2026-05-26T22:00:41,616 Created temporary directory: /tmp/pip-ephem-wheel-cache-etp_7uwl 2026-05-26T22:00:41,618 Created temporary directory: /tmp/pip-build-tracker-yr66onrh 2026-05-26T22:00:41,619 Initialized build tracking at /tmp/pip-build-tracker-yr66onrh 2026-05-26T22:00:41,619 Created build tracker: /tmp/pip-build-tracker-yr66onrh 2026-05-26T22:00:41,619 Entered build tracker: /tmp/pip-build-tracker-yr66onrh 2026-05-26T22:00:41,620 Created temporary directory: /tmp/pip-wheel-37ma2zah 2026-05-26T22:00:41,623 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 2026-05-26T22:00:41,625 Created temporary directory: /tmp/pip-ephem-wheel-cache-gct5w6eo 2026-05-26T22:00:41,647 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-05-26T22:00:41,651 2 location(s) to search for versions of openbabel: 2026-05-26T22:00:41,651 * https://pypi.org/simple/openbabel/ 2026-05-26T22:00:41,651 * https://www.piwheels.org/simple/openbabel/ 2026-05-26T22:00:41,651 Fetching project page and analyzing links: https://pypi.org/simple/openbabel/ 2026-05-26T22:00:41,652 Getting page https://pypi.org/simple/openbabel/ 2026-05-26T22:00:41,653 Found index url https://pypi.org/simple 2026-05-26T22:00:41,887 Fetched page https://pypi.org/simple/openbabel/ as application/vnd.pypi.simple.v1+json 2026-05-26T22:00:41,902 Found link https://files.pythonhosted.org/packages/12/52/bb5e38737d41df09d11818031aa8de58620cd2689e872c9d3127d9eb9e37/openbabel-1.8.tar.gz (from 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2026-05-26T22:00:41,906 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/) 2026-05-26T22:00:41,907 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/) 2026-05-26T22:00:41,907 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/) 2026-05-26T22:00:41,908 Skipping link: No binaries permitted for openbabel: 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2026-05-26T22:00:41,929 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/fc/83/70e05bd654e0e5cca1a22b31a434f3fc5ad9cee5dbef0dce44354fe413f5/openbabel-3.1.1-cp27-cp27m-win_amd64.whl (from https://pypi.org/simple/openbabel/) 2026-05-26T22:00:41,929 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/83/af/1d8f8d1616b6d3f7ef3977d9848c4950766ccd8ce82858fa4259998f5754/openbabel-3.1.1-cp35-cp35m-win32.whl (from https://pypi.org/simple/openbabel/) 2026-05-26T22:00:41,930 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/89/26/226b4dd473df6e19c5e8ca8d1af4b85875d59ef571664639935686fcf611/openbabel-3.1.1-cp35-cp35m-win_amd64.whl (from https://pypi.org/simple/openbabel/) 2026-05-26T22:00:41,930 Skipping link: No binaries permitted for openbabel: 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https://files.pythonhosted.org/packages/4c/ce/7a4651eb32860bb3d47b056e508d69df600724899e79b0d57063aa14937c/openbabel-3.2.0-cp313-cp313-win_amd64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-05-26T22:00:41,945 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/e5/bd/dc1484917ded358ca2be66972de9c010dbad02df6bbfc1f47e99404a5d08/openbabel-3.2.0-cp314-cp314-macosx_10_15_x86_64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-05-26T22:00:41,946 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/ac/5f/4322533ef75c841f03bf8a2f333a3c40d2340133b6e7f55ca0cd59a7f634/openbabel-3.2.0-cp314-cp314-macosx_11_0_arm64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-05-26T22:00:41,946 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/3f/87/3cf7258f9af22f5d0985fbe63b1ce4b3635699b338e847f724c1d2127e5c/openbabel-3.2.0-cp314-cp314-manylinux2014_aarch64.manylinux_2_17_aarch64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-05-26T22:00:41,947 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/07/40/fd97ad24f77b9c7bef6ba5d127f17d30008ea30ac494aa639b8aedfc6632/openbabel-3.2.0-cp314-cp314-manylinux2014_x86_64.manylinux_2_17_x86_64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-05-26T22:00:41,947 Skipping link: No binaries permitted for openbabel: https://files.pythonhosted.org/packages/cf/16/27e8b0304948f9cbece9e0ec2c14326d6864127f411525112025d96fdc8c/openbabel-3.2.0-cp314-cp314-win_amd64.whl (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10) 2026-05-26T22:00:41,948 Found link https://files.pythonhosted.org/packages/29/67/7e1c86fa3a932bba8d8c9dcef040687f1bce1f2903a29acd4fb5337bbea8/openbabel-3.2.0.tar.gz (from https://pypi.org/simple/openbabel/) (requires-python:>=3.10), version: 3.2.0 2026-05-26T22:00:41,949 Fetching project page and analyzing links: https://www.piwheels.org/simple/openbabel/ 2026-05-26T22:00:41,950 Getting page https://www.piwheels.org/simple/openbabel/ 2026-05-26T22:00:41,951 Found index url https://www.piwheels.org/simple 2026-05-26T22:00:42,133 Fetched page https://www.piwheels.org/simple/openbabel/ as text/html 2026-05-26T22:00:42,134 Skipping link: not a file: https://www.piwheels.org/simple/openbabel/ 2026-05-26T22:00:42,135 Skipping link: not a file: https://pypi.org/simple/openbabel/ 2026-05-26T22:00:42,155 Given no hashes to check 1 links for project 'openbabel': discarding no candidates 2026-05-26T22:00:42,173 Collecting openbabel==3.2.0 2026-05-26T22:00:42,175 Created temporary directory: /tmp/pip-unpack-3j5dg046 2026-05-26T22:00:42,429 Downloading openbabel-3.2.0.tar.gz (36.5 MB) 2026-05-26T22:01:51,390 Added openbabel==3.2.0 from https://files.pythonhosted.org/packages/29/67/7e1c86fa3a932bba8d8c9dcef040687f1bce1f2903a29acd4fb5337bbea8/openbabel-3.2.0.tar.gz to build tracker '/tmp/pip-build-tracker-yr66onrh' 2026-05-26T22:01:51,399 Created temporary directory: /tmp/pip-build-env-01h0027h 2026-05-26T22:01:51,405 Installing build dependencies: started 2026-05-26T22:01:51,407 Running command pip subprocess to install build dependencies 2026-05-26T22:01:52,659 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-05-26T22:01:53,123 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 2026-05-26T22:01:53,150 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-05-26T22:01:53,695 Collecting scikit-build-core>=0.11 2026-05-26T22:01:53,697 Obtaining dependency information for scikit-build-core>=0.11 from https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-0.12.2-py3-none-any.whl.metadata 2026-05-26T22:01:53,715 Using cached https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-0.12.2-py3-none-any.whl.metadata (16 kB) 2026-05-26T22:01:53,728 Discarding https://www.piwheels.org/simple/scikit-build-core/scikit_build_core-0.12.2-py3-none-any.whl#sha256=46d8a176f3b4d26308916fc087f8ea1b9f39070d59462a7376bad7f008e71a18 (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-0.12.2-py3-none-any.whl#sha256=46d8a176f3b4d26308916fc087f8ea1b9f39070d59462a7376bad7f008e71a18 has inconsistent Name: expected 'scikit-build-core', but metadata has 'scikit_build_core' 2026-05-26T22:01:53,755 Using cached scikit_build_core-0.12.2-py3-none-any.whl (192 kB) 2026-05-26T22:01:54,136 Collecting setuptools-scm 2026-05-26T22:01:54,137 Obtaining dependency information for setuptools-scm from https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.0.5-py3-none-any.whl.metadata 2026-05-26T22:01:54,152 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.0.5-py3-none-any.whl.metadata (6.5 kB) 2026-05-26T22:01:54,445 Collecting swig 2026-05-26T22:01:54,509 Using cached swig-4.4.1-py3-none-manylinux_2_24_armv7l.manylinux_2_31_armv7l.whl (1.9 MB) 2026-05-26T22:01:54,883 Collecting cmeel-eigen 2026-05-26T22:01:54,884 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 2026-05-26T22:01:55,164 Downloading https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl.metadata (867 bytes) 2026-05-26T22:01:55,382 Collecting packaging>=23.2 2026-05-26T22:01:55,383 Obtaining dependency information for packaging>=23.2 from https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata 2026-05-26T22:01:55,398 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl.metadata (3.5 kB) 2026-05-26T22:01:55,518 Collecting pathspec>=0.12.0 2026-05-26T22:01:55,519 Obtaining dependency information for pathspec>=0.12.0 from https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl.metadata 2026-05-26T22:01:55,534 Using cached https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl.metadata (14 kB) 2026-05-26T22:01:55,621 Collecting vcs-versioning>=1.0.0.dev0 2026-05-26T22:01:55,622 Obtaining dependency information for vcs-versioning>=1.0.0.dev0 from https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-1.1.1-py3-none-any.whl.metadata 2026-05-26T22:01:55,637 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-1.1.1-py3-none-any.whl.metadata (1.6 kB) 2026-05-26T22:01:57,108 Collecting setuptools 2026-05-26T22:01:57,109 Obtaining dependency information for setuptools from https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl.metadata 2026-05-26T22:01:57,123 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl.metadata (6.5 kB) 2026-05-26T22:01:57,571 Collecting cmeel 2026-05-26T22:01:57,572 Obtaining dependency information for cmeel from https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl.metadata 2026-05-26T22:01:57,765 Using cached https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl.metadata (4.8 kB) 2026-05-26T22:01:58,061 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.0.5-py3-none-any.whl (21 kB) 2026-05-26T22:01:58,097 Downloading https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl (4.0 MB) 2026-05-26T22:01:58,382 ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.0/4.0 MB 14.5 MB/s eta 0:00:00 2026-05-26T22:01:58,448 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-05-26T22:01:58,467 Using cached https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl (57 kB) 2026-05-26T22:01:58,485 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-1.1.1-py3-none-any.whl (79 kB) 2026-05-26T22:01:58,503 Using cached https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl (20 kB) 2026-05-26T22:01:58,603 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl (1.0 MB) 2026-05-26T22:01:58,637 Using cached https://www.piwheels.org/simple/setuptools-scm/setuptools_scm-10.0.5-py3-none-any.whl (21 kB) 2026-05-26T22:01:58,951 Using cached https://archive1.piwheels.org/simple/cmeel-eigen/cmeel_eigen-3.4.1-0-py3-none-any.whl (4.0 MB) 2026-05-26T22:01:59,094 Using cached https://www.piwheels.org/simple/packaging/packaging-26.2-py3-none-any.whl (100 kB) 2026-05-26T22:01:59,121 Using cached https://www.piwheels.org/simple/pathspec/pathspec-1.1.1-py3-none-any.whl (57 kB) 2026-05-26T22:01:59,146 Using cached https://www.piwheels.org/simple/vcs-versioning/vcs_versioning-1.1.1-py3-none-any.whl (79 kB) 2026-05-26T22:01:59,169 Using cached https://archive1.piwheels.org/simple/cmeel/cmeel-0.60.1-py3-none-any.whl (20 kB) 2026-05-26T22:01:59,251 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl (1.0 MB) 2026-05-26T22:02:02,059 Installing collected packages: swig, setuptools, pathspec, packaging, cmeel, vcs-versioning, scikit-build-core, cmeel-eigen, setuptools-scm 2026-05-26T22:02:03,385 Creating /tmp/pip-build-env-01h0027h/overlay/local/bin 2026-05-26T22:02:03,387 changing mode of /tmp/pip-build-env-01h0027h/overlay/local/bin/swig to 755 2026-05-26T22:02:03,389 changing mode of /tmp/pip-build-env-01h0027h/overlay/local/bin/swig4.0 to 755 2026-05-26T22:02:07,092 changing mode of /tmp/pip-build-env-01h0027h/overlay/local/bin/cmeel to 755 2026-05-26T22:02:07,390 changing mode of /tmp/pip-build-env-01h0027h/overlay/local/bin/vcs-versioning to 755 2026-05-26T22:02:09,473 changing mode of /tmp/pip-build-env-01h0027h/overlay/local/bin/setuptools-scm to 755 2026-05-26T22:02:09,557 Successfully installed cmeel-0.60.1 cmeel-eigen-3.4.1 packaging-26.2 pathspec-1.1.1 scikit-build-core-0.12.2 setuptools-82.0.1 setuptools-scm-10.0.5 swig-4.4.1 vcs-versioning-1.1.1 2026-05-26T22:02:09,904 Installing build dependencies: finished with status 'done' 2026-05-26T22:02:09,911 Getting requirements to build wheel: started 2026-05-26T22:02:09,912 Running command Getting requirements to build wheel 2026-05-26T22:02:10,532 Getting requirements to build wheel: finished with status 'done' 2026-05-26T22:02:10,545 Created temporary directory: /tmp/pip-modern-metadata-3bue218q 2026-05-26T22:02:10,547 Preparing metadata (pyproject.toml): started 2026-05-26T22:02:10,549 Running command Preparing metadata (pyproject.toml) 2026-05-26T22:02:11,378 *** scikit-build-core 0.12.2 using CMake 3.25.1 (metadata_wheel) 2026-05-26T22:02:11,494 Preparing metadata (pyproject.toml): finished with status 'done' 2026-05-26T22:02:11,499 Source in /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6 has version 3.2.0, which satisfies requirement openbabel==3.2.0 from https://files.pythonhosted.org/packages/29/67/7e1c86fa3a932bba8d8c9dcef040687f1bce1f2903a29acd4fb5337bbea8/openbabel-3.2.0.tar.gz 2026-05-26T22:02:11,500 Removed openbabel==3.2.0 from https://files.pythonhosted.org/packages/29/67/7e1c86fa3a932bba8d8c9dcef040687f1bce1f2903a29acd4fb5337bbea8/openbabel-3.2.0.tar.gz from build tracker '/tmp/pip-build-tracker-yr66onrh' 2026-05-26T22:02:11,506 Created temporary directory: /tmp/pip-unpack-qe7kxutv 2026-05-26T22:02:11,506 Building wheels for collected packages: openbabel 2026-05-26T22:02:11,512 Created temporary directory: /tmp/pip-wheel-dgfmmfz5 2026-05-26T22:02:11,512 Destination directory: /tmp/pip-wheel-dgfmmfz5 2026-05-26T22:02:11,514 Building wheel for openbabel (pyproject.toml): started 2026-05-26T22:02:11,516 Running command Building wheel for openbabel (pyproject.toml) 2026-05-26T22:02:12,277 *** scikit-build-core 0.12.2 using CMake 3.25.1 (wheel) 2026-05-26T22:02:12,304 *** Configuring CMake... 2026-05-26T22:02:12,408 loading initial cache file /tmp/tmphp45v0ub/build/CMakeInit.txt 2026-05-26T22:02:12,716 -- The C compiler identification is GNU 12.2.0 2026-05-26T22:02:13,028 -- The CXX compiler identification is GNU 12.2.0 2026-05-26T22:02:13,093 -- Detecting C compiler ABI info 2026-05-26T22:02:13,399 -- Detecting C compiler ABI info - done 2026-05-26T22:02:13,437 -- Check for working C compiler: /usr/bin/arm-linux-gnueabihf-gcc - skipped 2026-05-26T22:02:13,439 -- Detecting C compile features 2026-05-26T22:02:13,442 -- Detecting C compile features - done 2026-05-26T22:02:13,466 -- Detecting CXX compiler ABI info 2026-05-26T22:02:13,793 -- Detecting CXX compiler ABI info - done 2026-05-26T22:02:13,832 -- Check for working CXX compiler: /usr/bin/arm-linux-gnueabihf-g++ - skipped 2026-05-26T22:02:13,834 -- Detecting CXX compile features 2026-05-26T22:02:13,837 -- Detecting CXX compile features - done 2026-05-26T22:02:13,852 -- Using included inchi library. 2026-05-26T22:02:14,133 -- Found LibXml2: /usr/lib/arm-linux-gnueabihf/libxml2.so (found version "2.9.14") 2026-05-26T22:02:14,220 -- Found ZLIB: /usr/lib/arm-linux-gnueabihf/libz.so (found version "1.2.13") 2026-05-26T22:02:14,289 -- Could NOT find wxWidgets (missing: wxWidgets_LIBRARIES wxWidgets_INCLUDE_DIRS) 2026-05-26T22:02:14,307 -- Looking for conio.h 2026-05-26T22:02:14,451 -- Looking for conio.h - not found 2026-05-26T22:02:14,453 -- Looking for sys/time.h 2026-05-26T22:02:14,731 -- Looking for sys/time.h - found 2026-05-26T22:02:14,733 -- Looking for time.h 2026-05-26T22:02:15,043 -- Looking for time.h - found 2026-05-26T22:02:15,044 -- Looking for strings.h 2026-05-26T22:02:15,319 -- Looking for strings.h - found 2026-05-26T22:02:15,320 -- Looking for regex.h 2026-05-26T22:02:15,609 -- Looking for regex.h - found 2026-05-26T22:02:15,611 -- Looking for C++ include sstream 2026-05-26T22:02:16,876 -- Looking for C++ include sstream - found 2026-05-26T22:02:16,878 -- Looking for rint 2026-05-26T22:02:17,181 -- Looking for rint - not found 2026-05-26T22:02:17,183 -- Looking for snprintf 2026-05-26T22:02:17,465 -- Looking for snprintf - found 2026-05-26T22:02:17,466 -- Looking for sranddev 2026-05-26T22:02:17,645 -- Looking for sranddev - not found 2026-05-26T22:02:17,646 -- Looking for strcasecmp 2026-05-26T22:02:17,926 -- Looking for strcasecmp - found 2026-05-26T22:02:17,928 -- Looking for strncasecmp 2026-05-26T22:02:18,272 -- Looking for strncasecmp - found 2026-05-26T22:02:18,273 -- Looking for xdrstdio_create 2026-05-26T22:02:18,414 -- Looking for xdrstdio_create - not found 2026-05-26T22:02:18,416 -- Looking for dlopen in dl 2026-05-26T22:02:18,687 -- Looking for dlopen in dl - found 2026-05-26T22:02:18,689 -- Looking for sys/types.h 2026-05-26T22:02:19,001 -- Looking for sys/types.h - found 2026-05-26T22:02:19,002 -- Looking for stdint.h 2026-05-26T22:02:19,272 -- Looking for stdint.h - found 2026-05-26T22:02:19,273 -- Looking for stddef.h 2026-05-26T22:02:19,531 -- Looking for stddef.h - found 2026-05-26T22:02:19,532 -- Check size of clock_t 2026-05-26T22:02:19,868 -- Check size of clock_t - done 2026-05-26T22:02:19,870 -- Performing Test SCANDIR_NEEDS_CONST 2026-05-26T22:02:20,053 -- Performing Test SCANDIR_NEEDS_CONST - Failed 2026-05-26T22:02:20,058 -- Performing Test HAVE_GCC_VISIBILITY 2026-05-26T22:02:20,405 -- Performing Test HAVE_GCC_VISIBILITY - Success 2026-05-26T22:02:20,413 Using built-in specs. 2026-05-26T22:02:20,414 COLLECT_GCC=/usr/bin/arm-linux-gnueabihf-gcc 2026-05-26T22:02:20,415 COLLECT_LTO_WRAPPER=/usr/lib/gcc/arm-linux-gnueabihf/12/lto-wrapper 2026-05-26T22:02:20,415 Target: arm-linux-gnueabihf 2026-05-26T22:02:20,416 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 2026-05-26T22:02:20,416 Thread model: posix 2026-05-26T22:02:20,417 Supported LTO compression algorithms: zlib zstd 2026-05-26T22:02:20,417 gcc version 12.2.0 (Raspbian 12.2.0-14+rpi1+deb12u1) 2026-05-26T22:02:20,541 -- 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")) 2026-05-26T22:02:22,088 -- Found Python: /usr/bin/python3 (found version "3.11.2") found components: Interpreter 2026-05-26T22:02:22,535 -- 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")) 2026-05-26T22:02:22,537 -- Maestro formats will NOT be supported. Please install Boost to enable Maestro formats. 2026-05-26T22:02:22,538 -- Coordinate generation with Coordgen will NOT be supported. Please install Boost to enable Maestro formats. 2026-05-26T22:02:22,554 -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") 2026-05-26T22:02:22,898 -- Could NOT find RapidJSON (missing: RAPIDJSON_INCLUDE_DIRS) (Required is at least version "1.1.0") 2026-05-26T22:02:23,850 -- Downloaded RapidJSON to /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/external/rapidjson-7c73dd7de7c4f14379b781418c6e947ad464c818. 2026-05-26T22:02:23,851 -- JSON formats will be supported. Using RapidJSON 7c73dd7de7c4f14379b781418c6e947ad464c818 at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/external/rapidjson-7c73dd7de7c4f14379b781418c6e947ad464c818/include 2026-05-26T22:02:23,852 -- Skipping Cairo for wheel builds. Set BUILD_WHEEL_CAIRO=ON to enable PNG output support. 2026-05-26T22:02:23,852 -- Could NOT find Cairo. PNG output will NOT be supported. 2026-05-26T22:02:23,961 -- Found Perl: /usr/bin/perl (found version "5.36.0") 2026-05-26T22:02:24,029 -- 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")) 2026-05-26T22:02:24,042 -- Performing Test CMAKE_HAVE_LIBC_PTHREAD 2026-05-26T22:02:24,413 -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success 2026-05-26T22:02:24,419 -- Found Threads: TRUE 2026-05-26T22:02:24,564 -- 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")) 2026-05-26T22:02:24,569 -- Looking for getopt 2026-05-26T22:02:24,862 -- Looking for getopt - found 2026-05-26T22:02:24,871 -- GUI will not be built 2026-05-26T22:02:25,214 -- Found SWIG: /tmp/pip-build-env-01h0027h/overlay/local/bin/swig4.0 (found version "4.4.1") 2026-05-26T22:02:25,220 -- Found SWIG: /tmp/pip-build-env-01h0027h/overlay/local/bin/swig4.0 (found suitable version "4.4.1", minimum required is "2.0") 2026-05-26T22:02:25,366 -- Found Python: /usr/bin/python3 (found version "3.11.2") found components: Interpreter Development.Module 2026-05-26T22:02:25,367 -- Python bindings will be compiled 2026-05-26T22:02:25,400 -- Configuring done 2026-05-26T22:02:26,961 -- Generating done 2026-05-26T22:02:27,613 -- Build files have been written to: /tmp/tmphp45v0ub/build 2026-05-26T22:02:27,940 *** Building project with Ninja... 2026-05-26T22:02:28,192 [1/480] Generating ringtyp.h 2026-05-26T22:02:28,208 [2/480] Generating bondtyp.h 2026-05-26T22:02:28,230 [3/480] Generating phmodeldata.h 2026-05-26T22:02:28,262 [4/480] Generating atomtyp.h 2026-05-26T22:02:28,392 [5/480] Generating resdata.h 2026-05-26T22:02:28,401 [6/480] Generating torlib.h 2026-05-26T22:02:28,446 [7/480] Generating types.h 2026-05-26T22:02:29,918 [8/480] Generating spacegroups.h 2026-05-26T22:02:29,951 [9/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichi_io.c.o 2026-05-26T22:02:30,510 [10/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichierr.c.o 2026-05-26T22:02:30,972 [11/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiisot.c.o 2026-05-26T22:02:32,385 [12/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicano.c.o 2026-05-26T22:02:34,815 [13/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimak2.c.o 2026-05-26T22:02:35,966 [14/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicans.c.o 2026-05-26T22:02:37,752 [15/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap1.c.o 2026-05-26T22:02:38,112 [16/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichican2.c.o 2026-05-26T22:02:40,105 [17/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimake.c.o 2026-05-26T22:02:40,155 [18/480] Generating atomizationenergies.h 2026-05-26T22:02:40,942 [19/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap2.c.o 2026-05-26T22:02:42,696 [20/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiparm.c.o 2026-05-26T22:02:42,884 [21/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap4.c.o 2026-05-26T22:02:45,063 [22/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichi_bns.c.o 2026-05-26T22:02:47,597 [23/480] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o 2026-05-26T22:02:52,698 [24/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichinorm.c.o 2026-05-26T22:02:52,988 [25/480] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.cpp.o 2026-05-26T22:02:54,487 [26/480] Building CXX object src/CMakeFiles/openbabel.dir/bond.cpp.o 2026-05-26T22:02:54,488 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:02:54,488 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:02:54,489 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bond.cpp:24: 2026-05-26T22:02:54,490 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:02:54,491 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,492 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:54,494 | ^ 2026-05-26T22:02:54,495 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,496 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,497 | ^~~~~~~~~ 2026-05-26T22:02:54,498 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,499 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:54,500 | ^ 2026-05-26T22:02:54,501 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,502 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,503 | ^~~~~~~~~ 2026-05-26T22:02:54,504 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,505 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:54,506 | ^ 2026-05-26T22:02:54,506 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,507 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,508 | ^~~~~~~~~ 2026-05-26T22:02:54,509 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,510 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:54,511 | ^ 2026-05-26T22:02:54,512 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,513 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,514 | ^~~~~~~~~ 2026-05-26T22:02:54,515 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:02:54,517 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,518 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:54,519 | ^ 2026-05-26T22:02:54,520 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,521 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,522 | ^~~~~~~~~ 2026-05-26T22:02:54,523 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,524 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:54,525 | ^ 2026-05-26T22:02:54,526 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,527 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,528 | ^~~~~~~~~ 2026-05-26T22:02:54,529 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,530 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:54,531 | ^ 2026-05-26T22:02:54,532 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,533 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,534 | ^~~~~~~~~ 2026-05-26T22:02:54,535 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:54,547 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:54,548 | ^ 2026-05-26T22:02:54,549 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:54,550 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:54,551 | ^~~~~~~~~ 2026-05-26T22:02:54,552 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:02:54,553 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:02:54,554 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bond.cpp:25: 2026-05-26T22:02:54,555 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:02:54,556 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:02:54,557 281 | return ! ( (*this) == other ); 2026-05-26T22:02:54,558 | ^~~~~ 2026-05-26T22:02:54,559 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:02:54,560 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:02:54,561 | ^~~~~~~~ 2026-05-26T22:02:54,562 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bond.cpp: In constructor ‘OpenBabel::OBBond::OBBond()’: 2026-05-26T22:02:54,563 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bond.cpp:63:18: warning: ‘OpenBabel::OBBond::Visit’ is deprecated: Use OBBitVec objects instead to be fully thread-safe. [-Wdeprecated-declarations] 2026-05-26T22:02:54,564 63 | OBBond::OBBond() /*: d(new OBBondPrivate)*/ 2026-05-26T22:02:54,565 | ^ 2026-05-26T22:02:54,566 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:98:12: note: declared here 2026-05-26T22:02:54,567 98 | bool Visit; 2026-05-26T22:02:54,569 | ^~~~~ 2026-05-26T22:02:54,569 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bond.cpp:63:18: warning: ‘OpenBabel::OBBond::Visit’ is deprecated: Use OBBitVec objects instead to be fully thread-safe. [-Wdeprecated-declarations] 2026-05-26T22:02:54,570 63 | OBBond::OBBond() /*: d(new OBBondPrivate)*/ 2026-05-26T22:02:54,571 | ^ 2026-05-26T22:02:54,572 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:98:12: note: declared here 2026-05-26T22:02:54,573 98 | bool Visit; 2026-05-26T22:02:54,574 | ^~~~~ 2026-05-26T22:02:55,575 [27/480] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.cpp.o 2026-05-26T22:02:55,576 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:02:55,577 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bondtyper.cpp:21: 2026-05-26T22:02:55,578 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:02:55,579 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:02:55,580 281 | return ! ( (*this) == other ); 2026-05-26T22:02:55,581 | ^~~~~ 2026-05-26T22:02:55,582 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:02:55,583 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:02:55,584 | ^~~~~~~~ 2026-05-26T22:02:55,585 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bondtyper.h:22, 2026-05-26T22:02:55,587 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/bondtyper.cpp:24: 2026-05-26T22:02:55,588 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:02:55,589 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,590 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:55,591 | ^ 2026-05-26T22:02:55,592 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,597 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,598 | ^~~~~~~~~ 2026-05-26T22:02:55,600 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,601 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:55,603 | ^ 2026-05-26T22:02:55,604 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,605 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,606 | ^~~~~~~~~ 2026-05-26T22:02:55,607 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,609 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:55,610 | ^ 2026-05-26T22:02:55,611 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,613 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,614 | ^~~~~~~~~ 2026-05-26T22:02:55,615 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,619 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:55,627 | ^ 2026-05-26T22:02:55,635 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,636 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,637 | ^~~~~~~~~ 2026-05-26T22:02:55,638 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:02:55,639 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,640 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:55,641 | ^ 2026-05-26T22:02:55,642 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,643 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,644 | ^~~~~~~~~ 2026-05-26T22:02:55,645 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,646 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:55,646 | ^ 2026-05-26T22:02:55,647 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,648 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,657 | ^~~~~~~~~ 2026-05-26T22:02:55,663 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,664 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:55,665 | ^ 2026-05-26T22:02:55,666 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,667 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,667 | ^~~~~~~~~ 2026-05-26T22:02:55,668 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:55,669 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:55,670 | ^ 2026-05-26T22:02:55,671 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:55,671 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:55,672 | ^~~~~~~~~ 2026-05-26T22:02:56,665 [28/480] Building CXX object src/CMakeFiles/openbabel.dir/atom.cpp.o 2026-05-26T22:02:56,666 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:02:56,667 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/atom.cpp:22: 2026-05-26T22:02:56,668 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:02:56,669 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:02:56,670 281 | return ! ( (*this) == other ); 2026-05-26T22:02:56,671 | ^~~~~ 2026-05-26T22:02:56,672 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:02:56,673 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:02:56,674 | ^~~~~~~~ 2026-05-26T22:02:56,675 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:02:56,677 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:02:56,678 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/atom.cpp:28: 2026-05-26T22:02:56,679 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:02:56,680 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,681 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:56,682 | ^ 2026-05-26T22:02:56,683 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,684 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,685 | ^~~~~~~~~ 2026-05-26T22:02:56,687 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,688 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:56,689 | ^ 2026-05-26T22:02:56,690 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,691 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,692 | ^~~~~~~~~ 2026-05-26T22:02:56,693 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,694 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:56,695 | ^ 2026-05-26T22:02:56,696 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,697 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,698 | ^~~~~~~~~ 2026-05-26T22:02:56,699 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,700 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:02:56,700 | ^ 2026-05-26T22:02:56,701 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,702 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,703 | ^~~~~~~~~ 2026-05-26T22:02:56,704 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:02:56,705 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,706 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:56,708 | ^ 2026-05-26T22:02:56,709 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,710 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,711 | ^~~~~~~~~ 2026-05-26T22:02:56,712 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,713 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:56,714 | ^ 2026-05-26T22:02:56,715 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,717 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,718 | ^~~~~~~~~ 2026-05-26T22:02:56,719 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,720 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:56,727 | ^ 2026-05-26T22:02:56,728 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,729 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,730 | ^~~~~~~~~ 2026-05-26T22:02:56,731 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:02:56,732 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:02:56,732 | ^ 2026-05-26T22:02:56,733 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:02:56,734 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:02:56,735 | ^~~~~~~~~ 2026-05-26T22:03:00,500 [29/480] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o 2026-05-26T22:03:00,501 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:03:00,502 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:03:00,503 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:03:00,504 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:03:00,505 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/alias.h:20, 2026-05-26T22:03:00,506 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/alias.cpp:19: 2026-05-26T22:03:00,508 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:00,509 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:00,509 281 | return ! ( (*this) == other ); 2026-05-26T22:03:00,510 | ^~~~~ 2026-05-26T22:03:00,511 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:00,512 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:00,513 | ^~~~~~~~ 2026-05-26T22:03:00,514 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/alias.cpp:27: 2026-05-26T22:03:00,515 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:03:00,516 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,518 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:00,519 | ^ 2026-05-26T22:03:00,520 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,521 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,521 | ^~~~~~~~~ 2026-05-26T22:03:00,522 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,523 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:00,524 | ^ 2026-05-26T22:03:00,525 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,526 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,527 | ^~~~~~~~~ 2026-05-26T22:03:00,527 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,528 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:00,537 | ^ 2026-05-26T22:03:00,557 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,558 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,558 | ^~~~~~~~~ 2026-05-26T22:03:00,559 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,561 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:00,562 | ^ 2026-05-26T22:03:00,562 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,563 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,564 | ^~~~~~~~~ 2026-05-26T22:03:00,565 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:03:00,566 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,567 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:00,568 | ^ 2026-05-26T22:03:00,569 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,570 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,571 | ^~~~~~~~~ 2026-05-26T22:03:00,572 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,572 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:00,573 | ^ 2026-05-26T22:03:00,574 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,575 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,576 | ^~~~~~~~~ 2026-05-26T22:03:00,577 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,578 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:00,578 | ^ 2026-05-26T22:03:00,579 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,580 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,581 | ^~~~~~~~~ 2026-05-26T22:03:00,582 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:00,583 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:00,584 | ^ 2026-05-26T22:03:00,585 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:00,585 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:00,586 | ^~~~~~~~~ 2026-05-26T22:03:01,614 [30/480] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o 2026-05-26T22:03:01,615 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:03:01,616 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/chargemodel.cpp:21: 2026-05-26T22:03:01,617 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:01,617 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:01,618 281 | return ! ( (*this) == other ); 2026-05-26T22:03:01,619 | ^~~~~ 2026-05-26T22:03:01,620 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:01,621 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:01,622 | ^~~~~~~~ 2026-05-26T22:03:01,622 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:03:01,623 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:03:01,624 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:03:01,625 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:24: 2026-05-26T22:03:01,626 /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]’: 2026-05-26T22:03:01,626 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:01,627 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:01,628 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:01,629 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:01,630 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, 2026-05-26T22:03:01,631 inlined from ‘void OpenBabel::OBChargeModel::FillChargeVectors(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/chargemodel.cpp:45:35: 2026-05-26T22:03:01,631 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:03:01,632 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:03:01,633 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:01,634 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:01,635 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, 2026-05-26T22:03:01,636 inlined from ‘void OpenBabel::OBChargeModel::FillChargeVectors(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/chargemodel.cpp:46:34: 2026-05-26T22:03:01,637 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:03:01,637 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:03:01,638 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:07,581 [31/480] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o 2026-05-26T22:03:07,582 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:03:07,583 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:03:07,584 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:03:07,585 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:03:07,586 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:30: 2026-05-26T22:03:07,587 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:07,588 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:07,589 281 | return ! ( (*this) == other ); 2026-05-26T22:03:07,590 | ^~~~~ 2026-05-26T22:03:07,591 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:07,592 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:07,593 | ^~~~~~~~ 2026-05-26T22:03:07,594 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:03:07,594 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/data_utilities.h:25, 2026-05-26T22:03:07,595 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:28: 2026-05-26T22:03:07,596 /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]’: 2026-05-26T22:03:07,597 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:07,598 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:07,599 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:07,600 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:03:07,601 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:07,602 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:188:26: 2026-05-26T22:03:07,603 /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 2026-05-26T22:03:07,604 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:07,604 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:07,605 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:07,606 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:189:26: 2026-05-26T22:03:07,607 /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 2026-05-26T22:03:07,608 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:07,609 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:07,610 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:07,611 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:190:26: 2026-05-26T22:03:07,612 /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 2026-05-26T22:03:07,613 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:07,614 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:07,615 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:07,616 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:191:26: 2026-05-26T22:03:07,617 /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 2026-05-26T22:03:07,617 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:07,618 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:07,619 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:07,620 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data_utilities.cpp:192:26: 2026-05-26T22:03:07,621 /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 2026-05-26T22:03:07,622 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:07,623 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:15,029 [32/480] Building CXX object src/CMakeFiles/openbabel.dir/macrocycle.cpp.o 2026-05-26T22:03:15,030 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/macrocycle.cpp:20: 2026-05-26T22:03:15,031 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:15,032 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:15,033 281 | return ! ( (*this) == other ); 2026-05-26T22:03:15,034 | ^~~~~ 2026-05-26T22:03:15,035 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:15,036 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:15,037 | ^~~~~~~~ 2026-05-26T22:03:15,854 [33/480] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o 2026-05-26T22:03:15,855 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:15,856 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/chains.cpp:34: 2026-05-26T22:03:15,857 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:15,858 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:15,859 281 | return ! ( (*this) == other ); 2026-05-26T22:03:15,861 | ^~~~~ 2026-05-26T22:03:15,861 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:15,862 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:15,863 | ^~~~~~~~ 2026-05-26T22:03:20,275 [34/480] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o 2026-05-26T22:03:20,277 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:03:20,278 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:03:20,279 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:03:20,281 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:03:20,282 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/descriptor.cpp:21: 2026-05-26T22:03:20,283 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:20,285 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:20,286 281 | return ! ( (*this) == other ); 2026-05-26T22:03:20,287 | ^~~~~ 2026-05-26T22:03:20,288 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:20,290 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:20,291 | ^~~~~~~~ 2026-05-26T22:03:24,096 [35/480] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o 2026-05-26T22:03:24,097 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:24,098 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data.cpp:28: 2026-05-26T22:03:24,099 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:24,100 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:24,101 281 | return ! ( (*this) == other ); 2026-05-26T22:03:24,102 | ^~~~~ 2026-05-26T22:03:24,103 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:24,104 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:24,105 | ^~~~~~~~ 2026-05-26T22:03:24,107 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:03:24,108 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/data.h:28, 2026-05-26T22:03:24,109 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data.cpp:25: 2026-05-26T22:03:24,110 /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]’: 2026-05-26T22:03:24,111 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:24,112 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:24,113 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:24,114 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:03:24,115 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBAtomHOF; _Alloc = std::allocator]’, 2026-05-26T22:03:24,116 inlined from ‘virtual void OpenBabel::OBAtomicHeatOfFormationTable::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/data.cpp:121:31: 2026-05-26T22:03:24,117 /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 2026-05-26T22:03:24,118 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:24,119 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:28,493 [36/480] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o 2026-05-26T22:03:30,293 [37/480] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o 2026-05-26T22:03:31,915 [38/480] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o 2026-05-26T22:03:32,388 [39/480] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o 2026-05-26T22:03:32,389 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:32,390 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/canon.cpp:25: 2026-05-26T22:03:32,391 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:32,392 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:32,393 281 | return ! ( (*this) == other ); 2026-05-26T22:03:32,394 | ^~~~~ 2026-05-26T22:03:32,395 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:32,396 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:32,397 | ^~~~~~~~ 2026-05-26T22:03:38,947 [40/480] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o 2026-05-26T22:03:38,948 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:38,949 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/builder.cpp:29: 2026-05-26T22:03:38,950 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:38,951 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:38,952 281 | return ! ( (*this) == other ); 2026-05-26T22:03:38,954 | ^~~~~ 2026-05-26T22:03:38,955 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:38,956 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:38,957 | ^~~~~~~~ 2026-05-26T22:03:38,958 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:03:38,959 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:03:38,960 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/builder.cpp:33: 2026-05-26T22:03:38,961 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:03:38,962 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:38,963 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:38,964 | ^ 2026-05-26T22:03:38,965 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:38,965 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:38,966 | ^~~~~~~~~ 2026-05-26T22:03:38,969 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:38,970 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:38,988 | ^ 2026-05-26T22:03:38,989 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:38,991 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:38,993 | ^~~~~~~~~ 2026-05-26T22:03:38,995 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:38,997 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:38,998 | ^ 2026-05-26T22:03:39,007 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:39,008 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:39,009 | ^~~~~~~~~ 2026-05-26T22:03:39,010 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,011 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:39,011 | ^ 2026-05-26T22:03:39,012 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:39,013 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:39,014 | ^~~~~~~~~ 2026-05-26T22:03:39,015 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:03:39,017 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,018 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:39,019 | ^ 2026-05-26T22:03:39,019 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:39,020 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:39,021 | ^~~~~~~~~ 2026-05-26T22:03:39,022 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,023 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:39,024 | ^ 2026-05-26T22:03:39,025 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:39,026 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:39,027 | ^~~~~~~~~ 2026-05-26T22:03:39,027 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,028 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:39,030 | ^ 2026-05-26T22:03:39,038 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:39,038 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:39,040 | ^~~~~~~~~ 2026-05-26T22:03:39,041 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,042 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:39,043 | ^ 2026-05-26T22:03:39,044 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:39,045 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:39,046 | ^~~~~~~~~ 2026-05-26T22:03:39,046 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:03:39,047 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/builder.h:23, 2026-05-26T22:03:39,048 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/builder.cpp:22: 2026-05-26T22:03:39,049 /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]’: 2026-05-26T22:03:39,051 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:39,052 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:39,053 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:39,053 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:03:39,054 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:03:39,055 inlined from ‘void OpenBabel::OBBuilder::LoadFragments()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/builder.cpp:150:25: 2026-05-26T22:03:39,056 /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 2026-05-26T22:03:39,057 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:39,058 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:39,058 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:03:39,059 inlined from ‘std::vector OpenBabel::OBBuilder::GetFragmentCoord(std::string)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/builder.cpp:198:25: 2026-05-26T22:03:39,060 /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 2026-05-26T22:03:39,061 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:39,062 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:39,063 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:03:39,064 inlined from ‘static void OpenBabel::OBBuilder::ConnectFrags(OpenBabel::OBMol&, OpenBabel::OBMol&, std::vector, std::vector, std::vector)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/builder.cpp:1642:26: 2026-05-26T22:03:39,077 /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 2026-05-26T22:03:39,077 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:39,079 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:39,673 [41/480] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o 2026-05-26T22:03:39,674 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:39,675 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp:23: 2026-05-26T22:03:39,676 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:39,677 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:39,678 281 | return ! ( (*this) == other ); 2026-05-26T22:03:39,679 | ^~~~~ 2026-05-26T22:03:39,680 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:39,681 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:39,683 | ^~~~~~~~ 2026-05-26T22:03:39,684 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp:24: 2026-05-26T22:03:39,685 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: 2026-05-26T22:03:39,686 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,686 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-05-26T22:03:39,687 | ^~~~~~~~~~~~~~ 2026-05-26T22:03:39,688 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,689 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,690 | ^~~~~ 2026-05-26T22:03:39,692 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,693 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-05-26T22:03:39,694 | ^~~~~~~~~~~~~~ 2026-05-26T22:03:39,695 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,696 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,696 | ^~~~~ 2026-05-26T22:03:39,697 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: 2026-05-26T22:03:39,699 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,700 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,701 | ^~~~~ 2026-05-26T22:03:39,702 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,703 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,704 | ^~~~~ 2026-05-26T22:03:39,705 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,707 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,707 | ^~~~~ 2026-05-26T22:03:39,709 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,710 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,711 | ^~~~~ 2026-05-26T22:03:39,712 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,727 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,727 | ^~~~~ 2026-05-26T22:03:39,728 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,729 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,730 | ^~~~~ 2026-05-26T22:03:39,731 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,732 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,733 | ^~~~~ 2026-05-26T22:03:39,734 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,735 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,736 | ^~~~~ 2026-05-26T22:03:39,736 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp: In member function ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’: 2026-05-26T22:03:39,737 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp:82:5: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,738 82 | _ival=nullptr; 2026-05-26T22:03:39,739 | ^~~~~ 2026-05-26T22:03:39,740 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,741 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,742 | ^~~~~ 2026-05-26T22:03:39,743 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp:82:5: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,744 82 | _ival=nullptr; 2026-05-26T22:03:39,744 | ^~~~~ 2026-05-26T22:03:39,745 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,746 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,747 | ^~~~~ 2026-05-26T22:03:39,748 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:03:39,749 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:03:39,750 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp:22: 2026-05-26T22:03:39,751 /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]’: 2026-05-26T22:03:39,752 /usr/include/c++/12/bits/vector.tcc:523:5: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:39,753 523 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:39,754 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:39,755 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:03:39,756 In member function ‘void std::vector<_Tp, _Alloc>::resize(size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:03:39,757 inlined from ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/grid.cpp:86:19: 2026-05-26T22:03:39,767 /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 2026-05-26T22:03:39,768 1032 | _M_fill_insert(end(), __new_size - size(), __x); 