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,852 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,854 | ^~~~~~~~~ 2026-07-11T21:28:33,855 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:28:33,856 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:28:33,857 | ^ 2026-07-11T21:28:33,857 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:28:33,858 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:28:33,859 | ^~~~~~~~~ 2026-07-11T21:28:34,361 [332/480] Linking CXX shared module lib/copyformat.so 2026-07-11T21:28:34,447 [333/480] Linking CXX shared module lib/molreport.so 2026-07-11T21:28:34,639 [334/480] Linking CXX shared module lib/MNAformat.so 2026-07-11T21:28:35,156 [335/480] Linking CXX shared module lib/painterformat.so 2026-07-11T21:28:35,276 [336/480] Linking CXX shared module lib/nulformat.so 2026-07-11T21:28:35,528 [337/480] Linking CXX shared module lib/povrayformat.so 2026-07-11T21:28:35,537 [338/480] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o 2026-07-11T21:28:35,538 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:35,540 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:28:35,541 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obminimize.cpp:29: 2026-07-11T21:28:35,542 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:35,543 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:35,545 281 | return ! ( (*this) == other ); 2026-07-11T21:28:35,546 | ^~~~~ 2026-07-11T21:28:35,547 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:35,548 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:35,549 | ^~~~~~~~ 2026-07-11T21:28:35,852 [339/480] Linking CXX shared module lib/reportformat.so 2026-07-11T21:28:35,942 [340/480] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o 2026-07-11T21:28:35,943 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:35,944 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:28:35,945 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obgen.cpp:33: 2026-07-11T21:28:35,947 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:35,947 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:35,949 281 | return ! ( (*this) == other ); 2026-07-11T21:28:35,950 | ^~~~~ 2026-07-11T21:28:35,951 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:28:35,952 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:28:35,953 | ^~~~~~~~ 2026-07-11T21:28:36,137 [341/480] Linking CXX shared module lib/svgformat.so 2026-07-11T21:28:36,256 [342/480] Linking CXX shared module lib/textformat.so 2026-07-11T21:28:36,279 [343/480] Linking CXX shared module lib/titleformat.so 2026-07-11T21:28:36,741 [344/480] Linking CXX shared module lib/pngformat.so 2026-07-11T21:28:36,805 [345/480] Linking CXX shared module lib/confabreport.so 2026-07-11T21:28:36,873 [346/480] Linking CXX shared module lib/acesformat.so 2026-07-11T21:28:37,083 [347/480] Linking CXX shared module lib/adfformat.so 2026-07-11T21:28:37,171 [348/480] Linking CXX shared module lib/abinitformat.so 2026-07-11T21:28:37,586 [349/480] Linking CXX shared module lib/castepformat.so 2026-07-11T21:28:37,602 [350/480] Linking CXX shared module lib/aoforceformat.so 2026-07-11T21:28:37,880 [351/480] Linking CXX shared module lib/crystal09format.so 2026-07-11T21:28:37,948 [352/480] Linking CXX shared module lib/daltonformat.so 2026-07-11T21:28:38,026 [353/480] Linking CXX shared module lib/dmolformat.so 2026-07-11T21:28:38,492 [354/480] Linking CXX shared module lib/fhiaimsformat.so 2026-07-11T21:28:38,647 [355/480] Linking CXX shared module lib/fchkformat.so 2026-07-11T21:28:38,685 [356/480] Linking CXX shared module lib/gaussformat.so 2026-07-11T21:28:38,847 [357/480] Linking CXX shared module lib/gausscubeformat.so 2026-07-11T21:28:38,863 [358/480] Linking CXX shared module lib/gamessformat.so 2026-07-11T21:28:39,358 [359/480] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o 2026-07-11T21:28:39,359 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:28:39,360 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obmm.cpp:56: 2026-07-11T21:28:39,361 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:28:39,362 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:28:39,363 281 | return ! 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tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o 2026-07-11T21:28:57,501 [457/480] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o 2026-07-11T21:28:57,987 [458/480] Linking CXX executable bin/obtautomer 2026-07-11T21:28:58,282 [459/480] Linking CXX executable bin/obsym 2026-07-11T21:29:00,232 [460/480] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o 2026-07-11T21:29:00,233 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:29:00,234 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:26, 2026-07-11T21:29:00,235 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obprobe.cpp:30: 2026-07-11T21:29:00,236 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:29:00,237 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:29:00,238 281 | return ! ( (*this) == other ); 2026-07-11T21:29:00,239 | ^~~~~ 2026-07-11T21:29:00,240 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:29:00,241 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:29:00,242 | ^~~~~~~~ 2026-07-11T21:29:00,675 [461/480] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o 2026-07-11T21:29:00,676 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:29:00,677 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:26, 2026-07-11T21:29:00,678 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obprop.cpp:31: 2026-07-11T21:29:00,679 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:29:00,680 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:29:00,681 281 | return ! ( (*this) == other ); 2026-07-11T21:29:00,682 | ^~~~~ 2026-07-11T21:29:00,683 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:29:00,684 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:29:00,686 | ^~~~~~~~ 2026-07-11T21:29:00,889 [462/480] Linking CXX executable bin/obprobe 2026-07-11T21:29:01,417 [463/480] Linking CXX executable bin/obprop 2026-07-11T21:29:01,539 [464/480] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o 2026-07-11T21:29:01,540 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:29:01,541 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obrotate.cpp:39: 2026-07-11T21:29:01,542 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:29:01,543 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:29:01,544 281 | return ! ( (*this) == other ); 2026-07-11T21:29:01,545 | ^~~~~ 2026-07-11T21:29:01,546 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:29:01,547 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:29:01,548 | ^~~~~~~~ 2026-07-11T21:29:01,549 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obrotate.cpp:40: 2026-07-11T21:29:01,550 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:29:01,551 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,552 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:01,553 | ^ 2026-07-11T21:29:01,553 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,554 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,556 | ^~~~~~~~~ 2026-07-11T21:29:01,556 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,557 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:01,558 | ^ 2026-07-11T21:29:01,559 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,560 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,561 | ^~~~~~~~~ 2026-07-11T21:29:01,562 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,563 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:01,565 | ^ 2026-07-11T21:29:01,566 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,567 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,568 | ^~~~~~~~~ 2026-07-11T21:29:01,569 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,570 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:01,571 | ^ 2026-07-11T21:29:01,572 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,573 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,574 | ^~~~~~~~~ 2026-07-11T21:29:01,576 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:29:01,577 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,578 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:01,586 | ^ 2026-07-11T21:29:01,586 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,587 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,588 | ^~~~~~~~~ 2026-07-11T21:29:01,589 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,590 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:01,591 | ^ 2026-07-11T21:29:01,592 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,593 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,594 | ^~~~~~~~~ 2026-07-11T21:29:01,594 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,595 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:01,596 | ^ 2026-07-11T21:29:01,597 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,598 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,599 | ^~~~~~~~~ 2026-07-11T21:29:01,600 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:01,601 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:01,602 | ^ 2026-07-11T21:29:01,603 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:01,604 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:01,605 | ^~~~~~~~~ 2026-07-11T21:29:02,215 [465/480] Linking CXX executable bin/obrotate 2026-07-11T21:29:04,701 [466/480] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o 2026-07-11T21:29:05,308 [467/480] Linking CXX executable bin/obthermo 2026-07-11T21:29:06,135 [468/480] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o 2026-07-11T21:29:06,136 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotor.h:23, 2026-07-11T21:29:06,137 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotamer.h:26, 2026-07-11T21:29:06,138 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obrotamer.cpp:28: 2026-07-11T21:29:06,139 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:29:06,140 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,141 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,141 | ^ 2026-07-11T21:29:06,142 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,143 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,144 | ^~~~~~~~~ 2026-07-11T21:29:06,145 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,146 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,147 | ^ 2026-07-11T21:29:06,148 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,148 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,149 | ^~~~~~~~~ 2026-07-11T21:29:06,150 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,151 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,152 | ^ 2026-07-11T21:29:06,153 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,154 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,155 | ^~~~~~~~~ 2026-07-11T21:29:06,156 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,157 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,158 | ^ 2026-07-11T21:29:06,159 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,160 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,161 | ^~~~~~~~~ 2026-07-11T21:29:06,162 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:29:06,163 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,164 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,175 | ^ 2026-07-11T21:29:06,176 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,177 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,178 | ^~~~~~~~~ 2026-07-11T21:29:06,179 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,180 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,181 | ^ 2026-07-11T21:29:06,182 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,183 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,184 | ^~~~~~~~~ 2026-07-11T21:29:06,184 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,185 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,186 | ^ 2026-07-11T21:29:06,187 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,188 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,189 | ^~~~~~~~~ 2026-07-11T21:29:06,190 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,192 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,193 | ^ 2026-07-11T21:29:06,194 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,195 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,196 | ^~~~~~~~~ 2026-07-11T21:29:06,197 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:26, 2026-07-11T21:29:06,198 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/transform3d.h:23, 2026-07-11T21:29:06,199 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/spacegroup.h:23, 2026-07-11T21:29:06,201 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:29, 2026-07-11T21:29:06,202 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/rotamer.h:27: 2026-07-11T21:29:06,203 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:29:06,204 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:29:06,206 281 | return ! ( (*this) == other ); 2026-07-11T21:29:06,207 | ^~~~~ 2026-07-11T21:29:06,208 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:29:06,209 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:29:06,210 | ^~~~~~~~ 2026-07-11T21:29:06,793 [469/480] Linking CXX executable bin/obrotamer 2026-07-11T21:29:06,927 [470/480] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o 2026-07-11T21:29:06,928 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obgrep.cpp:29: 2026-07-11T21:29:06,929 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:29:06,930 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,931 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,931 | ^ 2026-07-11T21:29:06,932 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,933 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,934 | ^~~~~~~~~ 2026-07-11T21:29:06,935 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,936 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,938 | ^ 2026-07-11T21:29:06,939 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,940 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,941 | ^~~~~~~~~ 2026-07-11T21:29:06,942 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,943 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,944 | ^ 2026-07-11T21:29:06,944 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,946 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,947 | ^~~~~~~~~ 2026-07-11T21:29:06,948 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,949 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:06,958 | ^ 2026-07-11T21:29:06,959 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,959 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,960 | ^~~~~~~~~ 2026-07-11T21:29:06,961 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:29:06,962 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,962 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,963 | ^ 2026-07-11T21:29:06,964 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,965 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,966 | ^~~~~~~~~ 2026-07-11T21:29:06,966 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,967 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,968 | ^ 2026-07-11T21:29:06,969 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,970 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,971 | ^~~~~~~~~ 2026-07-11T21:29:06,973 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,974 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,974 | ^ 2026-07-11T21:29:06,975 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,976 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,977 | ^~~~~~~~~ 2026-07-11T21:29:06,978 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:06,979 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:06,980 | ^ 2026-07-11T21:29:06,996 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:06,997 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:06,997 | ^~~~~~~~~ 2026-07-11T21:29:07,533 [471/480] Linking CXX executable bin/obgrep 2026-07-11T21:29:07,918 [472/480] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o 2026-07-11T21:29:07,919 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:29:07,919 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/forcefield.h:27, 2026-07-11T21:29:07,920 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obdistgen.cpp:30: 2026-07-11T21:29:07,921 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:29:07,922 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:29:07,923 281 | return ! ( (*this) == other ); 2026-07-11T21:29:07,923 | ^~~~~ 2026-07-11T21:29:07,924 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:29:07,925 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:29:07,926 | ^~~~~~~~ 2026-07-11T21:29:08,347 [473/480] Linking CXX executable bin/obdistgen 2026-07-11T21:29:09,768 [474/480] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o 2026-07-11T21:29:09,769 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obrms.cpp:33: 2026-07-11T21:29:09,770 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-07-11T21:29:09,771 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,772 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:09,773 | ^ 2026-07-11T21:29:09,774 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,775 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,776 | ^~~~~~~~~ 2026-07-11T21:29:09,776 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,777 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:09,778 | ^ 2026-07-11T21:29:09,779 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,780 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,781 | ^~~~~~~~~ 2026-07-11T21:29:09,781 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,782 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:09,783 | ^ 2026-07-11T21:29:09,783 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,784 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,784 | ^~~~~~~~~ 2026-07-11T21:29:09,785 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,786 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-07-11T21:29:09,786 | ^ 2026-07-11T21:29:09,787 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,787 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,787 | ^~~~~~~~~ 2026-07-11T21:29:09,788 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-07-11T21:29:09,789 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,789 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:09,790 | ^ 2026-07-11T21:29:09,790 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,791 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,792 | ^~~~~~~~~ 2026-07-11T21:29:09,793 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,793 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:09,794 | ^ 2026-07-11T21:29:09,795 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,796 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,797 | ^~~~~~~~~ 2026-07-11T21:29:09,798 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,798 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:09,799 | ^ 2026-07-11T21:29:09,800 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,800 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,801 | ^~~~~~~~~ 2026-07-11T21:29:09,802 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-07-11T21:29:09,803 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-07-11T21:29:09,804 | ^ 2026-07-11T21:29:09,804 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/parsmart.h:158:37: note: declared here 2026-07-11T21:29:09,805 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-07-11T21:29:09,806 | ^~~~~~~~~ 2026-07-11T21:29:09,806 In file included from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/atom.h:35, 2026-07-11T21:29:09,807 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bond.h:32, 2026-07-11T21:29:09,808 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/query.h:27, 2026-07-11T21:29:09,808 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obrms.cpp:35: 2026-07-11T21:29:09,809 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-07-11T21:29:09,810 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-07-11T21:29:09,811 281 | return ! ( (*this) == other ); 2026-07-11T21:29:09,811 | ^~~~~ 2026-07-11T21:29:09,812 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/vector3.h:274:10: note: declared here 2026-07-11T21:29:09,813 274 | bool operator== ( const vector3& ) const; 2026-07-11T21:29:09,814 | ^~~~~~~~ 2026-07-11T21:29:09,815 In file included from /usr/include/c++/12/vector:70, 2026-07-11T21:29:09,815 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/mol.h:44, 2026-07-11T21:29:09,816 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/tools/obrms.cpp:32: 2026-07-11T21:29:09,817 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:29:09,818 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:29:09,819 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:29:09,820 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:29:09,820 In file included from /usr/include/c++/12/vector:64: 2026-07-11T21:29:09,821 /usr/include/c++/12/bits/stl_vector.h: In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:29:09,822 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:29:09,823 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:29:09,824 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:29:10,182 [475/480] Linking CXX executable bin/obrms 2026-07-11T21:29:10,467 [476/480] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o 2026-07-11T21:29:10,805 [477/480] Linking CXX executable bin/obspectrophore 2026-07-11T21:29:25,574 [478/480] Generating /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp, ../lib/python/openbabel/openbabel.py 2026-07-11T21:29:25,575 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored) 2026-07-11T21:29:25,575 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored) 2026-07-11T21:29:25,576 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/spectrophore.h:569: Warning 312: Nested struct not currently supported (ignored). 