2026-05-26T22:03:39,769 | ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:39,936 [42/480] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o 2026-05-26T22:03:39,937 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/griddata.h:26, 2026-05-26T22:03:39,938 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/griddata.cpp:25: 2026-05-26T22:03:39,939 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:39,940 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:39,941 281 | return ! ( (*this) == other ); 2026-05-26T22:03:39,942 | ^~~~~ 2026-05-26T22:03:39,942 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:39,943 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:39,944 | ^~~~~~~~ 2026-05-26T22:03:39,945 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/griddata.cpp:27: 2026-05-26T22:03:39,946 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: 2026-05-26T22:03:39,946 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,947 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-05-26T22:03:39,948 | ^~~~~~~~~~~~~~ 2026-05-26T22:03:39,949 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,950 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,951 | ^~~~~ 2026-05-26T22:03:39,952 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,953 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-05-26T22:03:39,954 | ^~~~~~~~~~~~~~ 2026-05-26T22:03:39,955 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,956 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,957 | ^~~~~ 2026-05-26T22:03:39,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: 2026-05-26T22:03:39,959 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,960 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,961 | ^~~~~ 2026-05-26T22:03:39,962 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,963 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,964 | ^~~~~ 2026-05-26T22:03:39,965 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,965 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,966 | ^~~~~ 2026-05-26T22:03:39,967 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,969 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,970 | ^~~~~ 2026-05-26T22:03:39,971 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,972 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,973 | ^~~~~ 2026-05-26T22:03:39,973 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,974 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,975 | ^~~~~ 2026-05-26T22:03:39,976 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:39,987 118 | if (_ival) delete [] _ival; 2026-05-26T22:03:39,988 | ^~~~~ 2026-05-26T22:03:39,988 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:03:39,989 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:03:39,990 | ^~~~~ 2026-05-26T22:03:39,991 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/griddata.cpp: In member function ‘void OpenBabel::OBGridData::GetOriginVector(double*) const’: 2026-05-26T22:03:39,992 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/griddata.cpp:194:24: warning: ‘void OpenBabel::OBFloatGrid::GetMin(double*)’ is deprecated: Use GetMin() instead [-Wdeprecated-declarations] 2026-05-26T22:03:39,993 194 | d->floatGrid.GetMin(o); 2026-05-26T22:03:39,994 | ~~~~~~~~~~~~~~~~~~~^~~ 2026-05-26T22:03:39,995 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:132:10: note: declared here 2026-05-26T22:03:39,996 132 | void GetMin(double *a) 2026-05-26T22:03:39,997 | ^~~~~~ 2026-05-26T22:03:39,998 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/griddata.cpp: In member function ‘void OpenBabel::OBGridData::SetLimits(const double*, const double*, const double*, const double*)’: 2026-05-26T22:03:39,999 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/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] 2026-05-26T22:03:40,000 235 | d->floatGrid.SetLimits(origin, x, y, z); 2026-05-26T22:03:40,000 | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:03:40,001 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:229:10: note: declared here 2026-05-26T22:03:40,002 229 | void SetLimits(const double origin[3], const double x[3], const double y[3], 2026-05-26T22:03:40,003 | ^~~~~~~~~ 2026-05-26T22:03:43,360 [43/480] Building CXX object src/CMakeFiles/openbabel.dir/locale.cpp.o 2026-05-26T22:03:45,414 [44/480] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o 2026-05-26T22:03:45,415 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:45,416 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/graphsym.cpp:28: 2026-05-26T22:03:45,417 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:45,418 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:45,420 281 | return ! ( (*this) == other ); 2026-05-26T22:03:45,421 | ^~~~~ 2026-05-26T22:03:45,422 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:45,423 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:45,423 | ^~~~~~~~ 2026-05-26T22:03:45,424 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:03:45,425 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:03:45,426 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/graphsym.cpp:30: 2026-05-26T22:03:45,427 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:03:45,428 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,429 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:45,430 | ^ 2026-05-26T22:03:45,431 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,432 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,433 | ^~~~~~~~~ 2026-05-26T22:03:45,434 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,435 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:45,437 | ^ 2026-05-26T22:03:45,438 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,439 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,440 | ^~~~~~~~~ 2026-05-26T22:03:45,441 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,442 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:45,444 | ^ 2026-05-26T22:03:45,445 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,446 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,447 | ^~~~~~~~~ 2026-05-26T22:03:45,448 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,449 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:45,450 | ^ 2026-05-26T22:03:45,457 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,458 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,459 | ^~~~~~~~~ 2026-05-26T22:03:45,460 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:03:45,461 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,462 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:45,463 | ^ 2026-05-26T22:03:45,464 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,465 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,466 | ^~~~~~~~~ 2026-05-26T22:03:45,467 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,468 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:45,469 | ^ 2026-05-26T22:03:45,470 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,471 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,472 | ^~~~~~~~~ 2026-05-26T22:03:45,473 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,474 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:45,477 | ^ 2026-05-26T22:03:45,497 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,498 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,499 | ^~~~~~~~~ 2026-05-26T22:03:45,500 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:45,501 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:45,502 | ^ 2026-05-26T22:03:45,503 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:45,504 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:45,505 | ^~~~~~~~~ 2026-05-26T22:03:47,852 [45/480] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o 2026-05-26T22:03:47,853 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:47,854 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/kekulize.cpp:22: 2026-05-26T22:03:47,856 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:47,857 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:47,858 281 | return ! ( (*this) == other ); 2026-05-26T22:03:47,859 | ^~~~~ 2026-05-26T22:03:47,860 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:47,887 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:47,888 | ^~~~~~~~ 2026-05-26T22:03:48,123 [46/480] Building CXX object src/CMakeFiles/openbabel.dir/matrix.cpp.o 2026-05-26T22:03:51,297 [47/480] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o 2026-05-26T22:03:51,298 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:51,299 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:26: 2026-05-26T22:03:51,300 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:51,301 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:51,302 281 | return ! ( (*this) == other ); 2026-05-26T22:03:51,302 | ^~~~~ 2026-05-26T22:03:51,303 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:51,304 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:51,305 | ^~~~~~~~ 2026-05-26T22:03:51,306 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:03:51,308 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:03:51,309 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:28: 2026-05-26T22:03:51,310 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:03:51,311 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,312 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:51,313 | ^ 2026-05-26T22:03:51,314 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,315 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,316 | ^~~~~~~~~ 2026-05-26T22:03:51,317 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,318 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:51,320 | ^ 2026-05-26T22:03:51,321 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,322 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,323 | ^~~~~~~~~ 2026-05-26T22:03:51,325 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,327 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:51,330 | ^ 2026-05-26T22:03:51,331 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,332 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,333 | ^~~~~~~~~ 2026-05-26T22:03:51,335 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,336 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:03:51,347 | ^ 2026-05-26T22:03:51,348 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,349 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,350 | ^~~~~~~~~ 2026-05-26T22:03:51,351 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:03:51,352 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,353 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:51,354 | ^ 2026-05-26T22:03:51,355 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,356 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,357 | ^~~~~~~~~ 2026-05-26T22:03:51,358 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,359 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:51,360 | ^ 2026-05-26T22:03:51,361 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,362 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,364 | ^~~~~~~~~ 2026-05-26T22:03:51,365 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,366 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:51,367 | ^ 2026-05-26T22:03:51,368 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,369 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,370 | ^~~~~~~~~ 2026-05-26T22:03:51,370 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:03:51,371 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:03:51,375 | ^ 2026-05-26T22:03:51,376 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:03:51,377 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:03:51,377 | ^~~~~~~~~ 2026-05-26T22:03:51,379 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:03:51,380 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:03:51,387 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:25: 2026-05-26T22:03:51,388 /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]’: 2026-05-26T22:03:51,389 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:51,390 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:51,391 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:51,392 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:03:51,393 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBAngle; _Alloc = std::allocator]’, 2026-05-26T22:03:51,394 inlined from ‘void OpenBabel::OBAngleData::SetData(OpenBabel::OBAngle&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1061:22: 2026-05-26T22:03:51,395 /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 2026-05-26T22:03:51,396 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,397 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:51,398 /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 >]’: 2026-05-26T22:03:51,399 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:03:51,400 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:51,401 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:51,402 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::triple; _Alloc = std::allocator >]’, 2026-05-26T22:03:51,403 inlined from ‘bool OpenBabel::OBTorsion::AddTorsion(OpenBabel::quad&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1278:19: 2026-05-26T22:03:51,404 /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 2026-05-26T22:03:51,404 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,406 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:51,407 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::triple; _Alloc = std::allocator >]’, 2026-05-26T22:03:51,408 inlined from ‘OpenBabel::OBTorsion::OBTorsion(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1129:19: 2026-05-26T22:03:51,409 /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 2026-05-26T22:03:51,410 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,410 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:51,411 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::triple; _Alloc = std::allocator >]’, 2026-05-26T22:03:51,412 inlined from ‘bool OpenBabel::OBTorsion::AddTorsion(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1258:19: 2026-05-26T22:03:51,413 /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 2026-05-26T22:03:51,414 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,415 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:51,416 /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]’: 2026-05-26T22:03:51,417 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:51,418 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:03:51,419 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:51,420 /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]’: 2026-05-26T22:03:51,421 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:03:51,422 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:03:51,423 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, 2026-05-26T22:03:51,424 inlined from ‘std::vector OpenBabel::OBUnitCell::GetCellVectors() const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:334:16: 2026-05-26T22:03:51,425 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:03:51,426 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:03:51,427 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:51,428 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:03:51,428 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, 2026-05-26T22:03:51,429 inlined from ‘std::vector OpenBabel::OBUnitCell::GetCellVectors() const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:335:16: 2026-05-26T22:03:51,430 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:03:51,430 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:03:51,431 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:51,432 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:03:51,433 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, 2026-05-26T22:03:51,434 inlined from ‘std::vector OpenBabel::OBUnitCell::GetCellVectors() const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:336:16: 2026-05-26T22:03:51,435 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:03:51,435 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:03:51,436 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:03:51,437 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-05-26T22:03:51,438 inlined from ‘void OpenBabel::OBOrbitalData::LoadClosedShellOrbitals(std::vector, std::vector >, unsigned int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1411:33: 2026-05-26T22:03:51,439 /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 2026-05-26T22:03:51,441 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,442 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:51,442 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-05-26T22:03:51,443 inlined from ‘void OpenBabel::OBOrbitalData::LoadBetaOrbitals(std::vector, std::vector >, unsigned int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1469:32: 2026-05-26T22:03:51,444 /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 2026-05-26T22:03:51,445 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,446 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:51,447 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-05-26T22:03:51,447 inlined from ‘void OpenBabel::OBOrbitalData::LoadAlphaOrbitals(std::vector, std::vector >, unsigned int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/generic.cpp:1440:33: 2026-05-26T22:03:51,448 /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 2026-05-26T22:03:51,449 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:03:51,450 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:03:54,485 [48/480] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o 2026-05-26T22:03:54,486 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:03:54,487 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/molchrg.cpp:22: 2026-05-26T22:03:54,488 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:03:54,489 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:03:54,490 281 | return ! ( (*this) == other ); 2026-05-26T22:03:54,491 | ^~~~~ 2026-05-26T22:03:54,492 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:03:54,493 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:03:54,494 | ^~~~~~~~ 2026-05-26T22:04:00,878 [49/480] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.cpp.o 2026-05-26T22:04:00,879 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:00,880 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:26, 2026-05-26T22:04:00,881 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/isomorphism.cpp:3: 2026-05-26T22:04:00,881 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:00,882 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:00,884 281 | return ! ( (*this) == other ); 2026-05-26T22:04:00,884 | ^~~~~ 2026-05-26T22:04:00,885 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:00,886 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:00,887 | ^~~~~~~~ 2026-05-26T22:04:01,062 [50/480] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o 2026-05-26T22:04:06,533 [51/480] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o 2026-05-26T22:04:06,534 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:06,535 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obfunctions.h:22, 2026-05-26T22:04:06,536 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/obfunctions.cpp:17: 2026-05-26T22:04:06,537 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:06,538 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:06,540 281 | return ! ( (*this) == other ); 2026-05-26T22:04:06,541 | ^~~~~ 2026-05-26T22:04:06,542 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:06,543 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:06,544 | ^~~~~~~~ 2026-05-26T22:04:13,409 [52/480] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o 2026-05-26T22:04:15,503 [53/480] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o 2026-05-26T22:04:15,504 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:04:15,505 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/obutil.cpp:21: 2026-05-26T22:04:15,507 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:15,508 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:15,509 281 | return ! ( (*this) == other ); 2026-05-26T22:04:15,510 | ^~~~~ 2026-05-26T22:04:15,511 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:15,512 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:15,513 | ^~~~~~~~ 2026-05-26T22:04:16,525 [54/480] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o 2026-05-26T22:04:17,314 [55/480] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o 2026-05-26T22:04:17,315 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:17,317 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:04:17,318 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:24: 2026-05-26T22:04:17,318 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:17,319 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:17,320 281 | return ! ( (*this) == other ); 2026-05-26T22:04:17,321 | ^~~~~ 2026-05-26T22:04:17,322 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:17,322 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:17,323 | ^~~~~~~~ 2026-05-26T22:04:17,324 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:04:17,325 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:04:17,326 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:29: 2026-05-26T22:04:17,327 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:17,328 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,329 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:17,330 | ^ 2026-05-26T22:04:17,331 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,332 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,334 | ^~~~~~~~~ 2026-05-26T22:04:17,335 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,336 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:17,337 | ^ 2026-05-26T22:04:17,338 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,339 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,339 | ^~~~~~~~~ 2026-05-26T22:04:17,340 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,341 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:17,342 | ^ 2026-05-26T22:04:17,343 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,344 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,345 | ^~~~~~~~~ 2026-05-26T22:04:17,346 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,347 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:17,348 | ^ 2026-05-26T22:04:17,349 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,357 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,359 | ^~~~~~~~~ 2026-05-26T22:04:17,360 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:17,361 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,361 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:17,362 | ^ 2026-05-26T22:04:17,365 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,366 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,367 | ^~~~~~~~~ 2026-05-26T22:04:17,368 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,370 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:17,371 | ^ 2026-05-26T22:04:17,372 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,373 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,374 | ^~~~~~~~~ 2026-05-26T22:04:17,375 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,376 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:17,377 | ^ 2026-05-26T22:04:17,378 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,379 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,380 | ^~~~~~~~~ 2026-05-26T22:04:17,381 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,382 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:17,383 | ^ 2026-05-26T22:04:17,384 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:17,385 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:17,386 | ^~~~~~~~~ 2026-05-26T22:04:17,387 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:34: 2026-05-26T22:04:17,388 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: 2026-05-26T22:04:17,389 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,397 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-05-26T22:04:17,397 | ^~~~~~~~~~~~~~ 2026-05-26T22:04:17,398 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:04:17,399 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:04:17,400 | ^~~~~ 2026-05-26T22:04:17,401 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,401 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} 2026-05-26T22:04:17,402 | ^~~~~~~~~~~~~~ 2026-05-26T22:04:17,403 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:04:17,404 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:04:17,405 | ^~~~~ 2026-05-26T22:04:17,406 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: 2026-05-26T22:04:17,407 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,408 118 | if (_ival) delete [] _ival; 2026-05-26T22:04:17,409 | ^~~~~ 2026-05-26T22:04:17,411 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:04:17,412 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:04:17,413 | ^~~~~ 2026-05-26T22:04:17,414 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,414 118 | if (_ival) delete [] _ival; 2026-05-26T22:04:17,415 | ^~~~~ 2026-05-26T22:04:17,416 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:04:17,417 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:04:17,418 | ^~~~~ 2026-05-26T22:04:17,419 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,420 118 | if (_ival) delete [] _ival; 2026-05-26T22:04:17,421 | ^~~~~ 2026-05-26T22:04:17,422 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:04:17,423 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:04:17,424 | ^~~~~ 2026-05-26T22:04:17,425 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,426 118 | if (_ival) delete [] _ival; 2026-05-26T22:04:17,426 | ^~~~~ 2026-05-26T22:04:17,427 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/grid.h:105:26: note: declared here 2026-05-26T22:04:17,428 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated 2026-05-26T22:04:17,429 | ^~~~~ 2026-05-26T22:04:17,430 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintEnergy()’: 2026-05-26T22:04:17,431 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:526:53: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,432 526 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-05-26T22:04:17,433 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-05-26T22:04:17,433 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1569:19: note: declared here 2026-05-26T22:04:17,434 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-05-26T22:04:17,435 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,436 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:543:54: warning: ‘static double OpenBabel::OBForceField::VectorAngleDerivative(OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,437 543 | theta = OBForceField::VectorAngleDerivative(da, db, dc); 2026-05-26T22:04:17,438 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,439 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1585:19: note: declared here 2026-05-26T22:04:17,440 1585 | static double VectorAngleDerivative(vector3 &a, vector3 &b, vector3 &c); 2026-05-26T22:04:17,441 | ^~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,442 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:562:56: warning: ‘static double OpenBabel::OBForceField::VectorTorsionDerivative(OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:17,443 562 | theta = OBForceField::VectorTorsionDerivative(da, db, dc, dd); 2026-05-26T22:04:17,444 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,445 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1618:19: note: declared here 2026-05-26T22:04:17,446 1618 | static double VectorTorsionDerivative(vector3 &a, vector3 &b, vector3 &c, vector3 &d); 2026-05-26T22:04:17,447 | ^~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,448 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::SystematicRotorSearchInitialize(unsigned int, bool)’: 2026-05-26T22:04:17,449 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1224:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-05-26T22:04:17,450 1224 | rl.SetFixAtoms(fixed); 2026-05-26T22:04:17,451 | ~~~~~~~~~~~~~~^~~~~~~ 2026-05-26T22:04:17,452 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotamer.h:26, 2026-05-26T22:04:17,452 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:32: 2026-05-26T22:04:17,453 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:625:10: note: declared here 2026-05-26T22:04:17,467 625 | void SetFixAtoms(OBBitVec &fix) 2026-05-26T22:04:17,468 | ^~~~~~~~~~~ 2026-05-26T22:04:17,469 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’: 2026-05-26T22:04:17,469 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1345:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-05-26T22:04:17,470 1345 | rl.SetFixAtoms(fixed); 2026-05-26T22:04:17,471 | ~~~~~~~~~~~~~~^~~~~~~ 2026-05-26T22:04:17,472 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:625:10: note: declared here 2026-05-26T22:04:17,473 625 | void SetFixAtoms(OBBitVec &fix) 2026-05-26T22:04:17,474 | ^~~~~~~~~~~ 2026-05-26T22:04:17,475 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp: In member function ‘void OpenBabel::OBForceField::RandomRotorSearchInitialize(unsigned int, unsigned int, bool)’: 2026-05-26T22:04:17,476 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1492:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-05-26T22:04:17,477 1492 | rl.SetFixAtoms(fixed); 2026-05-26T22:04:17,478 | ~~~~~~~~~~~~~~^~~~~~~ 2026-05-26T22:04:17,479 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:625:10: note: declared here 2026-05-26T22:04:17,481 625 | void SetFixAtoms(OBBitVec &fix) 2026-05-26T22:04:17,482 | ^~~~~~~~~~~ 2026-05-26T22:04:17,483 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp: In member function ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’: 2026-05-26T22:04:17,484 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1678:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-05-26T22:04:17,485 1678 | rl.SetFixAtoms(fixed); 2026-05-26T22:04:17,486 | ~~~~~~~~~~~~~~^~~~~~~ 2026-05-26T22:04:17,487 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:625:10: note: declared here 2026-05-26T22:04:17,488 625 | void SetFixAtoms(OBBitVec &fix) 2026-05-26T22:04:17,488 | ^~~~~~~~~~~ 2026-05-26T22:04:17,489 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:04:17,490 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:22: 2026-05-26T22:04:17,492 /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]’: 2026-05-26T22:04:17,493 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:17,494 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:04:17,495 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,496 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:04:17,497 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,497 inlined from ‘void OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:704:27: 2026-05-26T22:04:17,498 /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 2026-05-26T22:04:17,499 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,500 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,501 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,501 inlined from ‘void OpenBabel::OBFFConstraints::AddIgnore(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:624:27: 2026-05-26T22:04:17,502 /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 2026-05-26T22:04:17,503 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,517 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,517 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,518 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:635:27: 2026-05-26T22:04:17,519 /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 2026-05-26T22:04:17,520 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,521 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,522 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,523 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:646:27: 2026-05-26T22:04:17,524 /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 2026-05-26T22:04:17,525 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,526 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,527 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,528 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:657:27: 2026-05-26T22:04:17,529 /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 2026-05-26T22:04:17,530 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,531 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,532 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,533 inlined from ‘void OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:679:27: 2026-05-26T22:04:17,534 /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 2026-05-26T22:04:17,535 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,536 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,537 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,537 inlined from ‘void OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:668:27: 2026-05-26T22:04:17,538 /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 2026-05-26T22:04:17,539 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,540 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,540 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator]’, 2026-05-26T22:04:17,541 inlined from ‘void OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:691:27: 2026-05-26T22:04:17,542 /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 2026-05-26T22:04:17,543 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,544 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,545 /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]’: 2026-05-26T22:04:17,546 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:17,547 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:04:17,548 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,549 /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]’: 2026-05-26T22:04:17,550 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:17,551 /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]’: 2026-05-26T22:04:17,552 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:17,553 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,554 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, 2026-05-26T22:04:17,555 inlined from ‘bool OpenBabel::OBForceField::RandomRotorSearchNextConformer(unsigned int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1583:24: 2026-05-26T22:04:17,556 /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 2026-05-26T22:04:17,556 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:17,557 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,558 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,559 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, 2026-05-26T22:04:17,560 inlined from ‘bool OpenBabel::OBForceField::SystematicRotorSearchNextConformer(unsigned int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1309:24: 2026-05-26T22:04:17,561 /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 2026-05-26T22:04:17,577 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:17,577 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,578 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,579 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, 2026-05-26T22:04:17,580 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1707:26: 2026-05-26T22:04:17,581 /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 2026-05-26T22:04:17,582 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:17,583 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,584 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,585 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, 2026-05-26T22:04:17,587 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1712:24: 2026-05-26T22:04:17,588 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:04:17,588 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:17,589 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:17,590 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,591 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1761:27: 2026-05-26T22:04:17,592 /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 2026-05-26T22:04:17,594 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,594 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,595 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,596 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1780:28: 2026-05-26T22:04:17,597 /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 2026-05-26T22:04:17,598 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,599 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,600 /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 2026-05-26T22:04:17,601 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:17,602 inlined from ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1836:26: 2026-05-26T22:04:17,603 /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 2026-05-26T22:04:17,604 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:17,605 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:17,606 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:04:17,607 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, 2026-05-26T22:04:17,608 inlined from ‘bool OpenBabel::OBForceField::GetCoordinates(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefield.cpp:1084:23: 2026-05-26T22:04:17,609 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:04:17,610 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:17,611 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:18,256 [56/480] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o 2026-05-26T22:04:18,258 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:18,259 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/obiter.cpp:24: 2026-05-26T22:04:18,260 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:18,261 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:18,262 281 | return ! ( (*this) == other ); 2026-05-26T22:04:18,264 | ^~~~~ 2026-05-26T22:04:18,265 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:18,266 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:18,267 | ^~~~~~~~ 2026-05-26T22:04:24,893 [57/480] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o 2026-05-26T22:04:26,280 [58/480] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o 2026-05-26T22:04:26,281 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/patty.h:23, 2026-05-26T22:04:26,282 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/patty.cpp:24: 2026-05-26T22:04:26,283 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:26,283 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,284 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:26,285 | ^ 2026-05-26T22:04:26,286 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,287 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,288 | ^~~~~~~~~ 2026-05-26T22:04:26,289 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,290 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:26,291 | ^ 2026-05-26T22:04:26,292 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,293 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,294 | ^~~~~~~~~ 2026-05-26T22:04:26,295 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,297 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:26,298 | ^ 2026-05-26T22:04:26,299 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,300 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,301 | ^~~~~~~~~ 2026-05-26T22:04:26,307 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,317 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:26,318 | ^ 2026-05-26T22:04:26,319 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,320 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,320 | ^~~~~~~~~ 2026-05-26T22:04:26,321 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:26,322 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,323 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:26,323 | ^ 2026-05-26T22:04:26,324 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,325 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,326 | ^~~~~~~~~ 2026-05-26T22:04:26,327 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,328 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:26,329 | ^ 2026-05-26T22:04:26,329 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,331 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,332 | ^~~~~~~~~ 2026-05-26T22:04:26,333 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,334 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:26,335 | ^ 2026-05-26T22:04:26,336 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,347 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,357 | ^~~~~~~~~ 2026-05-26T22:04:26,358 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:26,359 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:26,359 | ^ 2026-05-26T22:04:26,360 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:26,361 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:26,363 | ^~~~~~~~~ 2026-05-26T22:04:27,631 [59/480] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o 2026-05-26T22:04:27,633 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:27,634 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/phmodel.cpp:22: 2026-05-26T22:04:27,635 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:27,635 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:27,636 281 | return ! ( (*this) == other ); 2026-05-26T22:04:27,637 | ^~~~~ 2026-05-26T22:04:27,638 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:27,639 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:27,640 | ^~~~~~~~ 2026-05-26T22:04:27,641 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:04:27,642 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/phmodel.cpp:24: 2026-05-26T22:04:27,643 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:27,644 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,645 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:27,646 | ^ 2026-05-26T22:04:27,647 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,648 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,649 | ^~~~~~~~~ 2026-05-26T22:04:27,650 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,651 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:27,652 | ^ 2026-05-26T22:04:27,653 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,654 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,667 | ^~~~~~~~~ 2026-05-26T22:04:27,668 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,669 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:27,670 | ^ 2026-05-26T22:04:27,671 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,672 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,673 | ^~~~~~~~~ 2026-05-26T22:04:27,674 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,675 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:27,676 | ^ 2026-05-26T22:04:27,677 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,678 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,678 | ^~~~~~~~~ 2026-05-26T22:04:27,679 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:27,680 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,681 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:27,682 | ^ 2026-05-26T22:04:27,683 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,684 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,685 | ^~~~~~~~~ 2026-05-26T22:04:27,686 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,687 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:27,688 | ^ 2026-05-26T22:04:27,689 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,690 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,691 | ^~~~~~~~~ 2026-05-26T22:04:27,693 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,694 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:27,695 | ^ 2026-05-26T22:04:27,696 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,697 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,698 | ^~~~~~~~~ 2026-05-26T22:04:27,707 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:27,708 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:27,709 | ^ 2026-05-26T22:04:27,710 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:27,712 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:27,712 | ^~~~~~~~~ 2026-05-26T22:04:27,713 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:04:27,714 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:04:27,715 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/phmodel.cpp:21: 2026-05-26T22:04:27,716 /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]’: 2026-05-26T22:04:27,717 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:27,718 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:04:27,719 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:27,722 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:27,723 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, 2026-05-26T22:04:27,737 inlined from ‘virtual void OpenBabel::OBPhModel::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/phmodel.cpp:95:24: 2026-05-26T22:04:27,738 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:04:27,739 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:27,740 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:27,747 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:27,748 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, 2026-05-26T22:04:27,749 inlined from ‘virtual void OpenBabel::OBPhModel::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/phmodel.cpp:118:23: 2026-05-26T22:04:27,750 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:04:27,751 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:04:27,752 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:32,987 [60/480] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o 2026-05-26T22:04:35,421 [61/480] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o 2026-05-26T22:04:35,422 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:35,423 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:04:35,424 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/query.h:27, 2026-05-26T22:04:35,425 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/query.cpp:25: 2026-05-26T22:04:35,427 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:35,428 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:35,429 281 | return ! ( (*this) == other ); 2026-05-26T22:04:35,430 | ^~~~~ 2026-05-26T22:04:35,431 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:35,432 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:35,433 | ^~~~~~~~ 2026-05-26T22:04:39,125 [62/480] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o 2026-05-26T22:04:39,126 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:39,127 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/pointgroup.cpp:24: 2026-05-26T22:04:39,128 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:39,129 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:39,130 281 | return ! ( (*this) == other ); 2026-05-26T22:04:39,131 | ^~~~~ 2026-05-26T22:04:39,132 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:39,133 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:39,134 | ^~~~~~~~ 2026-05-26T22:04:39,140 [63/480] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o 2026-05-26T22:04:39,141 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:39,142 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/parsmart.cpp:27: 2026-05-26T22:04:39,143 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:39,144 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:39,145 281 | return ! ( (*this) == other ); 2026-05-26T22:04:39,146 | ^~~~~ 2026-05-26T22:04:39,147 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:39,148 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:39,150 | ^~~~~~~~ 2026-05-26T22:04:39,151 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/parsmart.cpp:29: 2026-05-26T22:04:39,152 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:39,153 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,154 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:39,156 | ^ 2026-05-26T22:04:39,158 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,160 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,161 | ^~~~~~~~~ 2026-05-26T22:04:39,162 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,164 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:39,165 | ^ 2026-05-26T22:04:39,166 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,167 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,177 | ^~~~~~~~~ 2026-05-26T22:04:39,178 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,178 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:39,180 | ^ 2026-05-26T22:04:39,181 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,182 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,183 | ^~~~~~~~~ 2026-05-26T22:04:39,184 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,187 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:39,187 | ^ 2026-05-26T22:04:39,188 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,189 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,191 | ^~~~~~~~~ 2026-05-26T22:04:39,192 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:39,193 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,194 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:39,195 | ^ 2026-05-26T22:04:39,196 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,197 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,198 | ^~~~~~~~~ 2026-05-26T22:04:39,200 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,201 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:39,207 | ^ 2026-05-26T22:04:39,208 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,208 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,217 | ^~~~~~~~~ 2026-05-26T22:04:39,218 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,218 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:39,219 | ^ 2026-05-26T22:04:39,220 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,221 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,222 | ^~~~~~~~~ 2026-05-26T22:04:39,223 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,223 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:39,225 | ^ 2026-05-26T22:04:39,226 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,227 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,228 | ^~~~~~~~~ 2026-05-26T22:04:39,229 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/parsmart.cpp: In destructor ‘virtual OpenBabel::OBSmartsPattern::~OBSmartsPattern()’: 2026-05-26T22:04:39,230 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/parsmart.cpp:1807:37: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,231 1807 | OBSmartsPattern::~OBSmartsPattern() 2026-05-26T22:04:39,232 | ^ 2026-05-26T22:04:39,233 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,234 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,235 | ^~~~~~~~~ 2026-05-26T22:04:39,236 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/parsmart.cpp:1807:37: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:39,237 1807 | OBSmartsPattern::~OBSmartsPattern() 2026-05-26T22:04:39,238 | ^ 2026-05-26T22:04:39,239 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:39,240 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:39,241 | ^~~~~~~~~ 2026-05-26T22:04:41,908 [64/480] Building CXX object src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o 2026-05-26T22:04:41,909 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:41,909 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/reactionfacade.cpp:21: 2026-05-26T22:04:41,910 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:41,911 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:41,912 281 | return ! ( (*this) == other ); 2026-05-26T22:04:41,913 | ^~~~~ 2026-05-26T22:04:41,914 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:41,915 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:41,915 | ^~~~~~~~ 2026-05-26T22:04:42,291 [65/480] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o 2026-05-26T22:04:42,292 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:42,293 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:04:42,294 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:23: 2026-05-26T22:04:42,295 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:42,296 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:42,297 281 | return ! ( (*this) == other ); 2026-05-26T22:04:42,298 | ^~~~~ 2026-05-26T22:04:42,299 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:42,300 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:42,301 | ^~~~~~~~ 2026-05-26T22:04:42,302 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:04:42,303 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:04:42,304 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:24: 2026-05-26T22:04:42,305 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:42,306 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,307 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:42,308 | ^ 2026-05-26T22:04:42,311 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,312 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,313 | ^~~~~~~~~ 2026-05-26T22:04:42,314 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,315 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:42,316 | ^ 2026-05-26T22:04:42,317 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,318 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,319 | ^~~~~~~~~ 2026-05-26T22:04:42,319 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,320 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:42,322 | ^ 2026-05-26T22:04:42,325 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,326 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,328 | ^~~~~~~~~ 2026-05-26T22:04:42,329 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,331 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:42,332 | ^ 2026-05-26T22:04:42,337 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,338 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,342 | ^~~~~~~~~ 2026-05-26T22:04:42,343 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:42,344 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,345 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:42,346 | ^ 2026-05-26T22:04:42,348 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,349 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,350 | ^~~~~~~~~ 2026-05-26T22:04:42,352 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,353 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:42,355 | ^ 2026-05-26T22:04:42,357 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,358 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,358 | ^~~~~~~~~ 2026-05-26T22:04:42,359 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,361 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:42,364 | ^ 2026-05-26T22:04:42,366 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,368 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,370 | ^~~~~~~~~ 2026-05-26T22:04:42,372 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:42,374 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:42,376 | ^ 2026-05-26T22:04:42,380 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:42,381 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:42,385 | ^~~~~~~~~ 2026-05-26T22:04:42,386 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:04:42,387 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:04:42,388 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:22: 2026-05-26T22:04:42,389 /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 >]’: 2026-05-26T22:04:42,393 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:04:42,400 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:04:42,402 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,403 /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]’: 2026-05-26T22:04:42,405 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:42,406 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:04:42,407 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:04:42,410 inlined from ‘std::vector