2026-07-11T21:29:25,576 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/spectrophore.h:576: Warning 312: Nested struct not currently supported (ignored). 2026-07-11T21:29:25,577 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/bitvec.h:59: Warning 560: Unknown Doxygen command: users. 2026-07-11T21:29:25,577 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$a. 2026-07-11T21:29:25,578 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$c. 2026-07-11T21:29:25,578 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$S. 2026-07-11T21:29:25,579 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:628: Warning 560: Unknown Doxygen command: f$S. 2026-07-11T21:29:25,579 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:628: Warning 566: Unexpected iterator value in DoxygenParser::parse 2026-07-11T21:29:25,580 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:649: Warning 562: Expected Doxygen command: f$. 2026-07-11T21:29:25,580 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:649: Warning 566: Unexpected iterator value in DoxygenParser::parse 2026-07-11T21:29:25,581 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:649: Warning 561: Unexpected end of Doxygen comment encountered. 2026-07-11T21:29:25,581 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:624: Warning 560: Unknown Doxygen command: f$a. 2026-07-11T21:29:25,582 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:624: Warning 560: Unknown Doxygen command: f$c. 2026-07-11T21:29:25,583 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:631: Warning 560: Unknown Doxygen command: f$S. 2026-07-11T21:29:25,583 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:660: Warning 562: Expected Doxygen command: f$. 2026-07-11T21:29:25,584 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:660: Warning 566: Unexpected iterator value in DoxygenParser::parse 2026-07-11T21:29:25,584 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/stereo/stereo.h:660: Warning 561: Unexpected end of Doxygen comment encountered. 2026-07-11T21:29:25,584 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:404: Warning 509: Overloaded method OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const *) effectively ignored, 2026-07-11T21:29:25,585 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:403: Warning 509: as it is shadowed by OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const &). 2026-07-11T21:29:25,586 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:407: Warning 509: Overloaded method OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const *) effectively ignored, 2026-07-11T21:29:25,586 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:406: Warning 509: as it is shadowed by OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const &). 2026-07-11T21:29:25,587 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:410: Warning 509: Overloaded method OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const *) effectively ignored, 2026-07-11T21:29:25,587 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:409: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const &). 2026-07-11T21:29:25,587 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:413: Warning 509: Overloaded method OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const *) effectively ignored, 2026-07-11T21:29:25,588 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/obiter.h:412: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const &). 2026-07-11T21:32:31,923 [479/480] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o 2026-07-11T21:32:31,924 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:48648:117: warning: trigraph ??) ignored, use -trigraphs to enable [-Wtrigraphs] 2026-07-11T21:32:31,925 48648 | { "OBBond_SetWedgeOrHash", _wrap_OBBond_SetWedgeOrHash, METH_VARARGS, "Set the WedgeOrHash flag on a bond (??)"}, 2026-07-11T21:32:31,926 | 2026-07-11T21:32:31,926 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:56366:117: warning: trigraph ??) ignored, use -trigraphs to enable [-Wtrigraphs] 2026-07-11T21:32:31,927 56366 | { "OBBond_SetWedgeOrHash", _wrap_OBBond_SetWedgeOrHash, METH_VARARGS, "Set the WedgeOrHash flag on a bond (??)"}, 2026-07-11T21:32:31,927 | 2026-07-11T21:32:31,928 In file included from /usr/include/c++/12/vector:64, 2026-07-11T21:32:31,929 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/oberror.h:28, 2026-07-11T21:32:31,929 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/math/matrix3x3.h:27, 2026-07-11T21:32:31,930 from /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:3887: 2026-07-11T21:32:31,931 /usr/include/c++/12/bits/stl_vector.h: In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:32:31,931 /usr/include/c++/12/bits/stl_vector.h:1477:9: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:31,932 1477 | insert(const_iterator __position, _InputIterator __first, 2026-07-11T21:32:31,933 | ^~~~~~ 2026-07-11T21:32:31,933 /usr/include/c++/12/bits/stl_vector.h:1477:9: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,934 /usr/include/c++/12/bits/stl_vector.h:1477:9: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,935 In file included from /usr/include/c++/12/vector:70: 2026-07-11T21:32:31,935 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2026-07-11T21:32:31,936 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:31,936 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:32:31,937 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,937 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:32:31,938 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5266:30, 2026-07-11T21:32:31,938 inlined from ‘std::vector* std_vector_Sl_double_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5959:28, 2026-07-11T21:32:31,939 inlined from ‘PyObject* _wrap_vectorDouble___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:9424:108, 2026-07-11T21:32:31,939 inlined from ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:9495:50: 2026-07-11T21:32:31,940 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,941 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:32:31,942 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:32:31,943 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-07-11T21:32:31,944 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5281:28, 2026-07-11T21:32:31,944 inlined from ‘std::vector* std_vector_Sl_double_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5959:28, 2026-07-11T21:32:31,945 inlined from ‘PyObject* _wrap_vectorDouble___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:9424:108, 2026-07-11T21:32:31,946 inlined from ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:9495:50: 2026-07-11T21:32:31,946 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,947 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:32:31,947 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:32:31,948 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp: In function ‘void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]’: 2026-07-11T21:32:31,948 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:31,949 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-07-11T21:32:31,950 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,950 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,951 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:31,951 5316 | self->insert(sb, is.begin(), is.end()); 2026-07-11T21:32:31,952 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,952 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,953 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp: In function ‘void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]’: 2026-07-11T21:32:31,954 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:31,954 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-07-11T21:32:31,955 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,956 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:31,957 5316 | self->insert(sb, is.begin(), is.end()); 2026-07-11T21:32:31,958 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,958 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,959 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:32:31,960 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:31,960 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:32:31,961 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,962 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:32:31,962 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5266:30, 2026-07-11T21:32:31,963 inlined from ‘std::vector* std_vector_Sl_OpenBabel_vector3_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6443:28, 2026-07-11T21:32:31,963 inlined from ‘PyObject* _wrap_vectorVector3___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:10423:143, 2026-07-11T21:32:31,964 inlined from ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:10495:51: 2026-07-11T21:32:31,964 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,965 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:32:31,966 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:32:31,967 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:32:31,967 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5281:28, 2026-07-11T21:32:31,968 inlined from ‘std::vector* std_vector_Sl_OpenBabel_vector3_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6443:28, 2026-07-11T21:32:31,969 inlined from ‘PyObject* _wrap_vectorVector3___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:10423:143, 2026-07-11T21:32:31,970 inlined from ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:10495:51: 2026-07-11T21:32:31,971 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,971 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:32:31,972 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:32:31,973 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:32:31,973 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:31,974 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:32:31,975 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,976 /usr/include/c++/12/bits/vector.tcc: In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(iterator, iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:32:31,977 /usr/include/c++/12/bits/vector.tcc:189:5: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:31,977 189 | vector<_Tp, _Alloc>:: 2026-07-11T21:32:31,978 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,978 /usr/include/c++/12/bits/vector.tcc:189:5: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:31,979 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:32:31,980 inlined from ‘void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5365:20, 2026-07-11T21:32:31,981 inlined from ‘void std_vector_Sl_OpenBabel_OBMol_Sg____delslice__(std::vector*, std::vector::difference_type, std::vector::difference_type)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6611:21, 2026-07-11T21:32:31,981 inlined from ‘PyObject* _wrap_vectorOBMol___delslice__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11109:51: 2026-07-11T21:32:31,982 /usr/include/c++/12/bits/stl_vector.h:1561:24: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,983 1561 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); 2026-07-11T21:32:31,984 | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,985 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:32:31,986 inlined from ‘void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5365:20, 2026-07-11T21:32:31,986 inlined from ‘void std_vector_Sl_OpenBabel_OBMol_Sg____setitem____SWIG_1(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6647:21: 2026-07-11T21:32:31,987 /usr/include/c++/12/bits/stl_vector.h:1561:24: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,988 1561 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); 2026-07-11T21:32:31,989 | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,989 In file included from /usr/include/c++/12/vector:63: 2026-07-11T21:32:31,990 /usr/include/c++/12/bits/stl_uninitialized.h: In function ‘_ForwardIterator std::__do_uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’: 2026-07-11T21:32:31,991 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,992 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-07-11T21:32:31,993 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:32:31,993 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,994 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:31,995 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:31,996 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:31,996 inlined from ‘std::vector<_Tp, _Alloc>::pointer std::vector<_Tp, _Alloc>::_M_allocate_and_copy(size_type, _ForwardIterator, _ForwardIterator) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1617:35, 2026-07-11T21:32:31,997 inlined from ‘std::vector<_Tp, _Alloc>& std::vector<_Tp, _Alloc>::operator=(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/vector.tcc:232:44: 2026-07-11T21:32:31,997 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:31,998 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:31,999 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,000 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,001 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,001 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,002 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:32:32,003 inlined from ‘SwigValueWrapper& SwigValueWrapper::operator=(const T&) [with T = std::vector]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:3763:66, 2026-07-11T21:32:32,004 inlined from ‘PyObject* _wrap_OBOrbitalData_SetAlphaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:21026:15: 2026-07-11T21:32:32,004 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,005 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,006 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,006 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,007 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,007 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,008 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:32:32,009 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:918:15, 2026-07-11T21:32:32,010 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:925:41: 2026-07-11T21:32:32,011 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,012 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,012 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,013 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,014 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,014 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,015 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:32:32,016 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:918:15, 2026-07-11T21:32:32,017 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:925:41: 2026-07-11T21:32:32,017 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,018 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,018 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,019 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,019 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,020 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,021 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:32:32,022 inlined from ‘std::vector OpenBabel::OBOrbitalData::GetAlphaOrbitals()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:942:56, 2026-07-11T21:32:32,022 inlined from ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:21113:99: 2026-07-11T21:32:32,023 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,024 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,024 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,025 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,026 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,027 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,028 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:32:32,028 inlined from ‘std::vector OpenBabel::OBOrbitalData::GetBetaOrbitals()’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/include/openbabel/generic.h:943:55, 2026-07-11T21:32:32,030 inlined from ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:21122:98: 2026-07-11T21:32:32,030 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,031 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,031 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,032 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,033 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,034 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBOrbital*; _Tp = OpenBabel::OBOrbital]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,035 inlined from ‘std::vector<_Tp, _Alloc>::vector(const std::vector<_Tp, _Alloc>&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:601:31, 2026-07-11T21:32:32,035 inlined from ‘SwigValueWrapper& SwigValueWrapper::operator=(const T&) [with T = std::vector]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:3763:66, 2026-07-11T21:32:32,036 inlined from ‘PyObject* _wrap_OBOrbitalData_SetBetaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:21043:15: 2026-07-11T21:32:32,037 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,037 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,039 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,039 /usr/include/c++/12/bits/stl_uninitialized.h: In function ‘_ForwardIterator std::__do_uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*]’: 2026-07-11T21:32:32,040 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,040 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-07-11T21:32:32,041 | ^~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,041 /usr/include/c++/12/bits/stl_uninitialized.h:113:5: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,042 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,042 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,043 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*; _Tp = OpenBabel::OBMol]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,044 inlined from ‘void std::vector<_Tp, _Alloc>::_M_range_initialize(_ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1690:33, 2026-07-11T21:32:32,045 inlined from ‘std::vector<_Tp, _Alloc>::vector(_InputIterator, _InputIterator, const allocator_type&) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:706:23, 2026-07-11T21:32:32,046 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5260:16, 2026-07-11T21:32:32,046 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getslice__(std::vector*, std::vector::difference_type, std::vector::difference_type)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6602:28, 2026-07-11T21:32:32,047 inlined from ‘PyObject* _wrap_vectorOBMol___getslice__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11038:130: 2026-07-11T21:32:32,048 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,049 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,049 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,050 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’: 2026-07-11T21:32:32,051 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:32,051 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:32:32,052 