OpenBabel::OBMol::Separate(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:4059:23: 2026-05-26T22:04:42,411 /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 2026-05-26T22:04:42,412 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:42,414 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:42,415 In file included from /usr/include/c++/12/algorithm:61, 2026-05-26T22:04:42,416 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:24: 2026-05-26T22:04:42,417 /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&)>]’: 2026-05-26T22:04:42,418 /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 2026-05-26T22:04:42,419 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:04:42,419 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,421 /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 2026-05-26T22:04:42,422 /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&)>]’: 2026-05-26T22:04:42,424 /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 2026-05-26T22:04:42,426 82 | __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b, 2026-05-26T22:04:42,428 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,429 /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 2026-05-26T22:04:42,430 /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 2026-05-26T22:04:42,431 /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 2026-05-26T22:04:42,435 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-05-26T22:04:42,437 /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&)>]’: 2026-05-26T22:04:42,438 /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 2026-05-26T22:04:42,439 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-05-26T22:04:42,440 | ^~~~~~~~~~~~~ 2026-05-26T22:04:42,441 /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&)>]’: 2026-05-26T22:04:42,443 /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 2026-05-26T22:04:42,444 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:04:42,452 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,453 /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 2026-05-26T22:04:42,454 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&)>]’, 2026-05-26T22:04:42,455 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: 2026-05-26T22:04:42,456 /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 2026-05-26T22:04:42,457 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-05-26T22:04:42,458 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,459 1888 | __comp); 2026-05-26T22:04:42,460 | ~~~~~~~ 2026-05-26T22:04:42,461 /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 2026-05-26T22:04:42,463 /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&)>]’: 2026-05-26T22:04:42,464 /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 2026-05-26T22:04:42,465 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:04:42,466 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,468 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:04:42,469 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3034:31: 2026-05-26T22:04:42,470 /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 2026-05-26T22:04:42,470 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:42,472 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:42,473 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&)>]’, 2026-05-26T22:04:42,474 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, 2026-05-26T22:04:42,475 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, 2026-05-26T22:04:42,477 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, 2026-05-26T22:04:42,478 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3036:9: 2026-05-26T22:04:42,480 /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 2026-05-26T22:04:42,481 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-05-26T22:04:42,483 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,484 1888 | __comp); 2026-05-26T22:04:42,485 | ~~~~~~~ 2026-05-26T22:04:42,486 /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 2026-05-26T22:04:42,488 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&)>]’, 2026-05-26T22:04:42,489 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, 2026-05-26T22:04:42,490 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, 2026-05-26T22:04:42,491 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3036:9: 2026-05-26T22:04:42,492 /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 2026-05-26T22:04:42,493 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:04:42,494 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,495 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&)>]’, 2026-05-26T22:04:42,497 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, 2026-05-26T22:04:42,498 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, 2026-05-26T22:04:42,499 inlined from ‘void OpenBabel::OBMol::ConnectTheDots()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3036:9: 2026-05-26T22:04:42,501 /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 2026-05-26T22:04:42,503 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:04:42,505 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,507 /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 2026-05-26T22:04:42,510 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:04:42,512 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,513 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:04:42,514 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3453:30: 2026-05-26T22:04:42,516 /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 2026-05-26T22:04:42,519 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:42,520 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:42,521 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&)>]’, 2026-05-26T22:04:42,522 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, 2026-05-26T22:04:42,526 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, 2026-05-26T22:04:42,527 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, 2026-05-26T22:04:42,528 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3455:9: 2026-05-26T22:04:42,529 /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 2026-05-26T22:04:42,531 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-05-26T22:04:42,537 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,538 1888 | __comp); 2026-05-26T22:04:42,539 | ~~~~~~~ 2026-05-26T22:04:42,540 /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 2026-05-26T22:04:42,541 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&)>]’, 2026-05-26T22:04:42,547 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, 2026-05-26T22:04:42,548 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, 2026-05-26T22:04:42,549 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3455:9: 2026-05-26T22:04:42,550 /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 2026-05-26T22:04:42,551 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:04:42,552 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,552 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&)>]’, 2026-05-26T22:04:42,553 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, 2026-05-26T22:04:42,554 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, 2026-05-26T22:04:42,557 inlined from ‘void OpenBabel::OBMol::PerceiveBondOrders()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mol.cpp:3455:9: 2026-05-26T22:04:42,567 /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 2026-05-26T22:04:42,567 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:04:42,568 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:42,569 /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 2026-05-26T22:04:42,570 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:04:42,571 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:46,735 [66/480] Building CXX object src/CMakeFiles/openbabel.dir/residue.cpp.o 2026-05-26T22:04:46,736 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:46,737 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/residue.cpp:34: 2026-05-26T22:04:46,738 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:46,739 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:46,741 281 | return ! ( (*this) == other ); 2026-05-26T22:04:46,741 | ^~~~~ 2026-05-26T22:04:46,742 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:46,743 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:46,744 | ^~~~~~~~ 2026-05-26T22:04:55,114 [67/480] Building CXX object src/CMakeFiles/openbabel.dir/ring.cpp.o 2026-05-26T22:04:55,115 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:04:55,116 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:04:55,117 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:24: 2026-05-26T22:04:55,117 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:55,118 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,119 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:55,120 | ^ 2026-05-26T22:04:55,120 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,121 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,122 | ^~~~~~~~~ 2026-05-26T22:04:55,123 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,123 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:55,124 | ^ 2026-05-26T22:04:55,125 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,126 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,127 | ^~~~~~~~~ 2026-05-26T22:04:55,128 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,129 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:55,130 | ^ 2026-05-26T22:04:55,131 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,132 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,133 | ^~~~~~~~~ 2026-05-26T22:04:55,134 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,135 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:55,136 | ^ 2026-05-26T22:04:55,137 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,138 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,139 | ^~~~~~~~~ 2026-05-26T22:04:55,139 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:55,140 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,141 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:55,142 | ^ 2026-05-26T22:04:55,143 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,144 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,145 | ^~~~~~~~~ 2026-05-26T22:04:55,145 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,146 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:55,147 | ^ 2026-05-26T22:04:55,148 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,149 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,149 | ^~~~~~~~~ 2026-05-26T22:04:55,150 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,151 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:55,152 | ^ 2026-05-26T22:04:55,152 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,153 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,154 | ^~~~~~~~~ 2026-05-26T22:04:55,155 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,156 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:55,156 | ^ 2026-05-26T22:04:55,157 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:55,158 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:55,160 | ^~~~~~~~~ 2026-05-26T22:04:55,160 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:55,161 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:04:55,162 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:25: 2026-05-26T22:04:55,163 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:55,164 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:55,165 281 | return ! ( (*this) == other ); 2026-05-26T22:04:55,166 | ^~~~~ 2026-05-26T22:04:55,167 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:55,167 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:55,177 | ^~~~~~~~ 2026-05-26T22:04:55,178 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp: In constructor ‘OpenBabel::OBRingSearch::OBRingSearch()’: 2026-05-26T22:04:55,179 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,180 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-05-26T22:04:55,181 | ^ 2026-05-26T22:04:55,182 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:124:40: note: declared here 2026-05-26T22:04:55,183 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-05-26T22:04:55,184 | ^~~~~~ 2026-05-26T22:04:55,185 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,188 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-05-26T22:04:55,189 | ^ 2026-05-26T22:04:55,190 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:124:40: note: declared here 2026-05-26T22:04:55,191 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-05-26T22:04:55,192 | ^~~~~~ 2026-05-26T22:04:55,193 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,199 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-05-26T22:04:55,207 | ^ 2026-05-26T22:04:55,208 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:124:40: note: declared here 2026-05-26T22:04:55,208 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-05-26T22:04:55,209 | ^~~~~~ 2026-05-26T22:04:55,210 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,211 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) 2026-05-26T22:04:55,212 | ^ 2026-05-26T22:04:55,213 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:124:40: note: declared here 2026-05-26T22:04:55,213 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-05-26T22:04:55,214 | ^~~~~~ 2026-05-26T22:04:55,226 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp: In destructor ‘OpenBabel::OBRingSearch::~OBRingSearch()’: 2026-05-26T22:04:55,227 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:521:31: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,228 521 | OBRingSearch::~OBRingSearch() 2026-05-26T22:04:55,229 | ^ 2026-05-26T22:04:55,230 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:124:40: note: declared here 2026-05-26T22:04:55,231 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-05-26T22:04:55,231 | ^~~~~~ 2026-05-26T22:04:55,232 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ring.cpp:521:31: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:55,233 521 | OBRingSearch::~OBRingSearch() 2026-05-26T22:04:55,234 | ^ 2026-05-26T22:04:55,235 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:124:40: note: declared here 2026-05-26T22:04:55,235 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) 2026-05-26T22:04:55,236 | ^~~~~~ 2026-05-26T22:04:55,975 [68/480] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o 2026-05-26T22:04:55,976 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:55,977 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/mcdlutil.cpp:23: 2026-05-26T22:04:55,977 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:55,978 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:55,980 281 | return ! ( (*this) == other ); 2026-05-26T22:04:55,981 | ^~~~~ 2026-05-26T22:04:55,981 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:55,982 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:55,983 | ^~~~~~~~ 2026-05-26T22:04:55,991 [69/480] Building CXX object src/CMakeFiles/openbabel.dir/rotamer.cpp.o 2026-05-26T22:04:55,992 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:55,993 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotamer.cpp:22: 2026-05-26T22:04:55,994 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:55,995 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:55,996 281 | return ! ( (*this) == other ); 2026-05-26T22:04:55,997 | ^~~~~ 2026-05-26T22:04:55,998 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:55,999 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:56,000 | ^~~~~~~~ 2026-05-26T22:04:56,001 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:04:56,002 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:04:56,002 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotamer.cpp:23: 2026-05-26T22:04:56,003 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:04:56,004 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,005 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:56,006 | ^ 2026-05-26T22:04:56,007 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,008 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,008 | ^~~~~~~~~ 2026-05-26T22:04:56,009 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,011 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:56,012 | ^ 2026-05-26T22:04:56,013 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,014 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,015 | ^~~~~~~~~ 2026-05-26T22:04:56,016 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,017 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:56,018 | ^ 2026-05-26T22:04:56,019 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,020 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,020 | ^~~~~~~~~ 2026-05-26T22:04:56,022 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,023 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:04:56,024 | ^ 2026-05-26T22:04:56,025 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,026 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,026 | ^~~~~~~~~ 2026-05-26T22:04:56,027 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:04:56,028 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,037 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:56,037 | ^ 2026-05-26T22:04:56,038 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,039 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,040 | ^~~~~~~~~ 2026-05-26T22:04:56,041 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,042 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:56,043 | ^ 2026-05-26T22:04:56,044 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,045 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,046 | ^~~~~~~~~ 2026-05-26T22:04:56,046 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,047 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:56,048 | ^ 2026-05-26T22:04:56,049 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,050 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,051 | ^~~~~~~~~ 2026-05-26T22:04:56,052 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:04:56,053 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:04:56,053 | ^ 2026-05-26T22:04:56,054 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:04:56,055 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:04:56,056 | ^~~~~~~~~ 2026-05-26T22:04:56,058 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:04:56,058 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:04:56,059 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotamer.cpp:21: 2026-05-26T22:04:56,060 /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]’: 2026-05-26T22:04:56,061 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:04:56,062 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:04:56,062 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:04:56,063 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:04:56,064 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:04:56,065 inlined from ‘void OpenBabel::OBRotamerList::Setup(OpenBabel::OBMol&, OpenBabel::OBRotorList&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotamer.cpp:258:33: 2026-05-26T22:04:56,066 /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 2026-05-26T22:04:56,066 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:04:56,067 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:04:57,206 [70/480] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o 2026-05-26T22:04:57,207 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:04:57,208 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/tautomer.cpp:21: 2026-05-26T22:04:57,209 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:04:57,210 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:04:57,211 281 | return ! ( (*this) == other ); 2026-05-26T22:04:57,212 | ^~~~~ 2026-05-26T22:04:57,213 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:04:57,214 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:04:57,215 | ^~~~~~~~ 2026-05-26T22:05:00,980 [71/480] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o 2026-05-26T22:05:01,022 [72/480] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o 2026-05-26T22:05:01,023 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:01,024 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/spectrophore.cpp:27: 2026-05-26T22:05:01,025 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:01,026 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:01,027 281 | return ! ( (*this) == other ); 2026-05-26T22:05:01,028 | ^~~~~ 2026-05-26T22:05:01,029 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:01,029 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:01,030 | ^~~~~~~~ 2026-05-26T22:05:01,428 [73/480] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o 2026-05-26T22:05:01,428 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:01,429 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:05:01,430 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:23: 2026-05-26T22:05:01,431 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:01,432 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:01,433 281 | return ! ( (*this) == other ); 2026-05-26T22:05:01,433 | ^~~~~ 2026-05-26T22:05:01,434 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:01,435 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:01,436 | ^~~~~~~~ 2026-05-26T22:05:01,437 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:05:01,438 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:05:01,438 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:24: 2026-05-26T22:05:01,439 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:05:01,440 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,442 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:01,443 | ^ 2026-05-26T22:05:01,444 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,445 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,446 | ^~~~~~~~~ 2026-05-26T22:05:01,447 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,449 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:01,450 | ^ 2026-05-26T22:05:01,451 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,452 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,453 | ^~~~~~~~~ 2026-05-26T22:05:01,454 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,455 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:01,456 | ^ 2026-05-26T22:05:01,456 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,457 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,458 | ^~~~~~~~~ 2026-05-26T22:05:01,464 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,465 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:01,466 | ^ 2026-05-26T22:05:01,466 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,467 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,468 | ^~~~~~~~~ 2026-05-26T22:05:01,469 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:05:01,470 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,471 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:01,472 | ^ 2026-05-26T22:05:01,472 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,473 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,474 | ^~~~~~~~~ 2026-05-26T22:05:01,475 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,476 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:01,478 | ^ 2026-05-26T22:05:01,479 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,480 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,481 | ^~~~~~~~~ 2026-05-26T22:05:01,481 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,483 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:01,483 | ^ 2026-05-26T22:05:01,484 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,485 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,486 | ^~~~~~~~~ 2026-05-26T22:05:01,488 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,489 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:01,494 | ^ 2026-05-26T22:05:01,495 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:01,496 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:01,497 | ^~~~~~~~~ 2026-05-26T22:05:01,498 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp: In member function ‘bool OpenBabel::OBRotorList::SetEvalAtoms(OpenBabel::OBMol&)’: 2026-05-26T22:05:01,499 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:335:28: warning: ‘void OpenBabel::OBRotor::SetEvalAtoms(OpenBabel::OBBitVec&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:01,500 335 | rotor->SetEvalAtoms(eval); 2026-05-26T22:05:01,500 | ~~~~~~~~~~~~~~~~~~~^~~~~~ 2026-05-26T22:05:01,501 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:27: 2026-05-26T22:05:01,502 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:435:10: note: declared here 2026-05-26T22:05:01,503 435 | void SetEvalAtoms(OBBitVec &bv) { _evalatoms = bv; } 2026-05-26T22:05:01,504 | ^~~~~~~~~~~~ 2026-05-26T22:05:01,505 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:05:01,506 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:05:01,507 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:22: 2026-05-26T22:05:01,508 /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]’: 2026-05-26T22:05:01,508 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:01,509 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:01,510 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,511 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:05:01,512 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,513 inlined from ‘void OpenBabel::OBRotor::RemoveSymTorsionValues(int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:754:25: 2026-05-26T22:05:01,514 /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 2026-05-26T22:05:01,515 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:01,516 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:01,517 /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]’: 2026-05-26T22:05:01,518 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:01,520 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:01,524 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,525 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,526 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, 2026-05-26T22:05:01,527 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:681:25: 2026-05-26T22:05:01,528 /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 2026-05-26T22:05:01,529 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,530 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,530 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,531 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, 2026-05-26T22:05:01,532 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:682:25: 2026-05-26T22:05:01,533 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:01,534 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,535 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,536 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,537 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, 2026-05-26T22:05:01,538 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:683:24: 2026-05-26T22:05:01,539 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:01,539 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,542 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,542 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,543 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, 2026-05-26T22:05:01,544 inlined from ‘void OpenBabel::OBRotor::Precalc(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:689:26: 2026-05-26T22:05:01,545 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:01,546 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,551 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,552 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,552 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, 2026-05-26T22:05:01,553 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:831:28: 2026-05-26T22:05:01,554 /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 2026-05-26T22:05:01,555 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,556 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,557 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,557 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, 2026-05-26T22:05:01,558 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:840:28: 2026-05-26T22:05:01,559 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:01,560 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,561 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,562 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,562 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, 2026-05-26T22:05:01,563 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:849:28: 2026-05-26T22:05:01,564 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:01,565 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,567 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:01,568 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:01,569 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, 2026-05-26T22:05:01,570 inlined from ‘virtual void OpenBabel::OBRotorRules::ParseLine(const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/rotor.cpp:871:29: 2026-05-26T22:05:01,571 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:01,571 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:01,572 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:06,069 [74/480] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o 2026-05-26T22:05:06,070 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:05:06,071 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:05:06,072 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:05:06,072 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:05:06,073 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/transform.cpp:21: 2026-05-26T22:05:06,074 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:06,075 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:06,076 281 | return ! ( (*this) == other ); 2026-05-26T22:05:06,077 | ^~~~~ 2026-05-26T22:05:06,078 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:06,079 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:06,080 | ^~~~~~~~ 2026-05-26T22:05:06,081 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/transform.cpp:25: 2026-05-26T22:05:06,082 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:05:06,083 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,084 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:06,085 | ^ 2026-05-26T22:05:06,086 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,087 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,088 | ^~~~~~~~~ 2026-05-26T22:05:06,089 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,090 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:06,091 | ^ 2026-05-26T22:05:06,092 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,093 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,094 | ^~~~~~~~~ 2026-05-26T22:05:06,095 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,096 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:06,097 | ^ 2026-05-26T22:05:06,098 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,099 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,100 | ^~~~~~~~~ 2026-05-26T22:05:06,101 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,102 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:06,103 | ^ 2026-05-26T22:05:06,104 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,105 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,117 | ^~~~~~~~~ 2026-05-26T22:05:06,118 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:05:06,118 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,120 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:06,120 | ^ 2026-05-26T22:05:06,137 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,138 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,139 | ^~~~~~~~~ 2026-05-26T22:05:06,140 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,141 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:06,142 | ^ 2026-05-26T22:05:06,143 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,144 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,145 | ^~~~~~~~~ 2026-05-26T22:05:06,146 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,147 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:06,148 | ^ 2026-05-26T22:05:06,149 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,150 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,151 | ^~~~~~~~~ 2026-05-26T22:05:06,152 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:06,154 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:06,154 | ^ 2026-05-26T22:05:06,155 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:06,156 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:06,157 | ^~~~~~~~~ 2026-05-26T22:05:10,031 [75/480] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o 2026-05-26T22:05:10,032 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:10,033 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/typer.cpp:22: 2026-05-26T22:05:10,034 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:10,035 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:10,036 281 | return ! ( (*this) == other ); 2026-05-26T22:05:10,037 | ^~~~~ 2026-05-26T22:05:10,038 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:10,038 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:10,039 | ^~~~~~~~ 2026-05-26T22:05:10,040 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:05:10,041 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:05:10,042 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/typer.cpp:24: 2026-05-26T22:05:10,044 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:05:10,045 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,046 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:10,047 | ^ 2026-05-26T22:05:10,048 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,049 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,050 | ^~~~~~~~~ 2026-05-26T22:05:10,051 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,052 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:10,053 | ^ 2026-05-26T22:05:10,054 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,056 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,057 | ^~~~~~~~~ 2026-05-26T22:05:10,067 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,077 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:10,077 | ^ 2026-05-26T22:05:10,078 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,079 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,080 | ^~~~~~~~~ 2026-05-26T22:05:10,081 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,082 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:10,083 | ^ 2026-05-26T22:05:10,083 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,084 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,085 | ^~~~~~~~~ 2026-05-26T22:05:10,087 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:05:10,088 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,089 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:10,090 | ^ 2026-05-26T22:05:10,091 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,092 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,093 | ^~~~~~~~~ 2026-05-26T22:05:10,094 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,095 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:10,096 | ^ 2026-05-26T22:05:10,097 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,098 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,099 | ^~~~~~~~~ 2026-05-26T22:05:10,100 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,101 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:10,102 | ^ 2026-05-26T22:05:10,117 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,117 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,118 | ^~~~~~~~~ 2026-05-26T22:05:10,119 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:10,120 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:10,121 | ^ 2026-05-26T22:05:10,122 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:10,123 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:10,124 | ^~~~~~~~~ 2026-05-26T22:05:11,640 [76/480] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o 2026-05-26T22:05:12,026 [77/480] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o 2026-05-26T22:05:12,027 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:05:12,029 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:05:12,030 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:05:12,031 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/obmolecformat.cpp:19: 2026-05-26T22:05:12,032 /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]’: 2026-05-26T22:05:12,033 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:12,035 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:12,036 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:12,037 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:05:12,039 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:05:12,040 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, 2026-05-26T22:05:12,041 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, 2026-05-26T22:05:12,043 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, 2026-05-26T22:05:12,047 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, 2026-05-26T22:05:12,051 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, 2026-05-26T22:05:12,052 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, 2026-05-26T22:05:12,053 inlined from ‘static bool OpenBabel::OBMoleculeFormat::ReadChemObjectImpl(OpenBabel::OBConversion*, OpenBabel::OBFormat*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/obmolecformat.cpp:73:16: 2026-05-26T22:05:12,054 /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 2026-05-26T22:05:12,055 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:12,055 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:16,502 [78/480] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o 2026-05-26T22:05:16,503 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:05:16,504 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/matrix3x3.cpp:22: 2026-05-26T22:05:16,505 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:16,506 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:16,507 281 | return ! ( (*this) == other ); 2026-05-26T22:05:16,508 | ^~~~~ 2026-05-26T22:05:16,509 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:16,510 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:16,511 | ^~~~~~~~ 2026-05-26T22:05:17,415 [79/480] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o 2026-05-26T22:05:21,496 [80/480] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o 2026-05-26T22:05:21,497 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:05:21,498 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:05:21,499 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/transform3d.cpp:21: 2026-05-26T22:05:21,500 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:21,501 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:21,502 281 | return ! ( (*this) == other ); 2026-05-26T22:05:21,503 | ^~~~~ 2026-05-26T22:05:21,504 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:21,505 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:21,506 | ^~~~~~~~ 2026-05-26T22:05:23,316 [81/480] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o 2026-05-26T22:05:23,317 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:23,318 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:22: 2026-05-26T22:05:23,319 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:23,320 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:23,320 281 | return ! ( (*this) == other ); 2026-05-26T22:05:23,321 | ^~~~~ 2026-05-26T22:05:23,322 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:23,323 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:23,324 | ^~~~~~~~ 2026-05-26T22:05:23,325 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:23, 2026-05-26T22:05:23,326 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotamer.h:26, 2026-05-26T22:05:23,327 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:25: 2026-05-26T22:05:23,328 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:05:23,328 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,329 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:23,330 | ^ 2026-05-26T22:05:23,331 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,332 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,333 | ^~~~~~~~~ 2026-05-26T22:05:23,333 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,334 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:23,335 | ^ 2026-05-26T22:05:23,336 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,337 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,338 | ^~~~~~~~~ 2026-05-26T22:05:23,339 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,340 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:23,341 | ^ 2026-05-26T22:05:23,342 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,343 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,344 | ^~~~~~~~~ 2026-05-26T22:05:23,345 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,347 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:23,347 | ^ 2026-05-26T22:05:23,348 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,349 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,349 | ^~~~~~~~~ 2026-05-26T22:05:23,367 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:05:23,367 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,368 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:23,369 | ^ 2026-05-26T22:05:23,370 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,371 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,372 | ^~~~~~~~~ 2026-05-26T22:05:23,372 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,373 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:23,374 | ^ 2026-05-26T22:05:23,375 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,376 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,377 | ^~~~~~~~~ 2026-05-26T22:05:23,378 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,379 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:23,380 | ^ 2026-05-26T22:05:23,381 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,382 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,383 | ^~~~~~~~~ 2026-05-26T22:05:23,384 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:23,385 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:23,386 | ^ 2026-05-26T22:05:23,387 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:23,387 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:23,388 | ^~~~~~~~~ 2026-05-26T22:05:23,389 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’: 2026-05-26T22:05:23,389 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:361:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 2026-05-26T22:05:23,390 361 | rl.SetFixAtoms(fixed); 2026-05-26T22:05:23,391 | ~~~~~~~~~~~~~~^~~~~~~ 2026-05-26T22:05:23,392 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:625:10: note: declared here 2026-05-26T22:05:23,393 625 | void SetFixAtoms(OBBitVec &fix) 2026-05-26T22:05:23,394 | ^~~~~~~~~~~ 2026-05-26T22:05:23,395 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:05:23,396 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:30: 2026-05-26T22:05:23,398 /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]’: 2026-05-26T22:05:23,399 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:23,400 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:23,401 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,402 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:05:23,403 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:23,404 inlined from ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:135:18: 2026-05-26T22:05:23,405 /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 2026-05-26T22:05:23,406 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,407 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,408 /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]’: 2026-05-26T22:05:23,409 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:23,417 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:23,418 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,419 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:23,420 inlined from ‘std::vector OpenBabel::GetHeavyAtomCoords(const OBMol*, const std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:284:27: 2026-05-26T22:05:23,422 /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 2026-05-26T22:05:23,423 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,424 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,425 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:23,425 inlined from ‘std::vector OpenBabel::OBDiversePoses::GetHeavyAtomCoords(const std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:269:29: 2026-05-26T22:05:23,426 /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 2026-05-26T22:05:23,427 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,428 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,429 /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> >]’: 2026-05-26T22:05:23,429 /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 2026-05-26T22:05:23,437 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:23,438 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,439 /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]’: 2026-05-26T22:05:23,440 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:23,441 /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> >]’: 2026-05-26T22:05:23,441 /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 2026-05-26T22:05:23,442 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:23,443 inlined from ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:209:36: 2026-05-26T22:05:23,444 /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 2026-05-26T22:05:23,445 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,446 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,447 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair >, double>}; _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’, 2026-05-26T22:05:23,448 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, 2026-05-26T22:05:23,449 inlined from ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:224:30: 2026-05-26T22:05:23,450 /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 2026-05-26T22:05:23,451 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:23,452 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,452 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:23,453 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, 2026-05-26T22:05:23,454 inlined from ‘bool OpenBabel::OBDiversePoses::AddPose(double*, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:151:24: 2026-05-26T22:05:23,455 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:23,456 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:23,457 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,458 /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]’: 2026-05-26T22:05:23,459 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:23,460 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:23,477 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,478 In file included from /usr/include/c++/12/algorithm:61, 2026-05-26T22:05:23,479 from /tmp/pip-build-env-01h0027h/overlay/local/lib/python3.11/dist-packages/cmeel.prefix/include/eigen3/Eigen/Core:95, 2026-05-26T22:05:23,479 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/align.h:26, 2026-05-26T22:05:23,480 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:27: 2026-05-26T22:05:23,482 /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>&)>]’: 2026-05-26T22:05:23,483 /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 2026-05-26T22:05:23,483 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-05-26T22:05:23,485 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,485 /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>&)>]’: 2026-05-26T22:05:23,486 /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 2026-05-26T22:05:23,487 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:05:23,488 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,489 /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 2026-05-26T22:05:23,489 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-05-26T22:05:23,490 /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>&)>]’: 2026-05-26T22:05:23,491 /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 2026-05-26T22:05:23,492 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-05-26T22:05:23,492 | ^~~~~~~~~~~~~ 2026-05-26T22:05:23,494 /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>&)>]’: 2026-05-26T22:05:23,495 /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 2026-05-26T22:05:23,496 340 | __make_heap(_RandomAccessIterator __first, _RandomAccessIterator __last, 2026-05-26T22:05:23,497 | ^~~~~~~~~~~ 2026-05-26T22:05:23,498 /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 2026-05-26T22:05:23,500 /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>&)>]’: 2026-05-26T22:05:23,517 /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 2026-05-26T22:05:23,518 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:05:23,519 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,520 /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 2026-05-26T22:05:23,521 /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 2026-05-26T22:05:23,522 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:05:23,523 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,524 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>&)>]’, 2026-05-26T22:05:23,525 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, 2026-05-26T22:05:23,526 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: 2026-05-26T22:05:23,527 /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 2026-05-26T22:05:23,528 1629 | std::__make_heap(__first, __middle, __comp); 2026-05-26T22:05:23,529 | ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,530 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’, 2026-05-26T22:05:23,531 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:298:22: 2026-05-26T22:05:23,532 /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 2026-05-26T22:05:23,533 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,534 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,535 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>&)>]’, 2026-05-26T22:05:23,536 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, 2026-05-26T22:05:23,537 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:301:7: 2026-05-26T22:05:23,538 /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 2026-05-26T22:05:23,538 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:05:23,539 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,540 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:05:23,541 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,541 1939 | __comp); 2026-05-26T22:05:23,542 | ~~~~~~~ 2026-05-26T22:05:23,543 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>&)>]’, 2026-05-26T22:05:23,544 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, 2026-05-26T22:05:23,545 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, 2026-05-26T22:05:23,545 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:301:7: 2026-05-26T22:05:23,557 /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 2026-05-26T22:05:23,558 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:05:23,559 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,560 /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 2026-05-26T22:05:23,561 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:05:23,562 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,562 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair, double>; _Alloc = std::allocator, double> >]’, 2026-05-26T22:05:23,563 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:313:25: 2026-05-26T22:05:23,564 /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 2026-05-26T22:05:23,565 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,566 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,567 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:23,568 inlined from ‘void OpenBabel::UpdateConformersFromTree(OBMol*, std::vector&, OBDiversePoses*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:321:23: 2026-05-26T22:05:23,569 /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 2026-05-26T22:05:23,570 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,571 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:23,572 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:23,573 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, 2026-05-26T22:05:23,587 inlined from ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:350:26: 2026-05-26T22:05:23,597 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:23,598 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:23,598 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:23,599 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:23,600 inlined from ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/confsearch.cpp:375:24: 2026-05-26T22:05:23,602 /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 2026-05-26T22:05:23,603 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:23,604 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:26,733 [82/480] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o 2026-05-26T22:05:26,733 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/vector3.cpp:26: 2026-05-26T22:05:26,734 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:26,735 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:26,736 281 | return ! ( (*this) == other ); 2026-05-26T22:05:26,737 | ^~~~~ 2026-05-26T22:05:26,738 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:26,739 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:26,740 | ^~~~~~~~ 2026-05-26T22:05:31,266 [83/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o 2026-05-26T22:05:31,800 [84/480] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o 2026-05-26T22:05:31,801 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:31,801 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:05:31,802 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:21: 2026-05-26T22:05:31,803 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:31,804 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:31,805 281 | return ! ( (*this) == other ); 2026-05-26T22:05:31,806 | ^~~~~ 2026-05-26T22:05:31,807 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:31,808 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:31,810 | ^~~~~~~~ 2026-05-26T22:05:31,811 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:05:31,812 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:05:31,813 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:22: 2026-05-26T22:05:31,814 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:05:31,815 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,816 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:31,817 | ^ 2026-05-26T22:05:31,818 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,819 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,820 | ^~~~~~~~~ 2026-05-26T22:05:31,822 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,823 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:31,824 | ^ 2026-05-26T22:05:31,825 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,826 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,827 | ^~~~~~~~~ 2026-05-26T22:05:31,828 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,829 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:31,830 | ^ 2026-05-26T22:05:31,831 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,832 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,833 | ^~~~~~~~~ 2026-05-26T22:05:31,833 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,834 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:31,835 | ^ 2026-05-26T22:05:31,836 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,837 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,838 | ^~~~~~~~~ 2026-05-26T22:05:31,839 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:05:31,840 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,841 