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,053 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-07-11T21:32:32,053 inlined from ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1389:30, 2026-07-11T21:32:32,054 inlined from ‘static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = OpenBabel::vector3]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5400:22, 2026-07-11T21:32:32,055 inlined from ‘static int swig::traits_asptr_stdseq::asptr(PyObject*, sequence**) [with Seq = std::vector; T = OpenBabel::vector3]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5445:45: 2026-07-11T21:32:32,056 /usr/include/c++/12/bits/vector.tcc:366:26: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,057 366 | _M_realloc_insert(begin() + __n, std::move(__v)); 2026-07-11T21:32:32,058 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,058 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {OpenBabel::OBMol}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:32:32,059 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-07-11T21:32:32,060 439 | vector<_Tp, _Alloc>:: 2026-07-11T21:32:32,061 | ^~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,062 /usr/include/c++/12/bits/stl_vector.h: In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’: 2026-07-11T21:32:32,062 /usr/include/c++/12/bits/stl_vector.h:1477:9: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:32,063 1477 | insert(const_iterator __position, _InputIterator __first, 2026-07-11T21:32:32,064 | ^~~~~~ 2026-07-11T21:32:32,065 /usr/include/c++/12/bits/stl_vector.h:1477:9: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,065 /usr/include/c++/12/bits/stl_vector.h:1477:9: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp: In function ‘void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]’: 2026-07-11T21:32:32,066 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:32,067 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-07-11T21:32:32,067 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,068 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,068 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:32:32,069 inlined from ‘void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5313:22: 2026-07-11T21:32:32,070 /usr/include/c++/12/bits/stl_vector.h:1561:24: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,071 1561 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); 2026-07-11T21:32:32,072 | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,072 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp: In function ‘void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]’: 2026-07-11T21:32:32,073 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:32,074 5316 | self->insert(sb, is.begin(), is.end()); 2026-07-11T21:32:32,075 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,076 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,077 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp: In function ‘void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector; Difference = int; InputSeq = std::vector]’: 2026-07-11T21:32:32,078 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:32,079 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-07-11T21:32:32,080 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,080 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,081 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-07-11T21:32:32,082 5316 | self->insert(sb, is.begin(), is.end()); 2026-07-11T21:32:32,082 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,083 /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,084 In static member function ‘static _ForwardIterator std::__uninitialized_copy<_TrivialValueTypes>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*; bool _TrivialValueTypes = false]’, 2026-07-11T21:32:32,084 inlined from ‘_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*]’ at /usr/include/c++/12/bits/stl_uninitialized.h:185:15, 2026-07-11T21:32:32,085 inlined from ‘_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = OpenBabel::OBMol*; _Tp = OpenBabel::OBMol]’ at /usr/include/c++/12/bits/stl_uninitialized.h:372:37, 2026-07-11T21:32:32,086 inlined from ‘void std::vector<_Tp, _Alloc>::_M_range_initialize(_ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1690:33, 2026-07-11T21:32:32,087 inlined from ‘std::vector<_Tp, _Alloc>::vector(_InputIterator, _InputIterator, const allocator_type&) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:706:23, 2026-07-11T21:32:32,088 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5260:16, 2026-07-11T21:32:32,088 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6625:28, 2026-07-11T21:32:32,089 inlined from ‘PyObject* _wrap_vectorOBMol___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11133:137, 2026-07-11T21:32:32,090 inlined from ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11205:49: 2026-07-11T21:32:32,091 /usr/include/c++/12/bits/stl_uninitialized.h:137:39: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,092 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-07-11T21:32:32,092 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,093 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:32:32,093 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5266:30, 2026-07-11T21:32:32,094 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6625:28, 2026-07-11T21:32:32,094 inlined from ‘PyObject* _wrap_vectorOBMol___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11133:137, 2026-07-11T21:32:32,095 inlined from ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11205:49: 2026-07-11T21:32:32,096 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,096 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:32:32,097 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:32:32,098 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:32:32,099 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5281:28, 2026-07-11T21:32:32,100 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:6625:28, 2026-07-11T21:32:32,101 inlined from ‘PyObject* _wrap_vectorOBMol___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11133:137, 2026-07-11T21:32:32,101 inlined from ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:11205:49: 2026-07-11T21:32:32,102 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,102 1287 | _M_realloc_insert(end(), __x); 2026-07-11T21:32:32,103 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-07-11T21:32:32,104 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_insert_rval(const_iterator, value_type&&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-07-11T21:32:32,105 inlined from ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, value_type&&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’ at /usr/include/c++/12/bits/stl_vector.h:1389:30, 2026-07-11T21:32:32,106 inlined from ‘static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = OpenBabel::OBMol]’ at /tmp/pip-wheel-j1vu5vy6/openbabel_98452c9ef3ce43d080d5d07d4395056d/scripts/python/openbabel/openbabel-python.cpp:5400:22: 2026-07-11T21:32:32,107 /usr/include/c++/12/bits/vector.tcc:366:26: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-07-11T21:32:32,108 366 | _M_realloc_insert(begin() + __n, std::move(__v)); 2026-07-11T21:32:32,108 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-07-11T21:32:32,518 [480/480] Linking CXX shared module lib/python/openbabel/_openbabel.so 2026-07-11T21:32:32,523 *** Installing project into wheel... 2026-07-11T21:32:32,569 -- Install configuration: "Release" 2026-07-11T21:32:32,575 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/include/openbabel3/openbabel/babelconfig.h 2026-07-11T21:32:32,583 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/pkgconfig/openbabel-3.pc 2026-07-11T21:32:32,590 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake 2026-07-11T21:32:32,595 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake 2026-07-11T21:32:32,599 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3Config.cmake 2026-07-11T21:32:32,603 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake 2026-07-11T21:32:32,611 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/include/inchi/inchi_api.h 2026-07-11T21:32:32,616 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/include/openbabel3/openbabel/chemdrawcdx.h 2026-07-11T21:32:32,622 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/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libopenbabel.so.8 2026-07-11T21:32:33,421 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libopenbabel.so.8.0.0" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,537 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libopenbabel.so 2026-07-11T21:32:33,541 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_descriptors.so 2026-07-11T21:32:33,548 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_descriptors.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,565 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_fingerprints.so 2026-07-11T21:32:33,572 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_fingerprints.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,590 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_forcefields.so 2026-07-11T21:32:33,603 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_forcefields.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,632 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_ops.so 2026-07-11T21:32:33,644 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_ops.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,668 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_charges.so 2026-07-11T21:32:33,683 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/plugin_charges.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,712 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/smilesformat.so 2026-07-11T21:32:33,721 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/smilesformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,741 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mdlformat.so 2026-07-11T21:32:33,749 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mdlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,767 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mol2format.so 2026-07-11T21:32:33,773 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mol2format.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,788 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pdbformat.so 2026-07-11T21:32:33,793 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pdbformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,809 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/inchiformat.so 2026-07-11T21:32:33,816 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/inchiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,832 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/asciiformat.so 2026-07-11T21:32:33,837 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/asciiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,851 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/copyformat.so 2026-07-11T21:32:33,856 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/copyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,869 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/MNAformat.so 2026-07-11T21:32:33,875 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/MNAformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,895 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/molreport.so 2026-07-11T21:32:33,901 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/molreport.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,920 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/nulformat.so 2026-07-11T21:32:33,927 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/nulformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,945 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/painterformat.so 2026-07-11T21:32:33,952 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/painterformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,972 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/povrayformat.so 2026-07-11T21:32:33,979 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/povrayformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:33,999 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/reportformat.so 2026-07-11T21:32:34,006 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/reportformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,023 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/svgformat.so 2026-07-11T21:32:34,030 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/svgformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,050 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/textformat.so 2026-07-11T21:32:34,057 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/textformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,075 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/titleformat.so 2026-07-11T21:32:34,081 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/titleformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,100 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/confabreport.so 2026-07-11T21:32:34,107 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/confabreport.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,127 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pngformat.so 2026-07-11T21:32:34,134 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pngformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,154 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/acesformat.so 2026-07-11T21:32:34,161 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/acesformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,180 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/abinitformat.so 2026-07-11T21:32:34,186 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/abinitformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,204 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/adfformat.so 2026-07-11T21:32:34,211 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/adfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,232 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/aoforceformat.so 2026-07-11T21:32:34,239 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/aoforceformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,258 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/castepformat.so 2026-07-11T21:32:34,264 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/castepformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,284 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/crystal09format.so 2026-07-11T21:32:34,291 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/crystal09format.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,312 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/daltonformat.so 2026-07-11T21:32:34,319 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/daltonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,339 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/dmolformat.so 2026-07-11T21:32:34,346 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/dmolformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,366 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fchkformat.so 2026-07-11T21:32:34,373 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fchkformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,393 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fhiaimsformat.so 2026-07-11T21:32:34,401 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fhiaimsformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,423 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gamessformat.so 2026-07-11T21:32:34,432 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gamessformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,458 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gaussformat.so 2026-07-11T21:32:34,469 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gaussformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,495 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gausscubeformat.so 2026-07-11T21:32:34,505 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gausscubeformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,528 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gausszmatformat.so 2026-07-11T21:32:34,536 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gausszmatformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,558 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gulpformat.so 2026-07-11T21:32:34,566 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gulpformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,588 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/hinformat.so 2026-07-11T21:32:34,597 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/hinformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,618 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/jaguarformat.so 2026-07-11T21:32:34,627 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/jaguarformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,649 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/molproformat.so 2026-07-11T21:32:34,657 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/molproformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,680 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mopacformat.so 2026-07-11T21:32:34,688 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mopacformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,708 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/nwchemformat.so 2026-07-11T21:32:34,718 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/nwchemformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,740 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pwscfformat.so 2026-07-11T21:32:34,748 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pwscfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,767 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/qchemformat.so 2026-07-11T21:32:34,776 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/qchemformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,799 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/siestaformat.so 2026-07-11T21:32:34,808 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/siestaformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,830 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/turbomoleformat.so 2026-07-11T21:32:34,838 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/turbomoleformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,858 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/vaspformat.so 2026-07-11T21:32:34,867 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/vaspformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,890 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xsfformat.so 2026-07-11T21:32:34,898 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xsfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,918 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/zindoformat.so 2026-07-11T21:32:34,926 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/zindoformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,946 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gamessukformat.so 2026-07-11T21:32:34,958 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gamessukformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:34,988 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/orcaformat.so 2026-07-11T21:32:35,002 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/orcaformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,033 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/APIInterface.so 2026-07-11T21:32:35,041 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/APIInterface.