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:31,842 | ^ 2026-05-26T22:05:31,843 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,844 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,844 | ^~~~~~~~~ 2026-05-26T22:05:31,845 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,846 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:31,847 | ^ 2026-05-26T22:05:31,848 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,849 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,850 | ^~~~~~~~~ 2026-05-26T22:05:31,851 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,852 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:31,853 | ^ 2026-05-26T22:05:31,854 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,867 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,867 | ^~~~~~~~~ 2026-05-26T22:05:31,868 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:31,869 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:31,870 | ^ 2026-05-26T22:05:31,871 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:31,872 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:31,873 | ^~~~~~~~~ 2026-05-26T22:05:31,874 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:05:31,875 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:05:31,876 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:20: 2026-05-26T22:05:31,877 /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 >]’: 2026-05-26T22:05:31,878 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:05:31,879 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:31,880 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,881 /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 >]’: 2026-05-26T22:05:31,882 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:05:31,883 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,884 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, 2026-05-26T22:05:31,885 inlined from ‘virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:1131:21: 2026-05-26T22:05:31,886 /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 2026-05-26T22:05:31,887 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:31,888 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,889 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,890 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, 2026-05-26T22:05:31,891 inlined from ‘virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:1132:21: 2026-05-26T22:05:31,892 /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 2026-05-26T22:05:31,893 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:31,893 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,894 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,895 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, 2026-05-26T22:05:31,896 inlined from ‘virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:1134:21: 2026-05-26T22:05:31,907 /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 2026-05-26T22:05:31,908 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:31,909 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,911 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,912 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, 2026-05-26T22:05:31,913 inlined from ‘virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:749:21: 2026-05-26T22:05:31,914 /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 2026-05-26T22:05:31,915 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:31,916 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,917 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,918 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, 2026-05-26T22:05:31,919 inlined from ‘virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:750:21: 2026-05-26T22:05:31,920 /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 2026-05-26T22:05:31,921 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:31,922 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,922 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,923 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, 2026-05-26T22:05:31,924 inlined from ‘virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:752:21: 2026-05-26T22:05:31,925 /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 2026-05-26T22:05:31,926 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:31,927 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,928 In file included from /usr/include/c++/12/algorithm:61, 2026-05-26T22:05:31,929 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:24: 2026-05-26T22:05:31,931 /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&)>]’: 2026-05-26T22:05:31,932 /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 2026-05-26T22:05:31,933 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:05:31,934 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,935 /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 2026-05-26T22:05:31,936 /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&)>]’: 2026-05-26T22:05:31,937 /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 2026-05-26T22:05:31,938 82 | __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b, 2026-05-26T22:05:31,939 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,940 /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 2026-05-26T22:05:31,941 /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 2026-05-26T22:05:31,942 /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 2026-05-26T22:05:31,943 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-05-26T22:05:31,944 /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&)>]’: 2026-05-26T22:05:31,944 /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 2026-05-26T22:05:31,945 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-05-26T22:05:31,946 | ^~~~~~~~~~~~~ 2026-05-26T22:05:31,947 /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&)>]’: 2026-05-26T22:05:31,948 /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 2026-05-26T22:05:31,949 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:05:31,950 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,952 /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 2026-05-26T22:05:31,952 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&)>]’, 2026-05-26T22:05:31,954 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: 2026-05-26T22:05:31,955 /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 2026-05-26T22:05:31,956 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-05-26T22:05:31,957 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,958 1888 | __comp); 2026-05-26T22:05:31,959 | ~~~~~~~ 2026-05-26T22:05:31,960 /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 2026-05-26T22:05:31,961 /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&)>]’: 2026-05-26T22:05:31,962 /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 2026-05-26T22:05:31,977 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:05:31,987 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,987 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:05:31,988 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:05:31,989 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:552:31: 2026-05-26T22:05:31,990 /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 2026-05-26T22:05:31,991 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:31,992 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:31,992 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&)>]’, 2026-05-26T22:05:31,993 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, 2026-05-26T22:05:31,994 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, 2026-05-26T22:05:31,995 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, 2026-05-26T22:05:31,996 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:554:9: 2026-05-26T22:05:31,997 /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 2026-05-26T22:05:31,997 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-05-26T22:05:31,998 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:31,999 1888 | __comp); 2026-05-26T22:05:32,000 | ~~~~~~~ 2026-05-26T22:05:32,001 /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 2026-05-26T22:05:32,002 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&)>]’, 2026-05-26T22:05:32,003 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, 2026-05-26T22:05:32,004 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, 2026-05-26T22:05:32,004 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:554:9: 2026-05-26T22:05:32,005 /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 2026-05-26T22:05:32,006 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:05:32,007 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:32,008 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&)>]’, 2026-05-26T22:05:32,009 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, 2026-05-26T22:05:32,010 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, 2026-05-26T22:05:32,011 inlined from ‘bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/depict/depict.cpp:554:9: 2026-05-26T22:05:32,017 /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 2026-05-26T22:05:32,027 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:05:32,027 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:32,028 /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 2026-05-26T22:05:32,029 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:05:32,030 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:33,893 [85/480] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o 2026-05-26T22:05:33,894 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:05:33,896 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:05:33,897 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:05:33,898 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/spacegroup.cpp:21: 2026-05-26T22:05:33,899 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:33,900 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:33,901 281 | return ! ( (*this) == other ); 2026-05-26T22:05:33,902 | ^~~~~ 2026-05-26T22:05:33,903 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:33,904 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:33,905 | ^~~~~~~~ 2026-05-26T22:05:34,532 [86/480] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o 2026-05-26T22:05:34,533 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:23, 2026-05-26T22:05:34,534 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/conformersearch.h:25, 2026-05-26T22:05:34,536 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:20: 2026-05-26T22:05:34,537 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:05:34,538 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,540 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:34,541 | ^ 2026-05-26T22:05:34,542 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,543 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,544 | ^~~~~~~~~ 2026-05-26T22:05:34,545 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,547 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:34,548 | ^ 2026-05-26T22:05:34,549 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,550 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,551 | ^~~~~~~~~ 2026-05-26T22:05:34,552 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,553 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:34,555 | ^ 2026-05-26T22:05:34,556 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,557 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,558 | ^~~~~~~~~ 2026-05-26T22:05:34,560 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,561 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:05:34,562 | ^ 2026-05-26T22:05:34,563 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,564 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,567 | ^~~~~~~~~ 2026-05-26T22:05:34,567 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:05:34,568 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,569 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:34,570 | ^ 2026-05-26T22:05:34,571 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,572 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,574 | ^~~~~~~~~ 2026-05-26T22:05:34,574 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,575 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:34,577 | ^ 2026-05-26T22:05:34,587 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,587 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,588 | ^~~~~~~~~ 2026-05-26T22:05:34,589 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,590 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:34,591 | ^ 2026-05-26T22:05:34,592 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,593 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,594 | ^~~~~~~~~ 2026-05-26T22:05:34,595 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:05:34,597 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:05:34,598 | ^ 2026-05-26T22:05:34,599 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:05:34,601 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:05:34,602 | ^~~~~~~~~ 2026-05-26T22:05:34,603 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:05:34,604 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:05:34,605 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:05:34,606 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:05:34,607 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotamer.h:27, 2026-05-26T22:05:34,608 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/conformersearch.h:26: 2026-05-26T22:05:34,609 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:34,610 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:34,611 281 | return ! ( (*this) == other ); 2026-05-26T22:05:34,613 | ^~~~~ 2026-05-26T22:05:34,613 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:34,614 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:34,615 | ^~~~~~~~ 2026-05-26T22:05:34,616 In file included from /usr/include/c++/12/algorithm:61, 2026-05-26T22:05:34,617 from /tmp/pip-build-env-01h0027h/overlay/local/lib/python3.11/dist-packages/cmeel.prefix/include/eigen3/Eigen/Core:95, 2026-05-26T22:05:34,618 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/align.h:26, 2026-05-26T22:05:34,619 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:21: 2026-05-26T22:05:34,620 /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]’: 2026-05-26T22:05:34,621 /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 2026-05-26T22:05:34,622 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-05-26T22:05:34,623 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,624 /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]’: 2026-05-26T22:05:34,625 /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 2026-05-26T22:05:34,626 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:05:34,627 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,628 /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 2026-05-26T22:05:34,629 /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]’: 2026-05-26T22:05:34,630 /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 2026-05-26T22:05:34,631 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-05-26T22:05:34,632 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,633 /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]’: 2026-05-26T22:05:34,634 /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 2026-05-26T22:05:34,635 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:05:34,636 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,637 /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 2026-05-26T22:05:34,638 In file included from /usr/include/c++/12/bits/stl_algo.h:60: 2026-05-26T22:05:34,639 /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]’: 2026-05-26T22:05:34,640 /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 2026-05-26T22:05:34,641 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-05-26T22:05:34,642 | ^~~~~~~~~~~~~ 2026-05-26T22:05:34,643 /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]’: 2026-05-26T22:05:34,644 /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 2026-05-26T22:05:34,645 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:05:34,646 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:05:34,647 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/conformersearch.h:24: 2026-05-26T22:05:34,648 /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]’: 2026-05-26T22:05:34,649 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:34,650 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:34,651 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,652 /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]’: 2026-05-26T22:05:34,653 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:34,667 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:34,668 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, 2026-05-26T22:05:34,669 inlined from ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:259:19: 2026-05-26T22:05:34,670 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:34,671 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,672 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,673 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:34,674 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, 2026-05-26T22:05:34,675 inlined from ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:272:21: 2026-05-26T22:05:34,676 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:34,676 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,677 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,678 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:34,679 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, 2026-05-26T22:05:34,680 inlined from ‘virtual double OpenBabel::OBRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:115:19: 2026-05-26T22:05:34,681 /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 2026-05-26T22:05:34,682 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,683 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,684 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:05:34,685 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, 2026-05-26T22:05:34,686 inlined from ‘virtual double OpenBabel::OBRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:128:21: 2026-05-26T22:05:34,687 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:34,688 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,689 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,690 /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]’: 2026-05-26T22:05:34,691 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:34,692 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:34,693 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,694 /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]’: 2026-05-26T22:05:34,695 /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 2026-05-26T22:05:34,696 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:05:34,697 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,698 /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 2026-05-26T22:05:34,698 /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 2026-05-26T22:05:34,699 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:05:34,700 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,701 /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]’: 2026-05-26T22:05:34,702 /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 2026-05-26T22:05:34,703 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:05:34,705 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,706 /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 2026-05-26T22:05:34,707 /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 2026-05-26T22:05:34,709 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:05:34,717 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,718 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’, 2026-05-26T22:05:34,719 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, 2026-05-26T22:05:34,719 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:549:33: 2026-05-26T22:05:34,720 /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 2026-05-26T22:05:34,721 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,722 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,723 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,724 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, 2026-05-26T22:05:34,725 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:558:16: 2026-05-26T22:05:34,725 /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 2026-05-26T22:05:34,726 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:05:34,727 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,729 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:05:34,730 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,731 1939 | __comp); 2026-05-26T22:05:34,732 | ~~~~~~~ 2026-05-26T22:05:34,733 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,734 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, 2026-05-26T22:05:34,736 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, 2026-05-26T22:05:34,737 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:558:16: 2026-05-26T22:05:34,738 /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 2026-05-26T22:05:34,739 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:05:34,740 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,740 /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 2026-05-26T22:05:34,741 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:05:34,743 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,744 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,744 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, 2026-05-26T22:05:34,745 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:560:16: 2026-05-26T22:05:34,746 /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 2026-05-26T22:05:34,747 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:05:34,748 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,749 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:05:34,750 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,751 1939 | __comp); 2026-05-26T22:05:34,752 | ~~~~~~~ 2026-05-26T22:05:34,753 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,754 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, 2026-05-26T22:05:34,755 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, 2026-05-26T22:05:34,756 inlined from ‘double OpenBabel::OBConformerSearch::MakeSelection()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:560:16: 2026-05-26T22:05:34,757 /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 2026-05-26T22:05:34,758 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:05:34,767 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,767 /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 2026-05-26T22:05:34,768 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:05:34,769 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,770 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator]’, 2026-05-26T22:05:34,772 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, 2026-05-26T22:05:34,773 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:978:35: 2026-05-26T22:05:34,774 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:34,775 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,776 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,777 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,777 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, 2026-05-26T22:05:34,778 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:987:16: 2026-05-26T22:05:34,779 /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 2026-05-26T22:05:34,780 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:05:34,781 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,782 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:05:34,783 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,784 1939 | __comp); 2026-05-26T22:05:34,785 | ~~~~~~~ 2026-05-26T22:05:34,786 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,787 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, 2026-05-26T22:05:34,788 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, 2026-05-26T22:05:34,789 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:987:16: 2026-05-26T22:05:34,790 /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 2026-05-26T22:05:34,791 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:05:34,792 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,793 /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 2026-05-26T22:05:34,794 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:05:34,795 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,796 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,797 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, 2026-05-26T22:05:34,797 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:989:16: 2026-05-26T22:05:34,798 /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 2026-05-26T22:05:34,799 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:05:34,800 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,801 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:05:34,802 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,803 1939 | __comp); 2026-05-26T22:05:34,804 | ~~~~~~~ 2026-05-26T22:05:34,805 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter]’, 2026-05-26T22:05:34,806 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, 2026-05-26T22:05:34,807 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, 2026-05-26T22:05:34,808 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:989:16: 2026-05-26T22:05:34,809 /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 2026-05-26T22:05:34,810 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:05:34,812 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,813 /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 2026-05-26T22:05:34,814 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:05:34,815 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,816 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:05:34,817 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:34,818 inlined from ‘int OpenBabel::OBConformerSearch::score_population()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:997:27: 2026-05-26T22:05:34,819 /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 2026-05-26T22:05:34,820 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:05:34,821 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:05:34,821 /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]’: 2026-05-26T22:05:34,822 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:05:34,823 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:05:34,824 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,825 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:34,826 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, 2026-05-26T22:05:34,837 inlined from ‘int OpenBabel::OBConformerSearch::share_fitness()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:1030:34: 2026-05-26T22:05:34,837 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:34,839 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,839 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,840 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:05:34,841 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, 2026-05-26T22:05:34,842 inlined from ‘int OpenBabel::OBConformerSearch::share_fitness()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/conformersearch.cpp:1033:34: 2026-05-26T22:05:34,843 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:05:34,844 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:05:34,845 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:34,846 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:05:34,847 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:46: 2026-05-26T22:05:34,848 /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> >]’: 2026-05-26T22:05:34,849 /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 2026-05-26T22:05:34,850 2209 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:05:34,851 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:05:35,981 [87/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o 2026-05-26T22:05:36,571 [88/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o 2026-05-26T22:05:42,713 [89/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o 2026-05-26T22:05:45,241 [90/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o 2026-05-26T22:05:47,674 [91/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o 2026-05-26T22:05:47,676 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:47,676 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/cistrans.cpp:3: 2026-05-26T22:05:47,677 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:47,678 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:47,679 281 | return ! ( (*this) == other ); 2026-05-26T22:05:47,680 | ^~~~~ 2026-05-26T22:05:47,681 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:47,682 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:47,683 | ^~~~~~~~ 2026-05-26T22:05:51,731 [92/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o 2026-05-26T22:05:51,732 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:51,733 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/facade.cpp:28: 2026-05-26T22:05:51,735 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:51,736 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:51,737 281 | return ! ( (*this) == other ); 2026-05-26T22:05:51,738 | ^~~~~ 2026-05-26T22:05:51,739 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:51,740 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:51,741 | ^~~~~~~~ 2026-05-26T22:05:53,111 [93/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o 2026-05-26T22:05:53,835 [94/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o 2026-05-26T22:05:53,837 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:05:53,838 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:05:53,839 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/gen3dstereohelper.cpp:31: 2026-05-26T22:05:53,840 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:05:53,841 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:05:53,842 281 | return ! ( (*this) == other ); 2026-05-26T22:05:53,843 | ^~~~~ 2026-05-26T22:05:53,844 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:05:53,845 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:05:53,846 | ^~~~~~~~ 2026-05-26T22:05:57,166 [95/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o 2026-05-26T22:06:01,694 [96/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o 2026-05-26T22:06:01,695 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/descriptors/filters.cpp:25: 2026-05-26T22:06:01,696 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:01,697 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,698 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:01,699 | ^ 2026-05-26T22:06:01,700 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,701 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,702 | ^~~~~~~~~ 2026-05-26T22:06:01,703 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,704 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:01,705 | ^ 2026-05-26T22:06:01,706 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,707 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,708 | ^~~~~~~~~ 2026-05-26T22:06:01,710 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,711 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:01,712 | ^ 2026-05-26T22:06:01,713 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,714 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,715 | ^~~~~~~~~ 2026-05-26T22:06:01,716 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,717 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:01,718 | ^ 2026-05-26T22:06:01,719 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,720 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,721 | ^~~~~~~~~ 2026-05-26T22:06:01,721 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:01,722 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,723 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:01,724 | ^ 2026-05-26T22:06:01,725 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,726 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,727 | ^~~~~~~~~ 2026-05-26T22:06:01,728 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,729 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:01,737 | ^ 2026-05-26T22:06:01,737 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,738 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,739 | ^~~~~~~~~ 2026-05-26T22:06:01,740 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,741 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:01,742 | ^ 2026-05-26T22:06:01,743 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,743 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,744 | ^~~~~~~~~ 2026-05-26T22:06:01,746 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:01,747 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:01,748 | ^ 2026-05-26T22:06:01,749 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:01,750 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:01,751 | ^~~~~~~~~ 2026-05-26T22:06:05,151 [97/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o 2026-05-26T22:06:05,152 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:05,153 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/descriptors/groupcontrib.cpp:29: 2026-05-26T22:06:05,154 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:05,154 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:05,155 281 | return ! ( (*this) == other ); 2026-05-26T22:06:05,156 | ^~~~~ 2026-05-26T22:06:05,157 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:05,158 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:05,159 | ^~~~~~~~ 2026-05-26T22:06:05,160 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/descriptors/groupcontrib.cpp:31: 2026-05-26T22:06:05,161 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:05,162 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,163 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:05,164 | ^ 2026-05-26T22:06:05,165 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,166 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,167 | ^~~~~~~~~ 2026-05-26T22:06:05,168 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,169 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:05,170 | ^ 2026-05-26T22:06:05,171 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,172 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,173 | ^~~~~~~~~ 2026-05-26T22:06:05,174 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,175 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:05,176 | ^ 2026-05-26T22:06:05,177 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,178 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,179 | ^~~~~~~~~ 2026-05-26T22:06:05,180 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,181 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:05,182 | ^ 2026-05-26T22:06:05,183 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,183 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,184 | ^~~~~~~~~ 2026-05-26T22:06:05,185 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:05,186 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,197 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:05,197 | ^ 2026-05-26T22:06:05,198 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,199 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,200 | ^~~~~~~~~ 2026-05-26T22:06:05,201 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,202 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:05,202 | ^ 2026-05-26T22:06:05,203 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,204 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,205 | ^~~~~~~~~ 2026-05-26T22:06:05,206 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,207 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:05,208 | ^ 2026-05-26T22:06:05,209 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,210 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,211 | ^~~~~~~~~ 2026-05-26T22:06:05,212 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:05,213 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:05,213 | ^ 2026-05-26T22:06:05,214 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:05,215 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:05,216 | ^~~~~~~~~ 2026-05-26T22:06:06,081 [98/480] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o 2026-05-26T22:06:06,082 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/align.h:23, 2026-05-26T22:06:06,083 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:24: 2026-05-26T22:06:06,084 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:06,085 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:06,087 281 | return ! ( (*this) == other ); 2026-05-26T22:06:06,088 | ^~~~~ 2026-05-26T22:06:06,089 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:06,090 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:06,091 | ^~~~~~~~ 2026-05-26T22:06:06,092 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:06,093 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:21: 2026-05-26T22:06:06,093 /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]’: 2026-05-26T22:06:06,094 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:06,096 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:06,097 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:06,098 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:06:06,099 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:06,100 inlined from ‘void OpenBabel::OBAlign::SetTargetMol(const OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:144:36: 2026-05-26T22:06:06,101 /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 2026-05-26T22:06:06,102 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:06,103 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:06,104 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:06,105 inlined from ‘void OpenBabel::OBAlign::SetRefMol(const OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:123:33: 2026-05-26T22:06:06,107 /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 2026-05-26T22:06:06,108 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:06,109 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:06,110 /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]’: 2026-05-26T22:06:06,111 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:06,112 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:06,113 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:06,114 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:06,115 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, 2026-05-26T22:06:06,116 inlined from ‘std::vector OpenBabel::OBAlign::GetAlignment()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:382:33: 2026-05-26T22:06:06,117 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:06,117 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:06,118 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:06,119 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:06,127 inlined from ‘std::vector OpenBabel::OBAlign::GetAlignment()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:388:32: 2026-05-26T22:06:06,129 /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 2026-05-26T22:06:06,130 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:06,131 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:06,132 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:06,133 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, 2026-05-26T22:06:06,135 inlined from ‘std::vector OpenBabel::OBAlign::GetAlignment()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/math/align.cpp:405:33: 2026-05-26T22:06:06,136 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:06,137 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:06,138 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:06,758 [99/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o 2026-05-26T22:06:07,285 [100/480] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o 2026-05-26T22:06:07,286 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/descriptors/smartsdescriptors.cpp:23: 2026-05-26T22:06:07,287 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:07,288 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,289 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:07,290 | ^ 2026-05-26T22:06:07,291 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,292 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,293 | ^~~~~~~~~ 2026-05-26T22:06:07,294 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,295 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:07,295 | ^ 2026-05-26T22:06:07,296 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,297 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,299 | ^~~~~~~~~ 2026-05-26T22:06:07,299 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,300 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:07,302 | ^ 2026-05-26T22:06:07,303 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,304 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,305 | ^~~~~~~~~ 2026-05-26T22:06:07,307 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,308 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:07,309 | ^ 2026-05-26T22:06:07,310 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,315 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,316 | ^~~~~~~~~ 2026-05-26T22:06:07,317 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:07,318 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,319 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:07,321 | ^ 2026-05-26T22:06:07,322 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,323 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,324 | ^~~~~~~~~ 2026-05-26T22:06:07,325 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,326 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:07,327 | ^ 2026-05-26T22:06:07,328 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,329 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,330 | ^~~~~~~~~ 2026-05-26T22:06:07,331 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,332 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:07,333 | ^ 2026-05-26T22:06:07,334 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,335 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,336 | ^~~~~~~~~ 2026-05-26T22:06:07,337 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:07,338 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:07,339 | ^ 2026-05-26T22:06:07,340 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:07,341 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:07,342 | ^~~~~~~~~ 2026-05-26T22:06:14,523 [101/480] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o 2026-05-26T22:06:14,524 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:14,525 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/fingerprints/finger2.cpp:22: 2026-05-26T22:06:14,527 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:14,528 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:14,529 281 | return ! ( (*this) == other ); 2026-05-26T22:06:14,530 | ^~~~~ 2026-05-26T22:06:14,531 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:14,532 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:14,533 | ^~~~~~~~ 2026-05-26T22:06:15,340 [102/480] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o 2026-05-26T22:06:15,341 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:15,342 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/fingerprints/fingerecfp.cpp:17: 2026-05-26T22:06:15,344 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:15,345 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:15,347 281 | return ! ( (*this) == other ); 2026-05-26T22:06:15,347 | ^~~~~ 2026-05-26T22:06:15,348 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:15,349 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:15,350 | ^~~~~~~~ 2026-05-26T22:06:18,640 [103/480] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o 2026-05-26T22:06:18,641 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:18,642 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:29: 2026-05-26T22:06:18,643 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:18,644 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:18,646 281 | return ! ( (*this) == other ); 2026-05-26T22:06:18,647 | ^~~~~ 2026-05-26T22:06:18,648 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:18,649 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:18,650 | ^~~~~~~~ 2026-05-26T22:06:18,651 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:06:18,652 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:06:18,653 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:31: 2026-05-26T22:06:18,654 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:18,655 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,656 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:18,657 | ^ 2026-05-26T22:06:18,658 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,659 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,660 | ^~~~~~~~~ 2026-05-26T22:06:18,661 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,662 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:18,663 | ^ 2026-05-26T22:06:18,664 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,665 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,666 | ^~~~~~~~~ 2026-05-26T22:06:18,667 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,668 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:18,668 | ^ 2026-05-26T22:06:18,670 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,671 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,672 | ^~~~~~~~~ 2026-05-26T22:06:18,673 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,674 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:18,675 | ^ 2026-05-26T22:06:18,676 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,677 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,678 | ^~~~~~~~~ 2026-05-26T22:06:18,679 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:18,680 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,682 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:18,687 | ^ 2026-05-26T22:06:18,688 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,689 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,690 | ^~~~~~~~~ 2026-05-26T22:06:18,691 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,694 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:18,695 | ^ 2026-05-26T22:06:18,696 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,697 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,698 | ^~~~~~~~~ 2026-05-26T22:06:18,699 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,706 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:18,707 | ^ 2026-05-26T22:06:18,708 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,709 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,710 | ^~~~~~~~~ 2026-05-26T22:06:18,711 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:18,712 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:18,713 | ^ 2026-05-26T22:06:18,714 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:18,715 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:18,716 | ^~~~~~~~~ 2026-05-26T22:06:18,717 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:18,718 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/base.h:25, 2026-05-26T22:06:18,719 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:27, 2026-05-26T22:06:18,720 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/tetranonplanar.h:27, 2026-05-26T22:06:18,721 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/tetrahedral.h:27, 2026-05-26T22:06:18,722 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:26: 2026-05-26T22:06:18,724 /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]’: 2026-05-26T22:06:18,725 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:18,726 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:18,727 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,728 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:06:18,729 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,730 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2702:27: 2026-05-26T22:06:18,731 /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 2026-05-26T22:06:18,732 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,733 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,734 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,735 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2716:27: 2026-05-26T22:06:18,736 /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 2026-05-26T22:06:18,737 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,738 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,740 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,741 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2724:27: 2026-05-26T22:06:18,742 /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 2026-05-26T22:06:18,743 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,745 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,746 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,757 inlined from ‘std::vector OpenBabel::CisTransFrom2D(OBMol*, const OBStereoUnitSet&, const std::map*, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2738:27: 2026-05-26T22:06:18,758 /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 2026-05-26T22:06:18,759 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,760 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,761 /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]’: 2026-05-26T22:06:18,762 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:18,763 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:18,765 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,766 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,767 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, 2026-05-26T22:06:18,768 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2147:28: 2026-05-26T22:06:18,769 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,770 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,771 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,772 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,773 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2149:28: 2026-05-26T22:06:18,774 /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 2026-05-26T22:06:18,775 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,776 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,777 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,778 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, 2026-05-26T22:06:18,779 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2153:30: 2026-05-26T22:06:18,780 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,782 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,783 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,784 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,785 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2155:30: 2026-05-26T22:06:18,785 /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 2026-05-26T22:06:18,786 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,787 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,789 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,790 inlined from ‘std::vector OpenBabel::TetrahedralFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2180:28: 2026-05-26T22:06:18,791 /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 2026-05-26T22:06:18,792 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:18,793 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:18,794 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,795 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, 2026-05-26T22:06:18,796 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2229:29: 2026-05-26T22:06:18,798 /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 2026-05-26T22:06:18,799 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,800 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,801 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,802 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, 2026-05-26T22:06:18,804 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2231:29: 2026-05-26T22:06:18,805 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,806 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,807 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,808 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,809 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, 2026-05-26T22:06:18,810 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2239:29: 2026-05-26T22:06:18,811 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,812 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,827 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,828 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,829 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, 2026-05-26T22:06:18,830 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2241:29: 2026-05-26T22:06:18,830 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,831 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,832 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,833 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,834 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, 2026-05-26T22:06:18,835 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2253:29: 2026-05-26T22:06:18,836 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,838 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,838 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,839 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,840 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, 2026-05-26T22:06:18,842 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2255:29: 2026-05-26T22:06:18,843 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,844 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,845 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,846 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,847 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, 2026-05-26T22:06:18,848 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2262:29: 2026-05-26T22:06:18,850 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,851 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,852 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:18,852 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:18,853 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, 2026-05-26T22:06:18,854 inlined from ‘std::vector OpenBabel::CisTransFrom3D(OBMol*, const OBStereoUnitSet&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/stereo/perception.cpp:2264:29: 2026-05-26T22:06:18,855 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:18,856 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:18,857 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:19,558 [104/480] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o 2026-05-26T22:06:19,559 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/fingerprints/finger3.cpp:20: 2026-05-26T22:06:19,560 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:19,561 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,562 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:19,563 | ^ 2026-05-26T22:06:19,564 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,565 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,566 | ^~~~~~~~~ 2026-05-26T22:06:19,567 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,568 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:19,569 | ^ 2026-05-26T22:06:19,570 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,571 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,572 | ^~~~~~~~~ 2026-05-26T22:06:19,573 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,574 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:19,575 | ^ 2026-05-26T22:06:19,576 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,578 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,579 | ^~~~~~~~~ 2026-05-26T22:06:19,580 