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,062 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/CSRformat.so 2026-07-11T21:32:35,070 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/CSRformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,091 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/PQSformat.so 2026-07-11T21:32:35,099 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/PQSformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,120 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/MCDLformat.so 2026-07-11T21:32:35,129 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/MCDLformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,154 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/alchemyformat.so 2026-07-11T21:32:35,162 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/alchemyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,183 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/acrformat.so 2026-07-11T21:32:35,191 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/acrformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,214 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/amberformat.so 2026-07-11T21:32:35,222 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/amberformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,244 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/balstformat.so 2026-07-11T21:32:35,253 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/balstformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,275 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/bgfformat.so 2026-07-11T21:32:35,284 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/bgfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,307 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/boxformat.so 2026-07-11T21:32:35,315 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/boxformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,338 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cacaoformat.so 2026-07-11T21:32:35,346 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cacaoformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,367 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cacheformat.so 2026-07-11T21:32:35,375 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cacheformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,397 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/carformat.so 2026-07-11T21:32:35,405 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/carformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,427 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cccformat.so 2026-07-11T21:32:35,435 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cccformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,457 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chem3dformat.so 2026-07-11T21:32:35,465 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chem3dformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,487 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemdrawcdx.so 2026-07-11T21:32:35,496 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemdrawcdx.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,517 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemdrawct.so 2026-07-11T21:32:35,525 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemdrawct.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,545 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemkinformat.so 2026-07-11T21:32:35,555 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemkinformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,580 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemtoolformat.so 2026-07-11T21:32:35,587 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemtoolformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,609 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cifformat.so 2026-07-11T21:32:35,620 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cifformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,647 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cofformat.so 2026-07-11T21:32:35,655 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cofformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,678 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/crkformat.so 2026-07-11T21:32:35,686 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/crkformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,708 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cssrformat.so 2026-07-11T21:32:35,717 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cssrformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,739 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/dlpolyformat.so 2026-07-11T21:32:35,749 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/dlpolyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,772 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/exyzformat.so 2026-07-11T21:32:35,781 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/exyzformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,803 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fastsearchformat.so 2026-07-11T21:32:35,811 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fastsearchformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,833 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fastaformat.so 2026-07-11T21:32:35,845 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fastaformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,880 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/featformat.so 2026-07-11T21:32:35,888 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/featformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,909 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fhformat.so 2026-07-11T21:32:35,917 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fhformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,937 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fingerprintformat.so 2026-07-11T21:32:35,946 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fingerprintformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,967 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fpsformat.so 2026-07-11T21:32:35,975 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/fpsformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:35,996 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/freefracformat.so 2026-07-11T21:32:36,004 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/freefracformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,025 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/ghemicalformat.so 2026-07-11T21:32:36,034 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/ghemicalformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,055 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gromos96format.so 2026-07-11T21:32:36,063 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/gromos96format.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,083 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/groformat.so 2026-07-11T21:32:36,092 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/groformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,113 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/lmpdatformat.so 2026-07-11T21:32:36,121 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/lmpdatformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,143 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/lpmdformat.so 2026-07-11T21:32:36,151 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/lpmdformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,173 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mdffformat.so 2026-07-11T21:32:36,182 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mdffformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,205 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mmcifformat.so 2026-07-11T21:32:36,214 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mmcifformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,240 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mmodformat.so 2026-07-11T21:32:36,248 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mmodformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,270 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/moldenformat.so 2026-07-11T21:32:36,278 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/moldenformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,302 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mpdformat.so 2026-07-11T21:32:36,310 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mpdformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,332 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mpqcformat.so 2026-07-11T21:32:36,340 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/mpqcformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,362 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/msiformat.so 2026-07-11T21:32:36,370 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/msiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,392 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/msmsformat.so 2026-07-11T21:32:36,400 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/msmsformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,421 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/opendxformat.so 2026-07-11T21:32:36,430 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/opendxformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,452 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/outformat.so 2026-07-11T21:32:36,460 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/outformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,482 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pcmodelformat.so 2026-07-11T21:32:36,489 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pcmodelformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,511 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pdbqtformat.so 2026-07-11T21:32:36,522 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pdbqtformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,547 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pointcloudformat.so 2026-07-11T21:32:36,556 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pointcloudformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,578 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/posformat.so 2026-07-11T21:32:36,586 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/posformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,608 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pqrformat.so 2026-07-11T21:32:36,616 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pqrformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,639 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/rinchiformat.so 2026-07-11T21:32:36,647 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/rinchiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,669 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/rsmiformat.so 2026-07-11T21:32:36,678 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/rsmiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,701 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/rxnformat.so 2026-07-11T21:32:36,709 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/rxnformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,731 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/shelxformat.so 2026-07-11T21:32:36,739 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/shelxformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,760 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/smileyformat.so 2026-07-11T21:32:36,770 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/smileyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,793 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/stlformat.so 2026-07-11T21:32:36,802 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/stlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,824 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/thermoformat.so 2026-07-11T21:32:36,834 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/thermoformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,855 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/tinkerformat.so 2026-07-11T21:32:36,864 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/tinkerformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,887 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/unichemformat.so 2026-07-11T21:32:36,895 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/unichemformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,917 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/viewmolformat.so 2026-07-11T21:32:36,925 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/viewmolformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,947 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/wlnformat.so 2026-07-11T21:32:36,957 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/wlnformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:36,982 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xedformat.so 2026-07-11T21:32:36,990 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xedformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,012 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xyzformat.so 2026-07-11T21:32:37,020 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xyzformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,043 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/yasaraformat.so 2026-07-11T21:32:37,051 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/yasaraformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,073 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cdxmlformat.so 2026-07-11T21:32:37,082 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cdxmlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,108 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cmlformat.so 2026-07-11T21:32:37,121 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cmlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,153 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cmlreactformat.so 2026-07-11T21:32:37,164 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/cmlreactformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,194 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pubchem.so 2026-07-11T21:32:37,203 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pubchem.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,226 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xmlformat.so 2026-07-11T21:32:37,234 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/xmlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,257 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemdoodlejsonformat.so 2026-07-11T21:32:37,267 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemdoodlejsonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,292 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemicaljsonformat.so 2026-07-11T21:32:37,303 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/chemicaljsonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,329 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/ketformat.so 2026-07-11T21:32:37,341 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/ketformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,374 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pubchemjsonformat.so 2026-07-11T21:32:37,385 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/openbabel/3.2.1/pubchemjsonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,412 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libinchi.so.1.07.5 2026-07-11T21:32:37,443 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libinchi.so.1 2026-07-11T21:32:37,447 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libinchi.so.1.07.5" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,530 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/lib/libinchi.so 2026-07-11T21:32:37,539 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obabel 2026-07-11T21:32:37,547 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obabel" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,567 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obconformer 2026-07-11T21:32:37,574 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obconformer" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,595 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obenergy 2026-07-11T21:32:37,602 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obenergy" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,622 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obfit 2026-07-11T21:32:37,629 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obfit" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,650 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obfitall 2026-07-11T21:32:37,657 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obfitall" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,678 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obgen 2026-07-11T21:32:37,684 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obgen" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,705 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obminimize 2026-07-11T21:32:37,713 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obminimize" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,735 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obmm 2026-07-11T21:32:37,743 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obmm" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,764 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obprobe 2026-07-11T21:32:37,772 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obprobe" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,795 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obprop 2026-07-11T21:32:37,803 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obprop" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,825 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obrotamer 2026-07-11T21:32:37,833 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obrotamer" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,855 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obrotate 2026-07-11T21:32:37,863 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obrotate" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,885 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obsym 2026-07-11T21:32:37,892 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obsym" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,913 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obtautomer 2026-07-11T21:32:37,922 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obtautomer" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,943 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obthermo 2026-07-11T21:32:37,951 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obthermo" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:37,972 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obdistgen 2026-07-11T21:32:37,980 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obdistgen" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:38,001 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obgrep 2026-07-11T21:32:38,008 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obgrep" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:38,028 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obspectrophore 2026-07-11T21:32:38,036 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obspectrophore" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:38,059 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obrms 2026-07-11T21:32:38,066 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/bin/obrms" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:38,089 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/./_openbabel.so 2026-07-11T21:32:38,192 -- Set runtime path of "/tmp/tmplawev7t1/wheel/platlib/openbabel/./_openbabel.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-07-11T21:32:38,307 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/./__init__.py 2026-07-11T21:32:38,311 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/./openbabel.py 2026-07-11T21:32:38,320 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/./pybel.py 2026-07-11T21:32:38,324 -- Installing: /tmp/tmplawev7t1/wheel/platlib/openbabel/./executable.py 2026-07-11T21:32:38,334 *** Making wheel... 2026-07-11T21:32:44,903 *** Created openbabel-3.2.1-cp311-cp311-linux_armv7l.whl 2026-07-11T21:32:44,992 Building wheel for openbabel (pyproject.toml): finished with status 'done' 2026-07-11T21:32:45,117 Created wheel for openbabel: filename=openbabel-3.2.1-cp311-cp311-linux_armv7l.whl size=10153959 sha256=5c659f7886a9cc8ce75c50e22e6ea3025326ef652edf8e6070a81c075682e8da 2026-07-11T21:32:45,119 Stored in directory: /tmp/pip-ephem-wheel-cache-19b1ehgl/wheels/16/b6/27/4311de71f367ac8519f433865c99783c24cbb1a61feb937f42 2026-07-11T21:32:45,145 Successfully built openbabel 2026-07-11T21:32:45,405 Removed build tracker: '/tmp/pip-build-tracker-0b5p0wl7'