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,581 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:19,581 | ^ 2026-05-26T22:06:19,582 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,583 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,584 | ^~~~~~~~~ 2026-05-26T22:06:19,585 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:19,586 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,587 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:19,588 | ^ 2026-05-26T22:06:19,589 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,590 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,591 | ^~~~~~~~~ 2026-05-26T22:06:19,592 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,593 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:19,594 | ^ 2026-05-26T22:06:19,595 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,596 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,597 | ^~~~~~~~~ 2026-05-26T22:06:19,598 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,599 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:19,600 | ^ 2026-05-26T22:06:19,601 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,602 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,603 | ^~~~~~~~~ 2026-05-26T22:06:19,604 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:19,607 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:19,608 | ^ 2026-05-26T22:06:19,609 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:19,617 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:19,618 | ^~~~~~~~~ 2026-05-26T22:06:24,731 [105/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o 2026-05-26T22:06:29,956 [106/480] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o 2026-05-26T22:06:29,956 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:29,957 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/distgeom.cpp:24: 2026-05-26T22:06:29,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:29,959 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:29,960 281 | return ! ( (*this) == other ); 2026-05-26T22:06:29,961 | ^~~~~ 2026-05-26T22:06:29,962 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:29,963 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:29,965 | ^~~~~~~~ 2026-05-26T22:06:29,966 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:06:29,967 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:06:29,968 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/distgeom.cpp:26: 2026-05-26T22:06:29,969 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:29,970 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:29,971 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:29,972 | ^ 2026-05-26T22:06:29,973 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:29,974 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:29,975 | ^~~~~~~~~ 2026-05-26T22:06:29,976 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:29,977 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:29,978 | ^ 2026-05-26T22:06:29,979 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:29,980 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:29,981 | ^~~~~~~~~ 2026-05-26T22:06:29,982 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:29,983 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:29,984 | ^ 2026-05-26T22:06:29,985 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:29,986 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:29,987 | ^~~~~~~~~ 2026-05-26T22:06:29,988 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:29,989 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:29,990 | ^ 2026-05-26T22:06:29,991 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:29,991 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:29,992 | ^~~~~~~~~ 2026-05-26T22:06:29,993 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:29,994 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:29,995 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:29,996 | ^ 2026-05-26T22:06:29,997 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:29,998 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:29,999 | ^~~~~~~~~ 2026-05-26T22:06:30,000 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:30,001 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:30,002 | ^ 2026-05-26T22:06:30,003 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:30,004 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:30,005 | ^~~~~~~~~ 2026-05-26T22:06:30,006 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:30,007 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:30,008 | ^ 2026-05-26T22:06:30,009 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:30,017 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:30,017 | ^~~~~~~~~ 2026-05-26T22:06:30,018 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:30,019 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:30,020 | ^ 2026-05-26T22:06:30,021 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:30,022 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:30,022 | ^~~~~~~~~ 2026-05-26T22:06:30,023 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:30,024 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:06:30,025 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/distgeom.h:24, 2026-05-26T22:06:30,026 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/distgeom.cpp:22: 2026-05-26T22:06:30,027 /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]’: 2026-05-26T22:06:30,028 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:30,029 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:30,030 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:30,031 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:06:30,032 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’, 2026-05-26T22:06:30,033 inlined from ‘bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/distgeom.cpp:226:28: 2026-05-26T22:06:30,033 /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 2026-05-26T22:06:30,034 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:30,035 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:30,036 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’, 2026-05-26T22:06:30,037 inlined from ‘bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/distgeom.cpp:229:28: 2026-05-26T22:06:30,038 /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 2026-05-26T22:06:30,040 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:30,040 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:30,041 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator]’, 2026-05-26T22:06:30,042 inlined from ‘bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/distgeom.cpp:251:30: 2026-05-26T22:06:30,043 /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 2026-05-26T22:06:30,044 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:30,045 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:30,276 [107/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o 2026-05-26T22:06:31,477 [108/480] Linking CXX shared library lib/libopenbabel.so.8.0.0 2026-05-26T22:06:31,604 [109/480] Creating library symlink lib/libopenbabel.so.8 lib/libopenbabel.so 2026-05-26T22:06:32,246 [110/480] Linking CXX shared module lib/plugin_descriptors.so 2026-05-26T22:06:32,970 [111/480] Linking CXX shared module lib/plugin_fingerprints.so 2026-05-26T22:06:35,753 [112/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o 2026-05-26T22:06:38,032 [113/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o 2026-05-26T22:06:45,983 [114/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o 2026-05-26T22:06:45,983 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:45,984 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:26, 2026-05-26T22:06:45,985 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/canonical.cpp:21: 2026-05-26T22:06:45,986 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:45,987 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:45,988 281 | return ! ( (*this) == other ); 2026-05-26T22:06:45,989 | ^~~~~ 2026-05-26T22:06:45,990 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:45,991 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:45,992 | ^~~~~~~~ 2026-05-26T22:06:46,044 [115/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o 2026-05-26T22:06:46,045 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:46,046 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:06:46,047 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:22: 2026-05-26T22:06:46,048 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:46,049 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:46,051 281 | return ! ( (*this) == other ); 2026-05-26T22:06:46,051 | ^~~~~ 2026-05-26T22:06:46,052 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:46,053 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:46,054 | ^~~~~~~~ 2026-05-26T22:06:46,055 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:26: 2026-05-26T22:06:46,056 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:46,057 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,058 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,059 | ^ 2026-05-26T22:06:46,059 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,060 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,061 | ^~~~~~~~~ 2026-05-26T22:06:46,062 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,063 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,064 | ^ 2026-05-26T22:06:46,065 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,066 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,067 | ^~~~~~~~~ 2026-05-26T22:06:46,068 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,077 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,087 | ^ 2026-05-26T22:06:46,087 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,088 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,089 | ^~~~~~~~~ 2026-05-26T22:06:46,090 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,091 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,092 | ^ 2026-05-26T22:06:46,093 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,094 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,095 | ^~~~~~~~~ 2026-05-26T22:06:46,096 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:46,097 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,097 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,098 | ^ 2026-05-26T22:06:46,099 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,100 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,101 | ^~~~~~~~~ 2026-05-26T22:06:46,101 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,102 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,103 | ^ 2026-05-26T22:06:46,104 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,105 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,106 | ^~~~~~~~~ 2026-05-26T22:06:46,107 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,117 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,127 | ^ 2026-05-26T22:06:46,127 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,129 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,130 | ^~~~~~~~~ 2026-05-26T22:06:46,131 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,132 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,133 | ^ 2026-05-26T22:06:46,134 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,135 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,136 | ^~~~~~~~~ 2026-05-26T22:06:46,137 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:46,138 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:06:46,139 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:21: 2026-05-26T22:06:46,141 /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]’: 2026-05-26T22:06:46,141 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,142 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:46,143 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,144 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationGaff&}; _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator]’: 2026-05-26T22:06:46,145 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,146 /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]’: 2026-05-26T22:06:46,147 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,157 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:06:46,158 /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]’: 2026-05-26T22:06:46,159 /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 2026-05-26T22:06:46,160 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,162 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,163 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationGaff&}; _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’: 2026-05-26T22:06:46,164 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,165 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:46,166 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,167 /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]’: 2026-05-26T22:06:46,170 /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 2026-05-26T22:06:46,171 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,172 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,173 /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]’: 2026-05-26T22:06:46,174 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,176 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:46,187 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,189 /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]’: 2026-05-26T22:06:46,190 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,191 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,192 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:573:40: 2026-05-26T22:06:46,194 /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 2026-05-26T22:06:46,195 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,196 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,197 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,199 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:588:34: 2026-05-26T22:06:46,200 /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 2026-05-26T22:06:46,202 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,203 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,204 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,207 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:638:43: 2026-05-26T22:06:46,208 /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 2026-05-26T22:06:46,209 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,210 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,211 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,212 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:654:35: 2026-05-26T22:06:46,213 /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 2026-05-26T22:06:46,215 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,216 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,217 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,218 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:725:37: 2026-05-26T22:06:46,219 /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 2026-05-26T22:06:46,219 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,220 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,221 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,223 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:786:28: 2026-05-26T22:06:46,224 /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 2026-05-26T22:06:46,227 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,228 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,230 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,231 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:800:28: 2026-05-26T22:06:46,232 /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 2026-05-26T22:06:46,234 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,235 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,236 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,237 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:814:28: 2026-05-26T22:06:46,238 /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 2026-05-26T22:06:46,239 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,240 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,245 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,246 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:828:28: 2026-05-26T22:06:46,247 /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 2026-05-26T22:06:46,249 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,250 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,250 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,251 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:842:28: 2026-05-26T22:06:46,253 /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 2026-05-26T22:06:46,254 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,255 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,257 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,258 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:856:28: 2026-05-26T22:06:46,258 /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 2026-05-26T22:06:46,259 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,261 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,262 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,270 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:870:28: 2026-05-26T22:06:46,271 /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 2026-05-26T22:06:46,272 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,273 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,274 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,275 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1004:33: 2026-05-26T22:06:46,276 /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 2026-05-26T22:06:46,277 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,278 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,279 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationGaff; _Alloc = std::allocator]’, 2026-05-26T22:06:46,280 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1055:45: 2026-05-26T22:06:46,281 /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 2026-05-26T22:06:46,281 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:46,282 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:46,283 /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]’: 2026-05-26T22:06:46,284 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:46,285 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:46,286 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,287 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,288 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, 2026-05-26T22:06:46,289 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1100:34: 2026-05-26T22:06:46,289 /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 2026-05-26T22:06:46,290 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,291 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,293 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,294 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, 2026-05-26T22:06:46,295 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1101:34: 2026-05-26T22:06:46,296 /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 2026-05-26T22:06:46,297 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,299 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,299 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,301 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, 2026-05-26T22:06:46,302 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1113:34: 2026-05-26T22:06:46,304 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,305 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,306 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,307 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,309 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, 2026-05-26T22:06:46,310 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1114:34: 2026-05-26T22:06:46,312 /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 2026-05-26T22:06:46,313 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,314 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,315 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,318 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, 2026-05-26T22:06:46,324 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1126:34: 2026-05-26T22:06:46,325 /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 2026-05-26T22:06:46,327 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,327 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,328 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,329 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, 2026-05-26T22:06:46,330 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1127:34: 2026-05-26T22:06:46,332 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,333 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,334 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,335 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,336 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, 2026-05-26T22:06:46,338 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1143:34: 2026-05-26T22:06:46,339 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,340 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,341 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,342 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,343 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, 2026-05-26T22:06:46,344 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1144:34: 2026-05-26T22:06:46,345 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,346 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,348 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,349 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,350 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, 2026-05-26T22:06:46,351 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1145:34: 2026-05-26T22:06:46,352 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,353 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,354 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,355 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,356 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, 2026-05-26T22:06:46,357 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1170:34: 2026-05-26T22:06:46,357 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,358 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,359 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,361 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,362 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, 2026-05-26T22:06:46,363 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1171:34: 2026-05-26T22:06:46,364 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,365 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,366 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,367 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,369 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, 2026-05-26T22:06:46,369 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1172:34: 2026-05-26T22:06:46,370 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,371 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,373 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,374 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,376 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, 2026-05-26T22:06:46,377 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1183:34: 2026-05-26T22:06:46,378 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,384 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,385 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,386 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,387 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, 2026-05-26T22:06:46,390 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1184:34: 2026-05-26T22:06:46,390 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,391 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,392 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,393 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,394 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, 2026-05-26T22:06:46,396 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1202:34: 2026-05-26T22:06:46,397 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,398 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,399 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,400 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:46,401 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, 2026-05-26T22:06:46,402 inlined from ‘virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldgaff.cpp:1203:34: 2026-05-26T22:06:46,402 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:46,404 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:46,406 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:46,912 [116/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o 2026-05-26T22:06:46,913 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:46,915 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:06:46,916 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.h:23, 2026-05-26T22:06:46,917 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:23: 2026-05-26T22:06:46,918 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:46,919 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:46,920 281 | return ! ( (*this) == other ); 2026-05-26T22:06:46,921 | ^~~~~ 2026-05-26T22:06:46,922 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:46,923 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:46,924 | ^~~~~~~~ 2026-05-26T22:06:46,925 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:27: 2026-05-26T22:06:46,926 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:46,927 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,928 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,929 | ^ 2026-05-26T22:06:46,930 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,931 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,932 | ^~~~~~~~~ 2026-05-26T22:06:46,933 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,934 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,935 | ^ 2026-05-26T22:06:46,936 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,937 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,938 | ^~~~~~~~~ 2026-05-26T22:06:46,939 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,940 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,941 | ^ 2026-05-26T22:06:46,942 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,942 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,943 | ^~~~~~~~~ 2026-05-26T22:06:46,944 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,945 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:46,946 | ^ 2026-05-26T22:06:46,947 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,948 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,949 | ^~~~~~~~~ 2026-05-26T22:06:46,957 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:46,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,959 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,960 | ^ 2026-05-26T22:06:46,961 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,962 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,963 | ^~~~~~~~~ 2026-05-26T22:06:46,964 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,965 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,966 | ^ 2026-05-26T22:06:46,967 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,968 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,969 | ^~~~~~~~~ 2026-05-26T22:06:46,972 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,973 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,974 | ^ 2026-05-26T22:06:46,987 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,988 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:46,989 | ^~~~~~~~~ 2026-05-26T22:06:46,990 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:46,997 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:46,997 | ^ 2026-05-26T22:06:46,998 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:46,999 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:47,000 | ^~~~~~~~~ 2026-05-26T22:06:47,001 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:47,002 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:06:47,003 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:20: 2026-05-26T22:06:47,004 /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]’: 2026-05-26T22:06:47,005 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:47,006 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:47,007 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,008 /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]’: 2026-05-26T22:06:47,009 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:47,010 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:06:47,011 /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]’: 2026-05-26T22:06:47,011 /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 2026-05-26T22:06:47,012 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,013 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,014 /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]’: 2026-05-26T22:06:47,015 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:47,016 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:47,017 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,018 /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]’: 2026-05-26T22:06:47,019 /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 2026-05-26T22:06:47,019 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,020 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,021 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationGhemical&}; _Tp = OpenBabel::OBFFVDWCalculationGhemical; _Alloc = std::allocator]’: 2026-05-26T22:06:47,022 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:47,023 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:47,024 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,025 /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]’: 2026-05-26T22:06:47,026 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:47,027 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGhemical; _Alloc = std::allocator]’, 2026-05-26T22:06:47,028 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:478:40: 2026-05-26T22:06:47,029 /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 2026-05-26T22:06:47,030 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,031 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,032 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationGhemical; _Alloc = std::allocator]’, 2026-05-26T22:06:47,033 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:493:34: 2026-05-26T22:06:47,034 /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 2026-05-26T22:06:47,035 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,036 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,037 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationGhemical; _Alloc = std::allocator]’, 2026-05-26T22:06:47,038 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:562:35: 2026-05-26T22:06:47,047 /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 2026-05-26T22:06:47,047 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,048 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,049 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGhemical; _Alloc = std::allocator]’, 2026-05-26T22:06:47,050 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:683:37: 2026-05-26T22:06:47,050 /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 2026-05-26T22:06:47,051 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,052 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,053 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationGhemical; _Alloc = std::allocator]’, 2026-05-26T22:06:47,054 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:787:33: 2026-05-26T22:06:47,055 /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 2026-05-26T22:06:47,056 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,057 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,058 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationGhemical; _Alloc = std::allocator]’, 2026-05-26T22:06:47,059 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:838:45: 2026-05-26T22:06:47,060 /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 2026-05-26T22:06:47,061 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:47,062 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:47,063 /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]’: 2026-05-26T22:06:47,064 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:47,065 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:47,066 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,066 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,067 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, 2026-05-26T22:06:47,069 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:886:34: 2026-05-26T22:06:47,069 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,070 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,071 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,073 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,074 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, 2026-05-26T22:06:47,075 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:887:34: 2026-05-26T22:06:47,076 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,077 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,077 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,087 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,088 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, 2026-05-26T22:06:47,089 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:904:34: 2026-05-26T22:06:47,090 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,091 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,091 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,092 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,093 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, 2026-05-26T22:06:47,094 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:905:34: 2026-05-26T22:06:47,095 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,096 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,097 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,098 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,099 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, 2026-05-26T22:06:47,100 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:936:34: 2026-05-26T22:06:47,101 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,101 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,102 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,103 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,104 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, 2026-05-26T22:06:47,105 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:937:34: 2026-05-26T22:06:47,106 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,107 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,108 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,109 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:47,110 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, 2026-05-26T22:06:47,111 inlined from ‘virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldghemical.cpp:949:34: 2026-05-26T22:06:47,111 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:47,112 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:47,113 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:47,511 [117/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o 2026-05-26T22:06:47,512 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:06:47,513 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:06:47,514 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:06:47,515 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:06:47,516 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/changecell.cpp:23: 2026-05-26T22:06:47,517 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:47,518 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:47,519 281 | return ! ( (*this) == other ); 2026-05-26T22:06:47,520 | ^~~~~ 2026-05-26T22:06:47,520 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:47,521 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:47,522 | ^~~~~~~~ 2026-05-26T22:06:51,145 [118/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o 2026-05-26T22:06:53,013 [119/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o 2026-05-26T22:06:54,323 [120/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o 2026-05-26T22:06:56,757 [121/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o 2026-05-26T22:06:56,757 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:56,758 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:24: 2026-05-26T22:06:56,759 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:56,760 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:56,761 281 | return ! ( (*this) == other ); 2026-05-26T22:06:56,762 | ^~~~~ 2026-05-26T22:06:56,763 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:56,764 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:56,765 | ^~~~~~~~ 2026-05-26T22:06:56,766 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:28: 2026-05-26T22:06:56,767 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:06:56,768 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,769 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:56,770 | ^ 2026-05-26T22:06:56,772 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,773 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,774 | ^~~~~~~~~ 2026-05-26T22:06:56,775 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,776 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:56,777 | ^ 2026-05-26T22:06:56,778 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,779 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,787 | ^~~~~~~~~ 2026-05-26T22:06:56,788 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,789 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:56,789 | ^ 2026-05-26T22:06:56,790 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,791 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,792 | ^~~~~~~~~ 2026-05-26T22:06:56,793 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,794 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:06:56,795 | ^ 2026-05-26T22:06:56,797 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,798 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,799 | ^~~~~~~~~ 2026-05-26T22:06:56,800 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:06:56,801 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,802 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:56,804 | ^ 2026-05-26T22:06:56,805 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,806 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,807 | ^~~~~~~~~ 2026-05-26T22:06:56,808 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,810 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:56,811 | ^ 2026-05-26T22:06:56,812 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,813 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,814 | ^~~~~~~~~ 2026-05-26T22:06:56,816 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,818 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:56,819 | ^ 2026-05-26T22:06:56,820 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,821 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,822 | ^~~~~~~~~ 2026-05-26T22:06:56,823 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,824 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:06:56,825 | ^ 2026-05-26T22:06:56,827 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:06:56,828 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:06:56,829 | ^~~~~~~~~ 2026-05-26T22:06:56,830 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp: In member function ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute()’: 2026-05-26T22:06:56,831 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,833 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-05-26T22:06:56,834 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-05-26T22:06:56,835 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.h:24, 2026-05-26T22:06:56,836 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:33: 2026-05-26T22:06:56,837 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1569:19: note: declared here 2026-05-26T22:06:56,838 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-05-26T22:06:56,839 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,840 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute() [with bool = true]’: 2026-05-26T22:06:56,841 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:556:37: required from ‘double OpenBabel::OBForceFieldUFF::E_Electrostatic() [with bool = true]’ 2026-05-26T22:06:56,842 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.h:199:47: required from here 2026-05-26T22:06:56,843 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,844 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-05-26T22:06:56,845 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-05-26T22:06:56,846 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1569:19: note: declared here 2026-05-26T22:06:56,847 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-05-26T22:06:56,849 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,850 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,851 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-05-26T22:06:56,853 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-05-26T22:06:56,854 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1569:19: note: declared here 2026-05-26T22:06:56,855 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-05-26T22:06:56,856 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,857 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute() [with bool = false]’: 2026-05-26T22:06:56,858 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:556:37: required from ‘double OpenBabel::OBForceFieldUFF::E_Electrostatic() [with bool = false]’ 2026-05-26T22:06:56,859 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.h:199:74: required from here 2026-05-26T22:06:56,860 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,861 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-05-26T22:06:56,862 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-05-26T22:06:56,863 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1569:19: note: declared here 2026-05-26T22:06:56,864 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-05-26T22:06:56,865 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,866 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:06:56,868 516 | rab = OBForceField::VectorLengthDerivative(da, db); 2026-05-26T22:06:56,869 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ 2026-05-26T22:06:56,870 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:1569:19: note: declared here 2026-05-26T22:06:56,871 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); 2026-05-26T22:06:56,872 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,873 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:56,874 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:06:56,875 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:21: 2026-05-26T22:06:56,875 /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]’: 2026-05-26T22:06:56,876 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,878 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:56,878 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,880 /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]’: 2026-05-26T22:06:56,880 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,882 /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]’: 2026-05-26T22:06:56,883 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,884 /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]’: 2026-05-26T22:06:56,884 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,885 /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]’: 2026-05-26T22:06:56,887 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,888 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:06:56,889 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,890 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:970:34: 2026-05-26T22:06:56,891 /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 2026-05-26T22:06:56,892 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,894 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,894 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,896 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1042:37: 2026-05-26T22:06:56,897 /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 2026-05-26T22:06:56,898 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,899 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,900 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,901 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1190:35: 2026-05-26T22:06:56,901 /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 2026-05-26T22:06:56,902 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,903 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,904 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,905 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1341:37: 2026-05-26T22:06:56,905 /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 2026-05-26T22:06:56,907 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,908 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,909 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,910 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1463:33: 2026-05-26T22:06:56,911 /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 2026-05-26T22:06:56,912 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,914 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,915 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,916 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1470:33: 2026-05-26T22:06:56,918 /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 2026-05-26T22:06:56,919 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,919 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,920 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,922 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1478:33: 2026-05-26T22:06:56,923 /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 2026-05-26T22:06:56,924 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,925 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,926 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,927 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1522:35: 2026-05-26T22:06:56,928 /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 2026-05-26T22:06:56,929 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,930 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,931 /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]’: 2026-05-26T22:06:56,932 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,933 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:56,934 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,935 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationUFF; _Alloc = std::allocator]’, 2026-05-26T22:06:56,936 inlined from ‘bool OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1594:45: 2026-05-26T22:06:56,937 /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 2026-05-26T22:06:56,938 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:06:56,939 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:06:56,940 /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]’: 2026-05-26T22:06:56,941 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:56,942 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:56,943 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,944 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,945 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, 2026-05-26T22:06:56,946 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1644:34: 2026-05-26T22:06:56,947 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:56,948 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,949 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,950 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,951 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, 2026-05-26T22:06:56,952 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1645:34: 2026-05-26T22:06:56,952 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:56,953 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,954 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,955 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,956 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, 2026-05-26T22:06:56,957 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1646:34: 2026-05-26T22:06:56,958 /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 2026-05-26T22:06:56,958 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,960 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,961 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,962 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, 2026-05-26T22:06:56,963 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1647:34: 2026-05-26T22:06:56,964 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:56,966 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,967 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,968 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,969 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, 2026-05-26T22:06:56,970 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1648:34: 2026-05-26T22:06:56,970 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:56,972 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,973 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,974 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,975 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, 2026-05-26T22:06:56,976 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1649:34: 2026-05-26T22:06:56,977 /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 2026-05-26T22:06:56,978 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,979 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,980 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,980 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, 2026-05-26T22:06:56,981 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1650:34: 2026-05-26T22:06:56,982 /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 2026-05-26T22:06:56,983 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,984 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,985 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,986 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, 2026-05-26T22:06:56,987 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1651:34: 2026-05-26T22:06:56,988 /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 2026-05-26T22:06:56,990 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,991 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,992 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:56,993 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, 2026-05-26T22:06:56,994 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1652:34: 2026-05-26T22:06:56,995 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:56,996 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:56,997 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:56,998 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:57,000 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, 2026-05-26T22:06:57,001 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1653:34: 2026-05-26T22:06:57,001 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:57,002 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:57,003 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:57,004 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:06:57,005 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, 2026-05-26T22:06:57,006 inlined from ‘virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefielduff.cpp:1654:34: 2026-05-26T22:06:57,007 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:57,008 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:57,009 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:58,703 [122/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o 2026-05-26T22:06:58,705 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:06:58,706 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/fillUC.cpp:22: 2026-05-26T22:06:58,707 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:06:58,708 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:06:58,709 281 | return ! ( (*this) == other ); 2026-05-26T22:06:58,710 | ^~~~~ 2026-05-26T22:06:58,711 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:06:58,712 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:06:58,713 | ^~~~~~~~ 2026-05-26T22:06:58,714 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:06:58,715 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:06:58,716 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:06:58,717 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/op.h:25, 2026-05-26T22:06:58,718 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/fillUC.cpp:20: 2026-05-26T22:06:58,719 /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]’: 2026-05-26T22:06:58,720 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:06:58,721 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:06:58,722 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:06:58,723 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:06:58,724 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, 2026-05-26T22:06:58,725 inlined from ‘virtual bool OpenBabel::OpFillUC::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/fillUC.cpp:179:30: 2026-05-26T22:06:58,726 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:06:58,727 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:06:58,728 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:03,010 [123/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o 2026-05-26T22:07:03,011 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:03,012 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:07:03,013 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/forcefield.cpp:33: 2026-05-26T22:07:03,014 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:03,015 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:03,016 281 | return ! ( (*this) == other ); 2026-05-26T22:07:03,017 | ^~~~~ 2026-05-26T22:07:03,019 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:03,020 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:03,021 | ^~~~~~~~ 2026-05-26T22:07:04,656 [124/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o 2026-05-26T22:07:04,657 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:04,658 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:07:04,659 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/gen3d.cpp:24: 2026-05-26T22:07:04,660 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:04,661 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:04,662 281 | return ! ( (*this) == other ); 2026-05-26T22:07:04,663 | ^~~~~ 2026-05-26T22:07:04,664 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:04,665 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:04,666 | ^~~~~~~~ 2026-05-26T22:07:04,969 [125/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o 2026-05-26T22:07:05,018 [126/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o 2026-05-26T22:07:05,401 [127/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o 2026-05-26T22:07:05,402 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:05,402 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:26, 2026-05-26T22:07:05,403 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/neutralize.cpp:21: 2026-05-26T22:07:05,404 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:05,404 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:05,405 281 | return ! ( (*this) == other ); 2026-05-26T22:07:05,406 | ^~~~~ 2026-05-26T22:07:05,408 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:05,408 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:05,409 | ^~~~~~~~ 2026-05-26T22:07:05,757 [128/480] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o 2026-05-26T22:07:05,758 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:05,759 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:07:05,760 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:35: 2026-05-26T22:07:05,761 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:05,762 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:05,763 281 | return ! ( (*this) == other ); 2026-05-26T22:07:05,764 | ^~~~~ 2026-05-26T22:07:05,765 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:05,766 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:05,767 | ^~~~~~~~ 2026-05-26T22:07:05,768 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:07:05,769 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:07:05,770 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:37: 2026-05-26T22:07:05,771 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:07:05,772 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,773 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:05,773 | ^ 2026-05-26T22:07:05,774 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,775 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,776 | ^~~~~~~~~ 2026-05-26T22:07:05,776 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,778 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:05,778 | ^ 2026-05-26T22:07:05,779 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,780 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,781 | ^~~~~~~~~ 2026-05-26T22:07:05,782 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,783 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:05,784 | ^ 2026-05-26T22:07:05,785 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,786 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,787 | ^~~~~~~~~ 2026-05-26T22:07:05,788 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,789 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:05,790 | ^ 2026-05-26T22:07:05,791 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,791 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,792 | ^~~~~~~~~ 2026-05-26T22:07:05,794 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:07:05,795 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,797 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:05,799 | ^ 2026-05-26T22:07:05,806 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,807 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,807 | ^~~~~~~~~ 2026-05-26T22:07:05,808 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,809 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:05,810 | ^ 2026-05-26T22:07:05,811 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,811 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,812 | ^~~~~~~~~ 2026-05-26T22:07:05,813 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,814 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:05,815 | ^ 2026-05-26T22:07:05,816 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,817 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,818 | ^~~~~~~~~ 2026-05-26T22:07:05,818 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:05,819 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:05,820 | ^ 2026-05-26T22:07:05,821 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:05,822 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:05,823 | ^~~~~~~~~ 2026-05-26T22:07:05,824 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:07:05,825 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:07:05,827 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:31: 2026-05-26T22:07:05,828 /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]’: 2026-05-26T22:07:05,829 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,831 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:07:05,832 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,834 /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]’: 2026-05-26T22:07:05,835 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,837 /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]’: 2026-05-26T22:07:05,837 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,839 /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]’: 2026-05-26T22:07:05,840 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,841 /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]’: 2026-05-26T22:07:05,843 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,846 /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]’: 2026-05-26T22:07:05,847 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,848 /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]’: 2026-05-26T22:07:05,849 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,851 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:07:05,852 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,853 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:2765:38: 2026-05-26T22:07:05,854 /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 2026-05-26T22:07:05,855 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,858 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,859 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFBondCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,860 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:2775:36: 2026-05-26T22:07:05,861 /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 2026-05-26T22:07:05,862 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,864 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,865 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFAngleCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,866 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:2934:35: 2026-05-26T22:07:05,868 /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 2026-05-26T22:07:05,869 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,870 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,871 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFStrBndCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,873 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3077:36: 2026-05-26T22:07:05,875 /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 2026-05-26T22:07:05,876 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,877 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,878 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,880 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3357:37: 2026-05-26T22:07:05,881 /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 2026-05-26T22:07:05,883 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,884 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,885 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,886 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3436:41: 2026-05-26T22:07:05,887 /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 2026-05-26T22:07:05,889 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,890 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,892 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,893 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3443:41: 2026-05-26T22:07:05,894 /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 2026-05-26T22:07:05,896 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,897 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,898 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,900 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3451:41: 2026-05-26T22:07:05,901 /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 2026-05-26T22:07:05,902 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,904 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,905 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,906 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3465:41: 2026-05-26T22:07:05,907 /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 2026-05-26T22:07:05,908 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,913 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,913 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,914 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3472:41: 2026-05-26T22:07:05,915 /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 2026-05-26T22:07:05,916 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,917 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,918 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,919 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3480:41: 2026-05-26T22:07:05,921 /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 2026-05-26T22:07:05,922 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,923 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,928 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFVDWCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,929 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3616:33: 2026-05-26T22:07:05,930 /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 2026-05-26T22:07:05,930 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,931 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,932 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFElectrostaticCalculationMMFF94; _Alloc = std::allocator]’, 2026-05-26T22:07:05,932 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:3678:45: 2026-05-26T22:07:05,933 /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 2026-05-26T22:07:05,934 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:05,935 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:05,947 /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]’: 2026-05-26T22:07:05,948 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:05,949 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:07:05,950 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,951 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,952 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, 2026-05-26T22:07:05,953 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamPbci(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1270:32: 2026-05-26T22:07:05,953 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:05,954 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,955 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,956 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,957 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, 2026-05-26T22:07:05,958 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamPbci(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1271:32: 2026-05-26T22:07:05,960 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:05,961 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,961 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,962 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,963 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, 2026-05-26T22:07:05,964 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamCharge(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1238:32: 2026-05-26T22:07:05,965 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:05,966 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,967 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,967 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,968 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, 2026-05-26T22:07:05,969 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBndk(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:982:32: 2026-05-26T22:07:05,970 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:05,971 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,972 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,973 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,974 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, 2026-05-26T22:07:05,975 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBndk(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:983:32: 2026-05-26T22:07:05,976 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:05,976 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,977 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,978 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,979 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, 2026-05-26T22:07:05,980 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamOOP(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1125:32: 2026-05-26T22:07:05,982 /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 2026-05-26T22:07:05,982 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,983 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,984 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,985 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, 2026-05-26T22:07:05,986 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamDfsb(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1089:32: 2026-05-26T22:07:05,987 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:05,997 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:05,998 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:05,998 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:05,999 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, 2026-05-26T22:07:06,000 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamDfsb(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1090:32: 2026-05-26T22:07:06,001 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,002 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,003 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,004 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,005 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, 2026-05-26T22:07:06,006 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBond(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:948:32: 2026-05-26T22:07:06,007 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,008 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,009 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,010 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,011 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, 2026-05-26T22:07:06,012 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamBond(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:949:32: 2026-05-26T22:07:06,014 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,014 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,015 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,016 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,017 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, 2026-05-26T22:07:06,018 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamStrBnd(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1054:32: 2026-05-26T22:07:06,019 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,020 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,021 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,022 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,023 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, 2026-05-26T22:07:06,024 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamStrBnd(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1055:32: 2026-05-26T22:07:06,025 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,026 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,027 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,028 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,029 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, 2026-05-26T22:07:06,030 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamAngle(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1018:32: 2026-05-26T22:07:06,031 /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 2026-05-26T22:07:06,032 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,033 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,034 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,035 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, 2026-05-26T22:07:06,037 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamAngle(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1019:32: 2026-05-26T22:07:06,038 /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 2026-05-26T22:07:06,039 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,047 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,047 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,048 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, 2026-05-26T22:07:06,049 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1195:32: 2026-05-26T22:07:06,050 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,051 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,051 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,052 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,053 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, 2026-05-26T22:07:06,054 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1196:32: 2026-05-26T22:07:06,055 /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 2026-05-26T22:07:06,056 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,057 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,058 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,059 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, 2026-05-26T22:07:06,059 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1197:32: 2026-05-26T22:07:06,060 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,061 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,062 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,063 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,064 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, 2026-05-26T22:07:06,065 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1198:32: 2026-05-26T22:07:06,067 /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 2026-05-26T22:07:06,067 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,068 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,069 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,070 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, 2026-05-26T22:07:06,070 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1161:32: 2026-05-26T22:07:06,071 /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 2026-05-26T22:07:06,072 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,073 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,074 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,075 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, 2026-05-26T22:07:06,076 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1162:32: 2026-05-26T22:07:06,076 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,077 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,078 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,079 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,080 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, 2026-05-26T22:07:06,081 inlined from ‘bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:1163:32: 2026-05-26T22:07:06,082 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,084 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,085 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,086 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,087 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, 2026-05-26T22:07:06,087 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4107:31: 2026-05-26T22:07:06,088 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,097 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,098 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,098 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,099 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, 2026-05-26T22:07:06,100 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4108:31: 2026-05-26T22:07:06,101 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,102 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,103 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,104 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,105 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, 2026-05-26T22:07:06,106 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4109:31: 2026-05-26T22:07:06,107 /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 2026-05-26T22:07:06,108 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,109 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,110 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,111 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, 2026-05-26T22:07:06,112 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4110:31: 2026-05-26T22:07:06,113 /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 2026-05-26T22:07:06,114 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,115 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,116 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,117 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, 2026-05-26T22:07:06,118 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4113:33: 2026-05-26T22:07:06,119 /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 2026-05-26T22:07:06,120 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,121 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,122 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,123 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, 2026-05-26T22:07:06,124 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4115:33: 2026-05-26T22:07:06,125 /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 2026-05-26T22:07:06,126 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,127 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,128 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,129 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, 2026-05-26T22:07:06,130 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4117:33: 2026-05-26T22:07:06,131 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,132 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,147 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,148 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,148 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, 2026-05-26T22:07:06,150 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4126:31: 2026-05-26T22:07:06,151 /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 2026-05-26T22:07:06,152 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,152 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,153 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,155 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, 2026-05-26T22:07:06,156 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4127:31: 2026-05-26T22:07:06,157 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,158 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,159 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,160 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,161 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, 2026-05-26T22:07:06,162 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4128:31: 2026-05-26T22:07:06,163 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,164 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,165 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,165 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,166 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, 2026-05-26T22:07:06,167 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4129:31: 2026-05-26T22:07:06,168 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,169 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,170 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,171 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,172 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, 2026-05-26T22:07:06,173 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4132:33: 2026-05-26T22:07:06,174 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,175 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,175 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,176 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,177 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, 2026-05-26T22:07:06,178 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4134:33: 2026-05-26T22:07:06,179 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,180 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,181 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,182 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,183 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, 2026-05-26T22:07:06,183 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4136:33: 2026-05-26T22:07:06,184 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,185 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,186 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,187 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:06,197 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, 2026-05-26T22:07:06,197 inlined from ‘virtual bool OpenBabel::OBForceFieldMMFF94::Validate()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/forcefields/forcefieldmmff94.cpp:4157:33: 2026-05-26T22:07:06,198 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:06,199 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:06,200 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:06,871 [129/480] Linking CXX shared module lib/plugin_forcefields.so 2026-05-26T22:07:11,865 [130/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o 2026-05-26T22:07:11,866 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:11,867 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/partialcharges.cpp:22: 2026-05-26T22:07:11,868 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:11,869 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:11,871 281 | return ! ( (*this) == other ); 2026-05-26T22:07:11,872 | ^~~~~ 2026-05-26T22:07:11,873 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:11,874 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:11,876 | ^~~~~~~~ 2026-05-26T22:07:11,929 [131/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o 2026-05-26T22:07:13,073 [132/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o 2026-05-26T22:07:16,714 [133/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o 2026-05-26T22:07:16,715 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/phmodel.h:23, 2026-05-26T22:07:16,716 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/optransform.h:19, 2026-05-26T22:07:16,717 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/optransform.cpp:19: 2026-05-26T22:07:16,718 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:07:16,719 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,720 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:16,721 | ^ 2026-05-26T22:07:16,722 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,723 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,724 | ^~~~~~~~~ 2026-05-26T22:07:16,725 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,726 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:16,727 | ^ 2026-05-26T22:07:16,728 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,729 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,730 | ^~~~~~~~~ 2026-05-26T22:07:16,731 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,732 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:16,733 | ^ 2026-05-26T22:07:16,734 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,735 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,736 | ^~~~~~~~~ 2026-05-26T22:07:16,747 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,757 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:16,758 | ^ 2026-05-26T22:07:16,759 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,760 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,761 | ^~~~~~~~~ 2026-05-26T22:07:16,763 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:07:16,764 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,765 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:16,766 | ^ 2026-05-26T22:07:16,767 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,768 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,769 | ^~~~~~~~~ 2026-05-26T22:07:16,770 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,771 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:16,773 | ^ 2026-05-26T22:07:16,774 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,775 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,776 | ^~~~~~~~~ 2026-05-26T22:07:16,777 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,787 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:16,788 | ^ 2026-05-26T22:07:16,789 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,793 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,794 | ^~~~~~~~~ 2026-05-26T22:07:16,795 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:16,803 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:16,803 | ^ 2026-05-26T22:07:16,805 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:16,806 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:16,807 | ^~~~~~~~~ 2026-05-26T22:07:18,183 [134/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o 2026-05-26T22:07:19,425 [135/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o 2026-05-26T22:07:19,426 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opisomorph.cpp:15: 2026-05-26T22:07:19,427 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:07:19,429 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,430 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:19,431 | ^ 2026-05-26T22:07:19,432 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,433 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,434 | ^~~~~~~~~ 2026-05-26T22:07:19,435 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,436 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:19,437 | ^ 2026-05-26T22:07:19,438 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,439 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,440 | ^~~~~~~~~ 2026-05-26T22:07:19,441 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,442 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:19,443 | ^ 2026-05-26T22:07:19,444 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,445 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,447 | ^~~~~~~~~ 2026-05-26T22:07:19,448 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,449 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:19,450 | ^ 2026-05-26T22:07:19,452 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,453 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,454 | ^~~~~~~~~ 2026-05-26T22:07:19,454 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:07:19,456 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,457 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:19,458 | ^ 2026-05-26T22:07:19,459 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,460 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,461 | ^~~~~~~~~ 2026-05-26T22:07:19,462 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,463 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:19,464 | ^ 2026-05-26T22:07:19,465 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,466 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,467 | ^~~~~~~~~ 2026-05-26T22:07:19,468 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,469 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:19,469 | ^ 2026-05-26T22:07:19,470 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,471 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,477 | ^~~~~~~~~ 2026-05-26T22:07:19,478 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:19,479 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:19,480 | ^ 2026-05-26T22:07:19,481 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:19,482 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:19,483 | ^~~~~~~~~ 2026-05-26T22:07:19,483 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:19,484 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:07:19,485 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/query.h:27, 2026-05-26T22:07:19,486 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opisomorph.h:18, 2026-05-26T22:07:19,487 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opisomorph.cpp:17: 2026-05-26T22:07:19,488 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:19,489 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:19,491 281 | return ! ( (*this) == other ); 2026-05-26T22:07:19,492 | ^~~~~ 2026-05-26T22:07:19,493 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:19,494 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:19,495 | ^~~~~~~~ 2026-05-26T22:07:21,043 [136/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o 2026-05-26T22:07:21,044 In file included from /usr/include/c++/12/bits/stl_algo.h:60, 2026-05-26T22:07:21,045 from /usr/include/c++/12/algorithm:61, 2026-05-26T22:07:21,046 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/deferred.h:5, 2026-05-26T22:07:21,047 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/sort.cpp:24: 2026-05-26T22:07:21,048 /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 >]’: 2026-05-26T22:07:21,049 /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 2026-05-26T22:07:21,050 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-05-26T22:07:21,051 | ^~~~~~~~~~~~~ 2026-05-26T22:07:21,052 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:07:21,053 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:07:21,054 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:07:21,056 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/op.h:25, 2026-05-26T22:07:21,057 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/sort.cpp:19: 2026-05-26T22:07:21,058 /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 >]’: 2026-05-26T22:07:21,059 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:07:21,060 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:07:21,062 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,067 /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 >]’: 2026-05-26T22:07:21,077 /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 2026-05-26T22:07:21,078 82 | __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b, 2026-05-26T22:07:21,079 | ^~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,080 /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 2026-05-26T22:07:21,081 /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 2026-05-26T22:07:21,082 /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 2026-05-26T22:07:21,083 /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 >]’: 2026-05-26T22:07:21,084 /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 2026-05-26T22:07:21,085 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:07:21,085 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,086 /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 2026-05-26T22:07:21,087 In function ‘_RandomAccessIterator std::__unguarded_partition_pivot(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’, 2026-05-26T22:07:21,088 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: 2026-05-26T22:07:21,089 /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 2026-05-26T22:07:21,090 1887 | std::__move_median_to_first(__first, __first + 1, __mid, __last - 1, 2026-05-26T22:07:21,091 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,092 1888 | __comp); 2026-05-26T22:07:21,097 | ~~~~~~~ 2026-05-26T22:07:21,099 /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 2026-05-26T22:07:21,100 /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 >]’: 2026-05-26T22:07:21,101 /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 2026-05-26T22:07:21,102 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:07:21,117 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,118 /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 >]’: 2026-05-26T22:07:21,119 /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 2026-05-26T22:07:21,119 1782 | __unguarded_linear_insert(_RandomAccessIterator __last, 2026-05-26T22:07:21,120 | ^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,121 /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 >]’: 2026-05-26T22:07:21,122 /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 2026-05-26T22:07:21,123 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:07:21,124 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,125 /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 2026-05-26T22:07:21,127 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair}; _Tp = std::pair; _Alloc = std::allocator >]’, 2026-05-26T22:07:21,128 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, 2026-05-26T22:07:21,129 inlined from ‘virtual bool OpenBabel::OpSort::ProcessVec(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/sort.cpp:120:23: 2026-05-26T22:07:21,130 /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 2026-05-26T22:07:21,131 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:21,132 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,134 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’, 2026-05-26T22:07:21,135 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, 2026-05-26T22:07:21,136 inlined from ‘virtual bool OpenBabel::OpSort::ProcessVec(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/sort.cpp:123:14: 2026-05-26T22:07:21,137 /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 2026-05-26T22:07:21,138 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:07:21,139 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,140 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:07:21,141 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,142 1939 | __comp); 2026-05-26T22:07:21,143 | ~~~~~~~ 2026-05-26T22:07:21,143 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter >]’, 2026-05-26T22:07:21,144 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, 2026-05-26T22:07:21,145 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, 2026-05-26T22:07:21,146 inlined from ‘virtual bool OpenBabel::OpSort::ProcessVec(std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/sort.cpp:123:14: 2026-05-26T22:07:21,147 /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 2026-05-26T22:07:21,148 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:07:21,150 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,151 /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 2026-05-26T22:07:21,152 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:07:21,153 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:21,935 [137/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o 2026-05-26T22:07:21,936 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/ophighlight.cpp:16: 2026-05-26T22:07:21,937 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:07:21,938 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,939 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:21,940 | ^ 2026-05-26T22:07:21,946 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,947 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,948 | ^~~~~~~~~ 2026-05-26T22:07:21,949 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,950 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:21,951 | ^ 2026-05-26T22:07:21,953 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,954 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,955 | ^~~~~~~~~ 2026-05-26T22:07:21,956 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,957 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:21,958 | ^ 2026-05-26T22:07:21,959 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,960 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,961 | ^~~~~~~~~ 2026-05-26T22:07:21,962 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,963 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:21,964 | ^ 2026-05-26T22:07:21,965 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,966 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,967 | ^~~~~~~~~ 2026-05-26T22:07:21,968 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:07:21,969 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,970 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:21,971 | ^ 2026-05-26T22:07:21,972 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,972 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,973 | ^~~~~~~~~ 2026-05-26T22:07:21,974 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,987 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:21,988 | ^ 2026-05-26T22:07:21,989 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,990 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,991 | ^~~~~~~~~ 2026-05-26T22:07:21,991 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,992 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:21,993 | ^ 2026-05-26T22:07:21,994 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:21,995 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:21,996 | ^~~~~~~~~ 2026-05-26T22:07:21,997 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:21,998 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:21,998 | ^ 2026-05-26T22:07:21,999 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:22,000 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:22,001 | ^~~~~~~~~ 2026-05-26T22:07:22,002 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:07:22,003 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:07:22,004 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:07:22,005 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:07:22,006 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/ophighlight.cpp:19: 2026-05-26T22:07:22,007 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:22,008 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:22,009 281 | return ! ( (*this) == other ); 2026-05-26T22:07:22,010 | ^~~~~ 2026-05-26T22:07:22,011 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:22,012 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:22,013 | ^~~~~~~~ 2026-05-26T22:07:25,901 [138/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o 2026-05-26T22:07:25,901 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:07:25,902 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/gasteiger.cpp:20: 2026-05-26T22:07:25,904 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:25,905 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:25,906 281 | return ! ( (*this) == other ); 2026-05-26T22:07:25,907 | ^~~~~ 2026-05-26T22:07:25,907 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:25,908 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:25,909 | ^~~~~~~~ 2026-05-26T22:07:26,668 [139/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o 2026-05-26T22:07:26,669 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:26,670 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:07:26,671 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opconfab.cpp:25: 2026-05-26T22:07:26,672 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:26,673 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:26,673 281 | return ! ( (*this) == other ); 2026-05-26T22:07:26,674 | ^~~~~ 2026-05-26T22:07:26,675 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:26,676 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:26,677 | ^~~~~~~~ 2026-05-26T22:07:26,846 [140/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o 2026-05-26T22:07:26,847 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:26,848 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:07:26,849 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/conformer.cpp:35: 2026-05-26T22:07:26,850 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:26,851 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:26,852 281 | return ! ( (*this) == other ); 2026-05-26T22:07:26,855 | ^~~~~ 2026-05-26T22:07:26,856 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:26,857 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:26,858 | ^~~~~~~~ 2026-05-26T22:07:26,859 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:23, 2026-05-26T22:07:26,860 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/conformersearch.h:25, 2026-05-26T22:07:26,867 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/conformer.cpp:37: 2026-05-26T22:07:26,868 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:07:26,869 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,870 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:26,871 | ^ 2026-05-26T22:07:26,874 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,875 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,875 | ^~~~~~~~~ 2026-05-26T22:07:26,876 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,877 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:26,878 | ^ 2026-05-26T22:07:26,887 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,888 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,889 | ^~~~~~~~~ 2026-05-26T22:07:26,890 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,891 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:26,892 | ^ 2026-05-26T22:07:26,893 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,894 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,895 | ^~~~~~~~~ 2026-05-26T22:07:26,896 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,897 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:26,899 | ^ 2026-05-26T22:07:26,900 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,901 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,902 | ^~~~~~~~~ 2026-05-26T22:07:26,903 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:07:26,904 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,905 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:26,905 | ^ 2026-05-26T22:07:26,906 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,910 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,911 | ^~~~~~~~~ 2026-05-26T22:07:26,917 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,918 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:26,918 | ^ 2026-05-26T22:07:26,919 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,926 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,927 | ^~~~~~~~~ 2026-05-26T22:07:26,928 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,929 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:26,930 | ^ 2026-05-26T22:07:26,931 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,932 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,933 | ^~~~~~~~~ 2026-05-26T22:07:26,934 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:26,935 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:26,936 | ^ 2026-05-26T22:07:26,937 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:26,947 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:26,957 | ^~~~~~~~~ 2026-05-26T22:07:29,823 [141/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o 2026-05-26T22:07:29,824 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:07:29,825 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/none.cpp:21: 2026-05-26T22:07:29,826 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:29,828 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:29,829 281 | return ! ( (*this) == other ); 2026-05-26T22:07:29,830 | ^~~~~ 2026-05-26T22:07:29,831 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:29,832 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:29,833 | ^~~~~~~~ 2026-05-26T22:07:30,110 [142/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o 2026-05-26T22:07:30,111 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:07:30,111 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eem.cpp:24: 2026-05-26T22:07:30,112 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:30,113 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:30,114 281 | return ! ( (*this) == other ); 2026-05-26T22:07:30,115 | ^~~~~ 2026-05-26T22:07:30,116 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:30,117 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:30,118 | ^~~~~~~~ 2026-05-26T22:07:30,119 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:07:30,120 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eem.cpp:20: 2026-05-26T22:07:30,122 /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]’: 2026-05-26T22:07:30,123 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:30,124 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:07:30,125 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:30,127 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:07:30,128 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::EEMParameter; _Alloc = std::allocator]’, 2026-05-26T22:07:30,129 inlined from ‘void OpenBabel::EEMCharges::_loadParameters()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eem.cpp:114:28: 2026-05-26T22:07:30,130 /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 2026-05-26T22:07:30,131 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:30,132 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:32,177 [143/480] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o 2026-05-26T22:07:32,178 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/align.h:23, 2026-05-26T22:07:32,179 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opalign.cpp:22: 2026-05-26T22:07:32,180 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:32,181 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:32,183 281 | return ! ( (*this) == other ); 2026-05-26T22:07:32,184 | ^~~~~ 2026-05-26T22:07:32,184 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:32,185 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:32,186 | ^~~~~~~~ 2026-05-26T22:07:32,187 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opalign.cpp:24: 2026-05-26T22:07:32,188 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:07:32,189 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,190 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:32,191 | ^ 2026-05-26T22:07:32,192 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,193 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,194 | ^~~~~~~~~ 2026-05-26T22:07:32,195 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,195 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:32,196 | ^ 2026-05-26T22:07:32,197 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,198 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,199 | ^~~~~~~~~ 2026-05-26T22:07:32,200 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,201 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:32,202 | ^ 2026-05-26T22:07:32,203 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,204 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,205 | ^~~~~~~~~ 2026-05-26T22:07:32,207 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,217 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:07:32,227 | ^ 2026-05-26T22:07:32,228 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,229 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,229 | ^~~~~~~~~ 2026-05-26T22:07:32,230 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:07:32,231 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,232 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:32,233 | ^ 2026-05-26T22:07:32,234 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,235 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,236 | ^~~~~~~~~ 2026-05-26T22:07:32,237 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,238 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:32,239 | ^ 2026-05-26T22:07:32,239 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,240 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,241 | ^~~~~~~~~ 2026-05-26T22:07:32,242 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,247 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:32,257 | ^ 2026-05-26T22:07:32,257 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,259 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,260 | ^~~~~~~~~ 2026-05-26T22:07:32,260 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:07:32,261 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:07:32,263 | ^ 2026-05-26T22:07:32,264 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:07:32,265 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:07:32,266 | ^~~~~~~~~ 2026-05-26T22:07:32,267 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:07:32,268 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:07:32,269 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:07:32,270 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/op.h:25, 2026-05-26T22:07:32,270 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opalign.cpp:20: 2026-05-26T22:07:32,271 /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]’: 2026-05-26T22:07:32,277 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:32,287 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:07:32,287 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:32,288 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:07:32,289 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:07:32,290 inlined from ‘virtual bool OpenBabel::OpAlign::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opalign.cpp:173:28: 2026-05-26T22:07:32,291 /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 2026-05-26T22:07:32,292 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:32,293 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:32,294 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:07:32,295 inlined from ‘virtual bool OpenBabel::OpAlign::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/ops/opalign.cpp:218:20: 2026-05-26T22:07:32,296 /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 2026-05-26T22:07:32,297 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:07:32,298 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:07:33,358 [144/480] Linking CXX shared module lib/plugin_ops.so 2026-05-26T22:07:34,955 [145/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o 2026-05-26T22:07:34,956 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:07:34,957 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/mmff94.cpp:20: 2026-05-26T22:07:34,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:34,959 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:34,960 281 | return ! ( (*this) == other ); 2026-05-26T22:07:34,961 | ^~~~~ 2026-05-26T22:07:34,962 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:34,963 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:34,964 | ^~~~~~~~ 2026-05-26T22:07:34,965 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:07:34,966 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:07:34,967 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:07:34,968 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:24: 2026-05-26T22:07:34,968 /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]’: 2026-05-26T22:07:34,969 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:07:34,970 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:07:34,971 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:34,972 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:34,973 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, 2026-05-26T22:07:34,974 inlined from ‘virtual bool OpenBabel::MMFF94Charges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/mmff94.cpp:72:33: 2026-05-26T22:07:34,975 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:34,975 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:34,977 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:34,977 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:07:34,978 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, 2026-05-26T22:07:34,979 inlined from ‘virtual bool OpenBabel::MMFF94Charges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/mmff94.cpp:73:32: 2026-05-26T22:07:34,981 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:07:34,982 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:07:34,983 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,935 [146/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o 2026-05-26T22:07:40,936 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:07:40,937 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/fromfile.cpp:21: 2026-05-26T22:07:40,939 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:40,940 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:40,941 281 | return ! ( (*this) == other ); 2026-05-26T22:07:40,957 | ^~~~~ 2026-05-26T22:07:40,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:40,959 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:40,960 | ^~~~~~~~ 2026-05-26T22:07:40,961 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:07:40,962 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:27, 2026-05-26T22:07:40,963 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:24: 2026-05-26T22:07:40,963 /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> >]’: 2026-05-26T22:07:40,964 /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 2026-05-26T22:07:40,965 2209 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:07:40,966 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,967 /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> >]’: 2026-05-26T22:07:40,968 /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 2026-05-26T22:07:40,969 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:07:40,970 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,971 In file included from /usr/include/c++/12/map:61: 2026-05-26T22:07:40,972 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> >]’, 2026-05-26T22:07:40,973 inlined from ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/fromfile.cpp:129:32: 2026-05-26T22:07:40,974 /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 2026-05-26T22:07:40,975 530 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:07:40,976 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,977 531 | std::forward_as_tuple(std::move(__k)), 2026-05-26T22:07:40,978 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,979 532 | std::tuple<>()); 2026-05-26T22:07:40,980 | ~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,981 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> >]’, 2026-05-26T22:07:40,982 inlined from ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/fromfile.cpp:137:32: 2026-05-26T22:07:40,983 /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 2026-05-26T22:07:40,984 530 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:07:40,997 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,997 531 | std::forward_as_tuple(std::move(__k)), 2026-05-26T22:07:40,998 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:07:40,999 532 | std::tuple<>()); 2026-05-26T22:07:41,000 | ~~~~~~~~~~~~~~~ 2026-05-26T22:07:56,699 [147/480] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o 2026-05-26T22:07:56,699 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:07:56,700 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mol2format.cpp:19: 2026-05-26T22:07:56,701 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:07:56,702 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:07:56,703 281 | return ! ( (*this) == other ); 2026-05-26T22:07:56,704 | ^~~~~ 2026-05-26T22:07:56,705 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:07:56,706 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:07:56,707 | ^~~~~~~~ 2026-05-26T22:08:14,040 [148/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o 2026-05-26T22:08:14,041 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:08:14,042 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eqeq.h:22, 2026-05-26T22:08:14,043 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eqeq.cpp:21: 2026-05-26T22:08:14,044 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:14,045 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:14,046 281 | return ! ( (*this) == other ); 2026-05-26T22:08:14,047 | ^~~~~ 2026-05-26T22:08:14,048 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:14,049 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:14,050 | ^~~~~~~~ 2026-05-26T22:08:14,051 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:08:14,052 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:08:14,053 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:08:14,055 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:24: 2026-05-26T22:08:14,056 /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]’: 2026-05-26T22:08:14,057 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:08:14,058 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:08:14,059 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:08:14,060 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:08:14,067 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, 2026-05-26T22:08:14,077 inlined from ‘virtual bool OpenBabel::EQEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eqeq.cpp:194:33: 2026-05-26T22:08:14,078 /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 2026-05-26T22:08:14,079 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:08:14,080 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:08:14,081 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:08:14,082 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, 2026-05-26T22:08:14,083 inlined from ‘virtual bool OpenBabel::EQEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/eqeq.cpp:195:32: 2026-05-26T22:08:14,084 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:08:14,085 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:08:14,086 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:08:14,894 [149/480] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o 2026-05-26T22:08:14,894 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:14,895 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdlformat.cpp:31: 2026-05-26T22:08:14,896 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:14,897 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:14,898 281 | return ! ( (*this) == other ); 2026-05-26T22:08:14,898 | ^~~~~ 2026-05-26T22:08:14,899 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:14,900 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:14,901 | ^~~~~~~~ 2026-05-26T22:08:17,690 [150/480] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o 2026-05-26T22:08:20,028 [151/480] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o 2026-05-26T22:08:20,029 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:20,030 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/smilesformat.cpp:26: 2026-05-26T22:08:20,031 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:20,033 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:20,034 281 | return ! ( (*this) == other ); 2026-05-26T22:08:20,035 | ^~~~~ 2026-05-26T22:08:20,037 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:20,038 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:20,039 | ^~~~~~~~ 2026-05-26T22:08:22,781 [152/480] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o 2026-05-26T22:08:22,782 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:22,783 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obfunctions.h:22, 2026-05-26T22:08:22,784 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbformat.cpp:18: 2026-05-26T22:08:22,785 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:22,786 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:22,788 281 | return ! ( (*this) == other ); 2026-05-26T22:08:22,789 | ^~~~~ 2026-05-26T22:08:22,790 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:22,790 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:22,791 | ^~~~~~~~ 2026-05-26T22:08:26,400 [153/480] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o 2026-05-26T22:08:28,234 [154/480] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o 2026-05-26T22:08:28,235 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:28,235 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/asciiformat.cpp:21: 2026-05-26T22:08:28,236 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:28,237 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:28,238 281 | return ! ( (*this) == other ); 2026-05-26T22:08:28,239 | ^~~~~ 2026-05-26T22:08:28,240 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:28,241 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:28,241 | ^~~~~~~~ 2026-05-26T22:08:28,511 [155/480] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o 2026-05-26T22:08:31,663 [156/480] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o 2026-05-26T22:08:35,113 [157/480] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o 2026-05-26T22:08:35,114 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:35,115 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molreport.cpp:23: 2026-05-26T22:08:35,116 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:35,117 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:35,118 281 | return ! ( (*this) == other ); 2026-05-26T22:08:35,119 | ^~~~~ 2026-05-26T22:08:35,120 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:35,121 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:35,122 | ^~~~~~~~ 2026-05-26T22:08:35,913 [158/480] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o 2026-05-26T22:08:35,914 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:35,915 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/inchiformat.cpp:20: 2026-05-26T22:08:35,917 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:35,918 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:35,918 281 | return ! ( (*this) == other ); 2026-05-26T22:08:35,919 | ^~~~~ 2026-05-26T22:08:35,920 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:35,921 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:35,922 | ^~~~~~~~ 2026-05-26T22:08:36,351 [159/480] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o 2026-05-26T22:08:39,638 [160/480] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o 2026-05-26T22:08:39,639 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:39,640 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/MNAformat.cpp:33: 2026-05-26T22:08:39,641 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:39,641 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:39,642 281 | return ! ( (*this) == other ); 2026-05-26T22:08:39,643 | ^~~~~ 2026-05-26T22:08:39,644 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:39,645 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:39,646 | ^~~~~~~~ 2026-05-26T22:08:39,647 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:08:39,648 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/ring.h:30, 2026-05-26T22:08:39,649 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/MNAformat.cpp:37: 2026-05-26T22:08:39,650 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:08:39,650 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,652 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:08:39,653 | ^ 2026-05-26T22:08:39,654 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,655 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,656 | ^~~~~~~~~ 2026-05-26T22:08:39,658 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,660 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:08:39,660 | ^ 2026-05-26T22:08:39,661 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,662 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,663 | ^~~~~~~~~ 2026-05-26T22:08:39,677 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,678 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:08:39,679 | ^ 2026-05-26T22:08:39,680 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,681 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,682 | ^~~~~~~~~ 2026-05-26T22:08:39,683 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,684 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:08:39,685 | ^ 2026-05-26T22:08:39,686 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,688 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,688 | ^~~~~~~~~ 2026-05-26T22:08:39,689 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:08:39,690 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,692 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:08:39,693 | ^ 2026-05-26T22:08:39,694 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,695 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,696 | ^~~~~~~~~ 2026-05-26T22:08:39,697 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,698 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:08:39,699 | ^ 2026-05-26T22:08:39,700 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,701 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,706 | ^~~~~~~~~ 2026-05-26T22:08:39,707 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,708 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:08:39,709 | ^ 2026-05-26T22:08:39,710 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,711 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,712 | ^~~~~~~~~ 2026-05-26T22:08:39,713 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:08:39,713 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:08:39,717 | ^ 2026-05-26T22:08:39,718 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:08:39,719 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:08:39,720 | ^~~~~~~~~ 2026-05-26T22:08:40,718 [161/480] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o 2026-05-26T22:08:43,782 [162/480] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o 2026-05-26T22:08:43,783 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/depict/depict.h:23, 2026-05-26T22:08:43,784 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/painterformat.cpp:22: 2026-05-26T22:08:43,785 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:43,787 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:43,788 281 | return ! ( (*this) == other ); 2026-05-26T22:08:43,789 | ^~~~~ 2026-05-26T22:08:43,790 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:43,791 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:43,793 | ^~~~~~~~ 2026-05-26T22:08:48,158 [163/480] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o 2026-05-26T22:08:48,158 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:48,159 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/povrayformat.cpp:25: 2026-05-26T22:08:48,160 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:48,161 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:48,162 281 | return ! ( (*this) == other ); 2026-05-26T22:08:48,163 | ^~~~~ 2026-05-26T22:08:48,164 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:48,165 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:48,166 | ^~~~~~~~ 2026-05-26T22:08:48,990 [164/480] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o 2026-05-26T22:08:49,559 [165/480] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o 2026-05-26T22:08:49,561 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:08:49,562 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/reportformat.cpp:25: 2026-05-26T22:08:49,562 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:49,564 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:49,565 281 | return ! ( (*this) == other ); 2026-05-26T22:08:49,566 | ^~~~~ 2026-05-26T22:08:49,567 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:49,568 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:49,569 | ^~~~~~~~ 2026-05-26T22:08:52,788 [166/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o 2026-05-26T22:08:52,789 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:08:52,790 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qeq.h:22, 2026-05-26T22:08:52,791 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qeq.cpp:21: 2026-05-26T22:08:52,793 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:52,794 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:52,795 281 | return ! ( (*this) == other ); 2026-05-26T22:08:52,796 | ^~~~~ 2026-05-26T22:08:52,797 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:52,798 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:52,799 | ^~~~~~~~ 2026-05-26T22:08:52,800 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:08:52,802 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:08:52,802 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:08:52,803 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:24: 2026-05-26T22:08:52,804 /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 >]’: 2026-05-26T22:08:52,806 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:08:52,806 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:08:52,807 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:08:52,808 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:08:52,809 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = Eigen::Matrix; _Alloc = std::allocator >]’, 2026-05-26T22:08:52,810 inlined from ‘void OpenBabel::QEqCharges::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qeq.cpp:149:28: 2026-05-26T22:08:52,811 /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 2026-05-26T22:08:52,812 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:08:52,813 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:08:52,814 /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]’: 2026-05-26T22:08:52,815 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:08:52,816 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:08:52,817 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:08:52,818 /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]’: 2026-05-26T22:08:52,819 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:08:52,820 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:08:52,820 inlined from ‘virtual bool OpenBabel::QEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qeq.cpp:285:35: 2026-05-26T22:08:52,821 /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 2026-05-26T22:08:52,822 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:08:52,823 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:08:52,824 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:08:52,825 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, 2026-05-26T22:08:52,826 inlined from ‘virtual bool OpenBabel::QEqCharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qeq.cpp:286:34: 2026-05-26T22:08:52,828 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:08:52,829 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:08:52,830 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:08:54,368 [167/480] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o 2026-05-26T22:08:56,896 [168/480] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o 2026-05-26T22:08:56,896 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/depict/depict.h:23, 2026-05-26T22:08:56,897 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/svgformat.cpp:21: 2026-05-26T22:08:56,898 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:08:56,899 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:08:56,900 281 | return ! ( (*this) == other ); 2026-05-26T22:08:56,901 | ^~~~~ 2026-05-26T22:08:56,902 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:08:56,903 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:08:56,904 | ^~~~~~~~ 2026-05-26T22:08:58,882 [169/480] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o 2026-05-26T22:09:01,897 [170/480] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o 2026-05-26T22:09:01,898 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/align.h:23, 2026-05-26T22:09:01,899 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/confabreport.cpp:35: 2026-05-26T22:09:01,900 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:01,901 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:01,902 281 | return ! ( (*this) == other ); 2026-05-26T22:09:01,903 | ^~~~~ 2026-05-26T22:09:01,904 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:01,905 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:01,906 | ^~~~~~~~ 2026-05-26T22:09:01,908 In file included from /usr/include/c++/12/bits/stl_algo.h:60, 2026-05-26T22:09:01,910 from /usr/include/c++/12/algorithm:61, 2026-05-26T22:09:01,911 from /tmp/pip-build-env-01h0027h/overlay/local/lib/python3.11/dist-packages/cmeel.prefix/include/eigen3/Eigen/Core:95, 2026-05-26T22:09:01,913 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/align.h:26: 2026-05-26T22:09:01,913 /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]’: 2026-05-26T22:09:01,914 /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 2026-05-26T22:09:01,916 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, 2026-05-26T22:09:01,918 | ^~~~~~~~~~~~~ 2026-05-26T22:09:01,927 /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]’: 2026-05-26T22:09:01,928 /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 2026-05-26T22:09:01,929 1802 | __insertion_sort(_RandomAccessIterator __first, 2026-05-26T22:09:01,930 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,931 /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 2026-05-26T22:09:01,932 /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]’: 2026-05-26T22:09:01,932 /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 2026-05-26T22:09:01,933 1908 | __introsort_loop(_RandomAccessIterator __first, 2026-05-26T22:09:01,934 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,935 /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 2026-05-26T22:09:01,936 /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 2026-05-26T22:09:01,937 1922 | std::__introsort_loop(__cut, __last, __depth_limit, __comp); 2026-05-26T22:09:01,938 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,939 In function ‘void std::__sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’, 2026-05-26T22:09:01,940 inlined from ‘void std::sort(_RAIter, _RAIter) [with _RAIter = __gnu_cxx::__normal_iterator >]’ at /usr/include/c++/12/bits/stl_algo.h:4820:18, 2026-05-26T22:09:01,941 inlined from ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/confabreport.cpp:112:9: 2026-05-26T22:09:01,942 /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 2026-05-26T22:09:01,944 1937 | std::__introsort_loop(__first, __last, 2026-05-26T22:09:01,946 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,947 1938 | std::__lg(__last - __first) * 2, 2026-05-26T22:09:01,949 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,951 1939 | __comp); 2026-05-26T22:09:01,953 | ~~~~~~~ 2026-05-26T22:09:01,955 In function ‘void std::__final_insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]’, 2026-05-26T22:09:01,957 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, 2026-05-26T22:09:01,959 inlined from ‘void std::sort(_RAIter, _RAIter) [with _RAIter = __gnu_cxx::__normal_iterator >]’ at /usr/include/c++/12/bits/stl_algo.h:4820:18, 2026-05-26T22:09:01,962 inlined from ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/confabreport.cpp:112:9: 2026-05-26T22:09:01,963 /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 2026-05-26T22:09:01,964 1849 | std::__insertion_sort(__first, __first + int(_S_threshold), __comp); 2026-05-26T22:09:01,966 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,967 /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 2026-05-26T22:09:01,987 1854 | std::__insertion_sort(__first, __last, __comp); 2026-05-26T22:09:01,987 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,988 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:01,989 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:01,990 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:01,991 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/confabreport.cpp:34: 2026-05-26T22:09:01,992 /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]’: 2026-05-26T22:09:01,992 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:01,993 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:01,994 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:01,995 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:01,996 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, 2026-05-26T22:09:01,997 inlined from ‘virtual bool OpenBabel::ConfabReport::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/confabreport.cpp:213:17: 2026-05-26T22:09:01,998 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:01,999 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:02,001 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:03,285 [171/480] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o 2026-05-26T22:09:03,286 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:25, 2026-05-26T22:09:03,287 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qtpie.h:22, 2026-05-26T22:09:03,288 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qtpie.cpp:21: 2026-05-26T22:09:03,289 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:03,290 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:03,292 281 | return ! ( (*this) == other ); 2026-05-26T22:09:03,293 | ^~~~~ 2026-05-26T22:09:03,293 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:03,294 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:03,295 | ^~~~~~~~ 2026-05-26T22:09:03,296 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:03,297 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/dlhandler.h:25, 2026-05-26T22:09:03,298 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/plugin.h:23, 2026-05-26T22:09:03,299 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/chargemodel.h:24: 2026-05-26T22:09:03,300 /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 >]’: 2026-05-26T22:09:03,301 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector >::iterator’ changed in GCC 7.1 2026-05-26T22:09:03,302 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:03,303 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:03,304 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:03,305 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = Eigen::Matrix; _Alloc = std::allocator >]’, 2026-05-26T22:09:03,306 inlined from ‘void OpenBabel::QTPIECharges::ParseParamFile()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qtpie.cpp:141:28: 2026-05-26T22:09:03,307 /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 2026-05-26T22:09:03,308 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:03,309 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:03,310 /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]’: 2026-05-26T22:09:03,311 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:03,312 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:03,313 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:03,314 /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]’: 2026-05-26T22:09:03,315 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:03,316 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:03,317 inlined from ‘virtual bool OpenBabel::QTPIECharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qtpie.cpp:330:35: 2026-05-26T22:09:03,327 /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 2026-05-26T22:09:03,328 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:03,329 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:03,330 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:03,331 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, 2026-05-26T22:09:03,332 inlined from ‘virtual bool OpenBabel::QTPIECharges::ComputeCharges(OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/charges/qtpie.cpp:331:34: 2026-05-26T22:09:03,333 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:03,334 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:03,347 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:04,354 [172/480] Linking CXX shared module lib/plugin_charges.so 2026-05-26T22:09:05,914 [173/480] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o 2026-05-26T22:09:05,915 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:05,916 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:22: 2026-05-26T22:09:05,917 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:05,918 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:05,919 281 | return ! ( (*this) == other ); 2026-05-26T22:09:05,920 | ^~~~~ 2026-05-26T22:09:05,921 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:05,922 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:05,923 | ^~~~~~~~ 2026-05-26T22:09:05,924 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:05,937 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:05,938 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:05,939 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:20: 2026-05-26T22:09:05,940 /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]’: 2026-05-26T22:09:05,941 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:05,942 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:05,943 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:05,944 /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]’: 2026-05-26T22:09:05,945 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:05,946 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:05,947 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, 2026-05-26T22:09:05,948 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:191:37: 2026-05-26T22:09:05,949 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:05,950 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:05,951 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:05,952 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:05,953 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, 2026-05-26T22:09:05,954 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:193:37: 2026-05-26T22:09:05,955 /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 2026-05-26T22:09:05,956 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:05,957 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:05,958 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:05,959 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, 2026-05-26T22:09:05,960 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:207:37: 2026-05-26T22:09:05,961 /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 2026-05-26T22:09:05,962 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:05,963 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:05,964 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:05,965 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, 2026-05-26T22:09:05,966 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:209:37: 2026-05-26T22:09:05,967 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:05,968 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:05,969 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:05,970 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:05,971 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, 2026-05-26T22:09:05,977 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:211:37: 2026-05-26T22:09:05,978 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:05,979 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:05,980 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:05,981 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:05,982 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, 2026-05-26T22:09:05,983 inlined from ‘virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acesformat.cpp:234:39: 2026-05-26T22:09:05,984 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:05,984 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:05,986 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:06,417 [174/480] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o 2026-05-26T22:09:06,418 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:06,419 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/abinitformat.cpp:18: 2026-05-26T22:09:06,420 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:06,421 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:06,422 281 | return ! ( (*this) == other ); 2026-05-26T22:09:06,424 | ^~~~~ 2026-05-26T22:09:06,425 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:06,426 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:06,427 | ^~~~~~~~ 2026-05-26T22:09:06,428 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:06,429 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:06,430 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:06,431 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/abinitformat.cpp:16: 2026-05-26T22:09:06,432 /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]’: 2026-05-26T22:09:06,433 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:06,434 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:06,435 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:06,436 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:06,437 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, 2026-05-26T22:09:06,438 inlined from ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/abinitformat.cpp:137:27: 2026-05-26T22:09:06,439 /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 2026-05-26T22:09:06,440 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:06,441 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:06,442 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:06,444 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, 2026-05-26T22:09:06,445 inlined from ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/abinitformat.cpp:146:36: 2026-05-26T22:09:06,446 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:06,449 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:06,457 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,786 [175/480] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o 2026-05-26T22:09:10,787 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:10,788 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:19: 2026-05-26T22:09:10,789 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:10,790 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:10,791 281 | return ! ( (*this) == other ); 2026-05-26T22:09:10,793 | ^~~~~ 2026-05-26T22:09:10,794 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:10,795 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:10,795 | ^~~~~~~~ 2026-05-26T22:09:10,796 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:10,797 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:10,798 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:10,799 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:17: 2026-05-26T22:09:10,800 /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]’: 2026-05-26T22:09:10,801 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:10,802 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:10,803 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,804 /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]’: 2026-05-26T22:09:10,804 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:10,805 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:10,807 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, 2026-05-26T22:09:10,808 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:90:30: 2026-05-26T22:09:10,809 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:10,810 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:10,811 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,812 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:10,813 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, 2026-05-26T22:09:10,814 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:102:30: 2026-05-26T22:09:10,815 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:10,816 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:10,817 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,818 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:10,820 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, 2026-05-26T22:09:10,821 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:116:23: 2026-05-26T22:09:10,821 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:10,822 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:10,823 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,824 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:10,825 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, 2026-05-26T22:09:10,825 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:123:23: 2026-05-26T22:09:10,837 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:10,838 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:10,839 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,840 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:10,841 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, 2026-05-26T22:09:10,842 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:130:23: 2026-05-26T22:09:10,843 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:10,844 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:10,845 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:10,846 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:10,847 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, 2026-05-26T22:09:10,848 inlined from ‘virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/aoforceformat.cpp:144:28: 2026-05-26T22:09:10,849 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:10,853 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:10,854 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:12,285 [176/480] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o 2026-05-26T22:09:12,286 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:12,287 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/castepformat.cpp:18: 2026-05-26T22:09:12,288 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:12,289 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:12,290 281 | return ! ( (*this) == other ); 2026-05-26T22:09:12,291 | ^~~~~ 2026-05-26T22:09:12,292 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:12,293 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:12,294 | ^~~~~~~~ 2026-05-26T22:09:15,017 [177/480] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o 2026-05-26T22:09:15,019 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:15,020 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/daltonformat.cpp:17: 2026-05-26T22:09:15,021 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:15,022 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:15,023 281 | return ! ( (*this) == other ); 2026-05-26T22:09:15,024 | ^~~~~ 2026-05-26T22:09:15,026 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:15,027 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:15,028 | ^~~~~~~~ 2026-05-26T22:09:16,187 [178/480] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o 2026-05-26T22:09:16,188 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:16,189 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/dmolformat.cpp:18: 2026-05-26T22:09:16,190 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:16,191 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:16,192 281 | return ! ( (*this) == other ); 2026-05-26T22:09:16,193 | ^~~~~ 2026-05-26T22:09:16,195 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:16,196 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:16,197 | ^~~~~~~~ 2026-05-26T22:09:17,162 [179/480] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o 2026-05-26T22:09:17,163 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:17,164 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:38: 2026-05-26T22:09:17,165 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:17,166 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:17,167 281 | return ! ( (*this) == other ); 2026-05-26T22:09:17,167 | ^~~~~ 2026-05-26T22:09:17,168 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:17,169 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:17,170 | ^~~~~~~~ 2026-05-26T22:09:17,171 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:17,172 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:31: 2026-05-26T22:09:17,173 /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]’: 2026-05-26T22:09:17,174 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:17,175 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:17,176 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:17,177 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:17,178 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, 2026-05-26T22:09:17,179 inlined from ‘virtual bool OpenBabel::ADFDftbFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:602:30: 2026-05-26T22:09:17,180 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:17,181 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:17,182 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:17,183 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:17,184 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, 2026-05-26T22:09:17,185 inlined from ‘virtual bool OpenBabel::ADFDftbFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:606:30: 2026-05-26T22:09:17,186 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:17,187 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:17,197 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:17,197 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:17,198 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, 2026-05-26T22:09:17,199 inlined from ‘virtual bool OpenBabel::ADFBandFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:460:28: 2026-05-26T22:09:17,200 /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 2026-05-26T22:09:17,201 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:17,202 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:17,203 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:17,204 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, 2026-05-26T22:09:17,205 inlined from ‘virtual bool OpenBabel::ADFBandFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:464:28: 2026-05-26T22:09:17,206 /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 2026-05-26T22:09:17,207 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:17,208 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:17,209 /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]’: 2026-05-26T22:09:17,211 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:17,212 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:17,213 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:17,214 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::OBT41Format::AtomData}; _Tp = OpenBabel::OBT41Format::AtomData; _Alloc = std::allocator]’, 2026-05-26T22:09:17,227 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, 2026-05-26T22:09:17,228 inlined from ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/adfformat.cpp:901:26: 2026-05-26T22:09:17,229 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:17,230 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:17,231 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,035 [180/480] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o 2026-05-26T22:09:21,036 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:21,037 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:23: 2026-05-26T22:09:21,038 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:21,039 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:21,040 281 | return ! ( (*this) == other ); 2026-05-26T22:09:21,041 | ^~~~~ 2026-05-26T22:09:21,042 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:21,043 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:21,044 | ^~~~~~~~ 2026-05-26T22:09:21,045 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:21,047 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:18: 2026-05-26T22:09:21,048 /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]’: 2026-05-26T22:09:21,049 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:21,050 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:21,051 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,052 /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]’: 2026-05-26T22:09:21,053 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:21,054 /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]’: 2026-05-26T22:09:21,055 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:21,056 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:21,058 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:21,059 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:226:25: 2026-05-26T22:09:21,060 /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 2026-05-26T22:09:21,061 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:21,063 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:21,064 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:21,065 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:227:30: 2026-05-26T22:09:21,066 /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 2026-05-26T22:09:21,067 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:21,068 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:21,070 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:21,077 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, 2026-05-26T22:09:21,087 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:253:27: 2026-05-26T22:09:21,088 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,089 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,089 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,090 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:21,091 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, 2026-05-26T22:09:21,093 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:259:27: 2026-05-26T22:09:21,094 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,095 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,096 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,097 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:21,098 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, 2026-05-26T22:09:21,107 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:265:27: 2026-05-26T22:09:21,109 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,110 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,111 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,112 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,113 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, 2026-05-26T22:09:21,114 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:268:24: 2026-05-26T22:09:21,115 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,116 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,127 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,128 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,129 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, 2026-05-26T22:09:21,130 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:269:24: 2026-05-26T22:09:21,131 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,132 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,133 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,134 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,135 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, 2026-05-26T22:09:21,136 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:270:26: 2026-05-26T22:09:21,137 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,138 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,140 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,141 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,142 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, 2026-05-26T22:09:21,143 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:271:25: 2026-05-26T22:09:21,144 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,145 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,146 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,147 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,157 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, 2026-05-26T22:09:21,167 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:272:25: 2026-05-26T22:09:21,168 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,169 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,170 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,170 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,171 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, 2026-05-26T22:09:21,173 inlined from ‘virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crystal09format.cpp:273:24: 2026-05-26T22:09:21,174 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:21,175 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,176 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,664 [181/480] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o 2026-05-26T22:09:21,665 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:21,666 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fhiaimsformat.cpp:17: 2026-05-26T22:09:21,667 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:21,668 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:21,669 281 | return ! ( (*this) == other ); 2026-05-26T22:09:21,670 | ^~~~~ 2026-05-26T22:09:21,671 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:21,672 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:21,673 | ^~~~~~~~ 2026-05-26T22:09:21,674 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:21,675 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:21,677 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:21,678 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fhiaimsformat.cpp:15: 2026-05-26T22:09:21,678 /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]’: 2026-05-26T22:09:21,679 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:21,680 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:21,681 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:21,682 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:21,683 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, 2026-05-26T22:09:21,684 inlined from ‘virtual bool OpenBabel::FHIaimsFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fhiaimsformat.cpp:120:26: 2026-05-26T22:09:21,685 /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 2026-05-26T22:09:21,686 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:21,687 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:30,938 [182/480] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o 2026-05-26T22:09:30,939 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:30,940 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fchkformat.cpp:27: 2026-05-26T22:09:30,941 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:30,942 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:30,943 281 | return ! ( (*this) == other ); 2026-05-26T22:09:30,944 | ^~~~~ 2026-05-26T22:09:30,945 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:30,946 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:30,947 | ^~~~~~~~ 2026-05-26T22:09:30,948 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:30,949 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:09:30,950 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fchkformat.cpp:23: 2026-05-26T22:09:30,951 /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]’: 2026-05-26T22:09:30,952 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:30,953 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:30,954 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:30,955 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:30,956 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:30,957 inlined from ‘static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector&, unsigned int) [with T = double]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fchkformat.cpp:762:26: 2026-05-26T22:09:30,967 /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 2026-05-26T22:09:30,967 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:30,968 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:30,969 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:30,970 inlined from ‘static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector&, unsigned int) [with T = double]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fchkformat.cpp:784:20: 2026-05-26T22:09:30,971 /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 2026-05-26T22:09:30,972 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:30,973 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:30,973 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:30,974 inlined from ‘static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector&, unsigned int) [with T = double]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fchkformat.cpp:762:26, 2026-05-26T22:09:30,975 inlined from ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fchkformat.cpp:240:42: 2026-05-26T22:09:30,976 /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 2026-05-26T22:09:30,977 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:30,978 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:32,506 [183/480] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o 2026-05-26T22:09:32,507 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:32,507 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gulpformat.cpp:18: 2026-05-26T22:09:32,508 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:32,509 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:32,510 281 | return ! ( (*this) == other ); 2026-05-26T22:09:32,512 | ^~~~~ 2026-05-26T22:09:32,513 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:32,514 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:32,515 | ^~~~~~~~ 2026-05-26T22:09:37,557 [184/480] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o 2026-05-26T22:09:37,558 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:37,560 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gausszmatformat.cpp:18: 2026-05-26T22:09:37,561 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:37,562 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:37,564 281 | return ! ( (*this) == other ); 2026-05-26T22:09:37,565 | ^~~~~ 2026-05-26T22:09:37,566 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:37,567 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:37,568 | ^~~~~~~~ 2026-05-26T22:09:37,569 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:09:37,570 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:31, 2026-05-26T22:09:37,571 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:37,572 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gausszmatformat.cpp:16: 2026-05-26T22:09:37,573 /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> >]’: 2026-05-26T22:09:37,574 /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 2026-05-26T22:09:37,576 2209 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:09:37,577 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:40,286 [185/480] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o 2026-05-26T22:09:40,287 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:40,288 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gausscubeformat.cpp:31: 2026-05-26T22:09:40,289 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:40,291 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:40,292 281 | return ! ( (*this) == other ); 2026-05-26T22:09:40,293 | ^~~~~ 2026-05-26T22:09:40,294 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:40,295 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:40,296 | ^~~~~~~~ 2026-05-26T22:09:40,297 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:40,298 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:40,299 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:40,300 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gausscubeformat.cpp:29: 2026-05-26T22:09:40,301 /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]’: 2026-05-26T22:09:40,302 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:40,303 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:40,304 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:40,305 /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]’: 2026-05-26T22:09:40,306 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:40,307 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:40,308 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, 2026-05-26T22:09:40,310 inlined from ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gausscubeformat.cpp:507:25: 2026-05-26T22:09:40,311 /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 2026-05-26T22:09:40,312 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:40,313 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:40,314 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:40,315 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:40,317 inlined from ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gausscubeformat.cpp:518:25: 2026-05-26T22:09:40,318 /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 2026-05-26T22:09:40,319 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:40,320 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:41,389 [186/480] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o 2026-05-26T22:09:41,390 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:41,391 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/hinformat.cpp:19: 2026-05-26T22:09:41,393 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:41,394 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:41,395 281 | return ! ( (*this) == other ); 2026-05-26T22:09:41,396 | ^~~~~ 2026-05-26T22:09:41,397 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:41,398 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:41,399 | ^~~~~~~~ 2026-05-26T22:09:43,764 [187/480] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o 2026-05-26T22:09:43,765 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:43,766 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/jaguarformat.cpp:19: 2026-05-26T22:09:43,767 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:43,768 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:43,769 281 | return ! ( (*this) == other ); 2026-05-26T22:09:43,770 | ^~~~~ 2026-05-26T22:09:43,771 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:43,772 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:43,773 | ^~~~~~~~ 2026-05-26T22:09:45,587 [188/480] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o 2026-05-26T22:09:45,588 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:45,590 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:21: 2026-05-26T22:09:45,591 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:45,593 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:45,595 281 | return ! ( (*this) == other ); 2026-05-26T22:09:45,596 | ^~~~~ 2026-05-26T22:09:45,597 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:45,598 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:45,599 | ^~~~~~~~ 2026-05-26T22:09:45,600 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:45,602 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:45,603 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:45,605 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:19: 2026-05-26T22:09:45,606 /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]’: 2026-05-26T22:09:45,607 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:45,608 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:45,609 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,610 /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]’: 2026-05-26T22:09:45,611 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:45,612 /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]’: 2026-05-26T22:09:45,614 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,615 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,616 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,627 /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]’: 2026-05-26T22:09:45,628 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:45,629 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:45,630 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,632 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:45,633 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,634 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:287:31: 2026-05-26T22:09:45,635 /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 2026-05-26T22:09:45,636 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,637 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,638 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,639 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:288:31: 2026-05-26T22:09:45,640 /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 2026-05-26T22:09:45,641 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,642 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,643 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,644 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:289:31: 2026-05-26T22:09:45,645 /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 2026-05-26T22:09:45,646 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,647 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,648 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,649 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:310:32: 2026-05-26T22:09:45,650 /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 2026-05-26T22:09:45,651 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,652 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,653 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,653 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:332:34: 2026-05-26T22:09:45,654 /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 2026-05-26T22:09:45,655 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,656 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,657 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,658 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:333:34: 2026-05-26T22:09:45,659 /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 2026-05-26T22:09:45,660 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,661 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,662 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,663 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:334:34: 2026-05-26T22:09:45,664 /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 2026-05-26T22:09:45,665 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,666 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,667 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,668 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:340:34: 2026-05-26T22:09:45,670 /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 2026-05-26T22:09:45,670 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,687 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,688 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,689 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:341:34: 2026-05-26T22:09:45,690 /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 2026-05-26T22:09:45,690 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,691 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,692 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,693 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:342:34: 2026-05-26T22:09:45,694 /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 2026-05-26T22:09:45,695 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,696 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,697 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,698 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:371:32: 2026-05-26T22:09:45,700 /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 2026-05-26T22:09:45,701 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,702 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,703 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,704 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:372:32: 2026-05-26T22:09:45,705 /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 2026-05-26T22:09:45,706 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,707 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,708 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,709 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:373:32: 2026-05-26T22:09:45,710 /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 2026-05-26T22:09:45,711 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,712 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,713 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,714 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:408:36: 2026-05-26T22:09:45,715 /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 2026-05-26T22:09:45,715 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,716 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,717 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,719 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:409:36: 2026-05-26T22:09:45,720 /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 2026-05-26T22:09:45,721 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,722 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,723 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,724 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:410:36: 2026-05-26T22:09:45,725 /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 2026-05-26T22:09:45,726 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:45,727 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:45,729 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,729 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, 2026-05-26T22:09:45,731 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:437:35: 2026-05-26T22:09:45,731 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,732 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,733 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,734 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,735 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, 2026-05-26T22:09:45,736 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:570:24: 2026-05-26T22:09:45,737 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,738 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,739 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,747 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,748 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, 2026-05-26T22:09:45,749 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:576:24: 2026-05-26T22:09:45,751 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,752 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,753 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,754 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,755 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, 2026-05-26T22:09:45,756 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:583:24: 2026-05-26T22:09:45,757 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,758 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,759 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,760 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:45,762 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, 2026-05-26T22:09:45,763 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:591:51: 2026-05-26T22:09:45,764 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,766 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,767 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:45,768 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:45,769 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, 2026-05-26T22:09:45,770 inlined from ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessformat.cpp:617:31: 2026-05-26T22:09:45,771 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:45,772 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:45,773 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,522 [189/480] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o 2026-05-26T22:09:49,523 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:49,524 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:21: 2026-05-26T22:09:49,525 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:49,526 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:49,527 281 | return ! ( (*this) == other ); 2026-05-26T22:09:49,528 | ^~~~~ 2026-05-26T22:09:49,529 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:49,530 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:49,531 | ^~~~~~~~ 2026-05-26T22:09:49,533 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:49,534 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/data.h:28, 2026-05-26T22:09:49,535 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:17: 2026-05-26T22:09:49,536 /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]’: 2026-05-26T22:09:49,537 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:49,538 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:49,539 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,540 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:49,541 /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]’: 2026-05-26T22:09:49,542 /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 2026-05-26T22:09:49,544 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:49,545 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:49,546 /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]’: 2026-05-26T22:09:49,557 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:49,558 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:49,559 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,560 /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]’: 2026-05-26T22:09:49,561 /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 2026-05-26T22:09:49,562 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,563 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,563 /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]’: 2026-05-26T22:09:49,564 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:49,565 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:49,566 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,567 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,568 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:619:42: 2026-05-26T22:09:49,569 /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 2026-05-26T22:09:49,570 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:49,571 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:49,572 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,573 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:620:42: 2026-05-26T22:09:49,575 /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 2026-05-26T22:09:49,576 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:49,577 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:49,578 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,579 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:621:42: 2026-05-26T22:09:49,580 /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 2026-05-26T22:09:49,581 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:49,582 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:49,583 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,584 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, 2026-05-26T22:09:49,585 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:751:32: 2026-05-26T22:09:49,587 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,588 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,589 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,589 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,590 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, 2026-05-26T22:09:49,592 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:799:32: 2026-05-26T22:09:49,592 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,593 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,594 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,595 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,597 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, 2026-05-26T22:09:49,598 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:800:32: 2026-05-26T22:09:49,607 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,608 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,609 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,610 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,611 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, 2026-05-26T22:09:49,612 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:930:32: 2026-05-26T22:09:49,613 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,614 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,615 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,616 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:49,617 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, 2026-05-26T22:09:49,619 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:1001:31: 2026-05-26T22:09:49,620 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,621 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,622 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,623 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:49,624 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, 2026-05-26T22:09:49,625 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:1003:31: 2026-05-26T22:09:49,625 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,626 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,627 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,628 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:49,630 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, 2026-05-26T22:09:49,631 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:1005:31: 2026-05-26T22:09:49,632 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:49,633 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:49,634 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:49,635 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:49,636 inlined from ‘virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gaussformat.cpp:1311:39: 2026-05-26T22:09:49,637 /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 2026-05-26T22:09:49,647 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:49,657 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:52,923 [190/480] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o 2026-05-26T22:09:52,924 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:52,925 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:22: 2026-05-26T22:09:52,927 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:52,927 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:52,928 281 | return ! ( (*this) == other ); 2026-05-26T22:09:52,929 | ^~~~~ 2026-05-26T22:09:52,930 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:52,931 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:52,932 | ^~~~~~~~ 2026-05-26T22:09:52,933 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:52,934 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:52,935 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:52,935 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:20: 2026-05-26T22:09:52,936 /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]’: 2026-05-26T22:09:52,937 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:52,938 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:52,939 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,940 /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]’: 2026-05-26T22:09:52,941 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:52,942 /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]’: 2026-05-26T22:09:52,944 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:52,945 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:52,946 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, 2026-05-26T22:09:52,947 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:197:33: 2026-05-26T22:09:52,948 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:52,949 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:52,950 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,951 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:52,953 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, 2026-05-26T22:09:52,954 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:199:33: 2026-05-26T22:09:52,955 /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 2026-05-26T22:09:52,956 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:52,957 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,958 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:52,959 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, 2026-05-26T22:09:52,960 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:206:33: 2026-05-26T22:09:52,961 /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 2026-05-26T22:09:52,961 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:52,962 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,964 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:52,965 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, 2026-05-26T22:09:52,966 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:214:28: 2026-05-26T22:09:52,967 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:52,968 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:52,969 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,970 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:52,987 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, 2026-05-26T22:09:52,988 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:218:28: 2026-05-26T22:09:52,989 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:52,990 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:52,991 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,992 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:52,993 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, 2026-05-26T22:09:52,994 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:222:28: 2026-05-26T22:09:52,995 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:52,995 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:52,996 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:52,997 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:52,999 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, 2026-05-26T22:09:53,000 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:226:33: 2026-05-26T22:09:53,000 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:53,001 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:53,002 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:53,003 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:09:53,004 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:53,005 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:233:36: 2026-05-26T22:09:53,006 /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 2026-05-26T22:09:53,017 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:53,018 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:53,019 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:53,020 inlined from ‘virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/molproformat.cpp:232:36: 2026-05-26T22:09:53,021 /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 2026-05-26T22:09:53,022 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:09:53,023 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:09:55,025 [191/480] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o 2026-05-26T22:09:55,026 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:55,027 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pwscfformat.cpp:18: 2026-05-26T22:09:55,028 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:55,029 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:55,030 281 | return ! ( (*this) == other ); 2026-05-26T22:09:55,031 | ^~~~~ 2026-05-26T22:09:55,033 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:55,033 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:55,034 | ^~~~~~~~ 2026-05-26T22:09:59,153 [192/480] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o 2026-05-26T22:09:59,154 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:09:59,155 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:20: 2026-05-26T22:09:59,156 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:09:59,157 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:09:59,157 281 | return ! ( (*this) == other ); 2026-05-26T22:09:59,158 | ^~~~~ 2026-05-26T22:09:59,159 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:09:59,160 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:09:59,161 | ^~~~~~~~ 2026-05-26T22:09:59,162 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:09:59,163 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:09:59,164 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:09:59,166 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:18: 2026-05-26T22:09:59,167 /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]’: 2026-05-26T22:09:59,168 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:59,169 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:09:59,170 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:59,171 /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]’: 2026-05-26T22:09:59,172 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:09:59,173 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:59,174 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, 2026-05-26T22:09:59,175 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:233:36: 2026-05-26T22:09:59,176 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:59,177 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:59,178 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:59,179 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:09:59,180 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, 2026-05-26T22:09:59,181 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:243:36: 2026-05-26T22:09:59,182 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:59,183 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:59,184 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:59,185 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:59,186 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, 2026-05-26T22:09:59,187 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:261:33: 2026-05-26T22:09:59,188 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:59,189 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:59,190 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:59,190 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:59,191 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, 2026-05-26T22:09:59,192 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:263:33: 2026-05-26T22:09:59,193 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:59,194 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:59,195 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:09:59,196 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:09:59,197 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, 2026-05-26T22:09:59,198 inlined from ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/qchemformat.cpp:265:33: 2026-05-26T22:09:59,199 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:09:59,199 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:09:59,200 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:01,476 [193/480] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o 2026-05-26T22:10:01,477 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:01,478 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/turbomoleformat.cpp:20: 2026-05-26T22:10:01,479 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:01,480 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:01,481 281 | return ! ( (*this) == other ); 2026-05-26T22:10:01,482 | ^~~~~ 2026-05-26T22:10:01,483 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:01,484 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:01,485 | ^~~~~~~~ 2026-05-26T22:10:02,295 [194/480] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o 2026-05-26T22:10:02,296 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:02,297 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:19: 2026-05-26T22:10:02,298 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:02,299 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:02,300 281 | return ! ( (*this) == other ); 2026-05-26T22:10:02,302 | ^~~~~ 2026-05-26T22:10:02,303 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:02,304 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:02,304 | ^~~~~~~~ 2026-05-26T22:10:02,306 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:10:02,307 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:10:02,308 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:10:02,308 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:17: 2026-05-26T22:10:02,309 /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]’: 2026-05-26T22:10:02,310 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:02,311 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:02,312 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,313 /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]’: 2026-05-26T22:10:02,313 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:02,314 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:10:02,315 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,316 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:951:35: 2026-05-26T22:10:02,319 /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 2026-05-26T22:10:02,322 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:02,323 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:02,324 /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]’: 2026-05-26T22:10:02,325 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:02,326 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:02,327 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,328 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,329 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, 2026-05-26T22:10:02,330 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:428:34: 2026-05-26T22:10:02,333 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,334 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,336 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,337 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,338 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, 2026-05-26T22:10:02,339 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:560:43: 2026-05-26T22:10:02,341 /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 2026-05-26T22:10:02,343 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,344 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,345 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,346 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, 2026-05-26T22:10:02,350 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:356:34: 2026-05-26T22:10:02,351 /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 2026-05-26T22:10:02,352 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,354 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,355 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,365 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, 2026-05-26T22:10:02,366 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:361:46: 2026-05-26T22:10:02,367 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,368 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,369 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,370 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,372 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, 2026-05-26T22:10:02,374 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:369:46: 2026-05-26T22:10:02,375 /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 2026-05-26T22:10:02,376 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,378 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,379 /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]’: 2026-05-26T22:10:02,381 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:02,387 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:02,388 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,388 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,389 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, 2026-05-26T22:10:02,390 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadNEBCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:865:35: 2026-05-26T22:10:02,391 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,392 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,393 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,393 In file included from /usr/include/c++/12/vector:63: 2026-05-26T22:10:02,396 /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*]’: 2026-05-26T22:10:02,397 /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 2026-05-26T22:10:02,400 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-05-26T22:10:02,401 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,402 /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 2026-05-26T22:10:02,403 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]’, 2026-05-26T22:10:02,404 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, 2026-05-26T22:10:02,405 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, 2026-05-26T22:10:02,407 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, 2026-05-26T22:10:02,409 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: 2026-05-26T22:10:02,411 /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 2026-05-26T22:10:02,412 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:02,413 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,417 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]’, 2026-05-26T22:10:02,426 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, 2026-05-26T22:10:02,427 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, 2026-05-26T22:10:02,428 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, 2026-05-26T22:10:02,429 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:918:15, 2026-05-26T22:10:02,430 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:925:41: 2026-05-26T22:10:02,431 /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 2026-05-26T22:10:02,432 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:02,432 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,433 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]’, 2026-05-26T22:10:02,434 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, 2026-05-26T22:10:02,435 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, 2026-05-26T22:10:02,436 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, 2026-05-26T22:10:02,437 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:918:15, 2026-05-26T22:10:02,437 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:925:41: 2026-05-26T22:10:02,438 /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 2026-05-26T22:10:02,439 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:02,440 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,441 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-05-26T22:10:02,442 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:492:31: 2026-05-26T22:10:02,442 /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 2026-05-26T22:10:02,443 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:02,444 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:02,445 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]’, 2026-05-26T22:10:02,446 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, 2026-05-26T22:10:02,447 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, 2026-05-26T22:10:02,448 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, 2026-05-26T22:10:02,449 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:503:43: 2026-05-26T22:10:02,449 /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 2026-05-26T22:10:02,450 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:02,451 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,452 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]’, 2026-05-26T22:10:02,453 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, 2026-05-26T22:10:02,454 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, 2026-05-26T22:10:02,455 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, 2026-05-26T22:10:02,455 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:512:46: 2026-05-26T22:10:02,456 /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 2026-05-26T22:10:02,457 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:02,458 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,459 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]’, 2026-05-26T22:10:02,460 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, 2026-05-26T22:10:02,460 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, 2026-05-26T22:10:02,461 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, 2026-05-26T22:10:02,467 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:514:47: 2026-05-26T22:10:02,467 /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 2026-05-26T22:10:02,468 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:02,469 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,470 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,472 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, 2026-05-26T22:10:02,472 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadGeometryOptimizationCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:616:35: 2026-05-26T22:10:02,473 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,474 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,475 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,476 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,477 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, 2026-05-26T22:10:02,477 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:670:31: 2026-05-26T22:10:02,478 /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 2026-05-26T22:10:02,479 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,480 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,481 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,482 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, 2026-05-26T22:10:02,483 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:679:32: 2026-05-26T22:10:02,484 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,485 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,486 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,487 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,488 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, 2026-05-26T22:10:02,489 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:683:32: 2026-05-26T22:10:02,490 /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 2026-05-26T22:10:02,491 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,492 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,493 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,494 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, 2026-05-26T22:10:02,497 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:687:32: 2026-05-26T22:10:02,497 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,498 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,499 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,500 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:02,501 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, 2026-05-26T22:10:02,501 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:695:37: 2026-05-26T22:10:02,502 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,503 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,504 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:02,505 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,506 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:702:38: 2026-05-26T22:10:02,517 /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 2026-05-26T22:10:02,517 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:02,518 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:02,519 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:02,520 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, 2026-05-26T22:10:02,521 inlined from ‘void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/nwchemformat.cpp:716:42: 2026-05-26T22:10:02,521 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:02,522 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:02,523 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,239 [195/480] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o 2026-05-26T22:10:05,240 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:05,241 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:19: 2026-05-26T22:10:05,242 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:05,243 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:05,244 281 | return ! ( (*this) == other ); 2026-05-26T22:10:05,245 | ^~~~~ 2026-05-26T22:10:05,246 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:05,247 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:05,248 | ^~~~~~~~ 2026-05-26T22:10:05,249 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:10:05,250 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:10:05,251 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:10:05,252 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:17: 2026-05-26T22:10:05,253 /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]’: 2026-05-26T22:10:05,254 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:05,255 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:05,257 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,258 /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]’: 2026-05-26T22:10:05,259 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:05,260 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,261 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, 2026-05-26T22:10:05,262 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:292:42: 2026-05-26T22:10:05,263 /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 2026-05-26T22:10:05,264 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,265 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,266 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,268 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, 2026-05-26T22:10:05,269 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:318:34: 2026-05-26T22:10:05,277 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:05,278 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,279 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,280 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,281 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, 2026-05-26T22:10:05,281 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:340:34: 2026-05-26T22:10:05,284 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:05,285 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,286 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,287 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,288 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, 2026-05-26T22:10:05,289 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:385:36: 2026-05-26T22:10:05,292 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:05,297 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,298 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,299 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,300 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, 2026-05-26T22:10:05,301 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:404:28: 2026-05-26T22:10:05,302 /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 2026-05-26T22:10:05,303 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,305 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,306 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,307 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, 2026-05-26T22:10:05,308 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:410:28: 2026-05-26T22:10:05,309 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:05,309 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,310 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,311 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,312 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, 2026-05-26T22:10:05,317 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:417:28: 2026-05-26T22:10:05,318 /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 2026-05-26T22:10:05,319 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,320 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,321 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:05,321 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, 2026-05-26T22:10:05,322 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:424:59: 2026-05-26T22:10:05,323 /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 2026-05-26T22:10:05,324 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,325 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:05,326 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:05,327 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, 2026-05-26T22:10:05,328 inlined from ‘virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mopacformat.cpp:441:34: 2026-05-26T22:10:05,329 /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 2026-05-26T22:10:05,330 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:05,331 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:08,476 [196/480] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o 2026-05-26T22:10:08,477 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:08,478 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/siestaformat.cpp:18: 2026-05-26T22:10:08,479 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:08,480 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:08,481 281 | return ! ( (*this) == other ); 2026-05-26T22:10:08,481 | ^~~~~ 2026-05-26T22:10:08,482 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:08,483 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:08,484 | ^~~~~~~~ 2026-05-26T22:10:09,218 [197/480] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o 2026-05-26T22:10:09,219 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:09,220 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/zindoformat.cpp:18: 2026-05-26T22:10:09,221 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:09,222 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:09,223 281 | return ! ( (*this) == other ); 2026-05-26T22:10:09,224 | ^~~~~ 2026-05-26T22:10:09,225 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:09,226 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:09,227 | ^~~~~~~~ 2026-05-26T22:10:09,283 [198/480] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o 2026-05-26T22:10:09,284 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:09,285 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xsfformat.cpp:18: 2026-05-26T22:10:09,286 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:09,287 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:09,288 281 | return ! ( (*this) == other ); 2026-05-26T22:10:09,289 | ^~~~~ 2026-05-26T22:10:09,293 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:09,294 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:09,295 | ^~~~~~~~ 2026-05-26T22:10:09,296 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:10:09,297 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:10:09,298 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:10:09,299 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xsfformat.cpp:16: 2026-05-26T22:10:09,300 /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]’: 2026-05-26T22:10:09,301 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:09,302 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:09,302 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:09,303 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:09,304 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, 2026-05-26T22:10:09,305 inlined from ‘virtual bool OpenBabel::XSFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xsfformat.cpp:119:36: 2026-05-26T22:10:09,306 /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 2026-05-26T22:10:09,307 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:09,308 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:09,309 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:09,310 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, 2026-05-26T22:10:09,311 inlined from ‘virtual bool OpenBabel::XSFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xsfformat.cpp:164:36: 2026-05-26T22:10:09,312 /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 2026-05-26T22:10:09,313 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:09,314 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:13,093 [199/480] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o 2026-05-26T22:10:16,172 [200/480] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o 2026-05-26T22:10:16,174 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:16,175 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/CSRformat.cpp:19: 2026-05-26T22:10:16,177 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:16,178 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:16,180 281 | return ! ( (*this) == other ); 2026-05-26T22:10:16,181 | ^~~~~ 2026-05-26T22:10:16,182 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:16,184 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:16,185 | ^~~~~~~~ 2026-05-26T22:10:16,989 [201/480] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o 2026-05-26T22:10:16,990 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:16,991 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/PQSformat.cpp:18: 2026-05-26T22:10:16,992 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:16,993 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:16,994 281 | return ! ( (*this) == other ); 2026-05-26T22:10:16,995 | ^~~~~ 2026-05-26T22:10:16,996 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:16,998 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:16,999 | ^~~~~~~~ 2026-05-26T22:10:21,575 [202/480] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o 2026-05-26T22:10:21,577 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:21,578 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:18: 2026-05-26T22:10:21,579 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:21,580 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:21,581 281 | return ! ( (*this) == other ); 2026-05-26T22:10:21,582 | ^~~~~ 2026-05-26T22:10:21,583 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:21,584 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:21,585 | ^~~~~~~~ 2026-05-26T22:10:21,587 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:10:21,588 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:10:21,588 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:10:21,589 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:16: 2026-05-26T22:10:21,590 /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]’: 2026-05-26T22:10:21,591 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:21,593 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:21,594 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,595 /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]’: 2026-05-26T22:10:21,596 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:21,597 /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]’: 2026-05-26T22:10:21,598 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:21,599 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:21,600 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, 2026-05-26T22:10:21,601 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:414:27: 2026-05-26T22:10:21,602 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,607 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,608 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,609 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:21,610 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, 2026-05-26T22:10:21,611 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:415:28: 2026-05-26T22:10:21,612 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,613 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,615 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,616 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:21,627 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, 2026-05-26T22:10:21,628 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:416:30: 2026-05-26T22:10:21,631 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,632 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,633 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,634 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:21,635 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, 2026-05-26T22:10:21,636 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:464:36: 2026-05-26T22:10:21,637 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,638 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,639 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,639 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:21,640 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, 2026-05-26T22:10:21,642 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:467:36: 2026-05-26T22:10:21,643 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,644 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,645 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,645 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:21,646 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, 2026-05-26T22:10:21,648 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:480:28: 2026-05-26T22:10:21,648 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,649 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,650 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,651 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:21,652 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, 2026-05-26T22:10:21,653 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:505:30: 2026-05-26T22:10:21,667 /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 2026-05-26T22:10:21,668 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,669 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:21,670 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:10:21,670 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::matrix3x3; _Alloc = std::allocator]’, 2026-05-26T22:10:21,671 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:526:30: 2026-05-26T22:10:21,672 /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 2026-05-26T22:10:21,673 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:21,674 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:21,675 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:21,676 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, 2026-05-26T22:10:21,677 inlined from ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/vaspformat.cpp:593:30: 2026-05-26T22:10:21,678 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:21,679 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:21,680 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:23,931 [203/480] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o 2026-05-26T22:10:23,932 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:23,933 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/alchemyformat.cpp:19: 2026-05-26T22:10:23,934 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:23,935 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:23,936 281 | return ! ( (*this) == other ); 2026-05-26T22:10:23,937 | ^~~~~ 2026-05-26T22:10:23,937 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:23,938 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:23,939 | ^~~~~~~~ 2026-05-26T22:10:24,023 [204/480] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o 2026-05-26T22:10:24,024 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:24,025 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/acrformat.cpp:24: 2026-05-26T22:10:24,026 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:24,027 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:24,028 281 | return ! ( (*this) == other ); 2026-05-26T22:10:24,028 | ^~~~~ 2026-05-26T22:10:24,029 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:24,030 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:24,031 | ^~~~~~~~ 2026-05-26T22:10:28,469 [205/480] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o 2026-05-26T22:10:28,469 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:28,470 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/amberformat.cpp:19: 2026-05-26T22:10:28,471 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:28,472 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:28,473 281 | return ! ( (*this) == other ); 2026-05-26T22:10:28,474 | ^~~~~ 2026-05-26T22:10:28,475 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:28,476 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:28,477 | ^~~~~~~~ 2026-05-26T22:10:33,255 [206/480] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o 2026-05-26T22:10:33,256 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:33,257 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/balstformat.cpp:19: 2026-05-26T22:10:33,258 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:33,259 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:33,260 281 | return ! ( (*this) == other ); 2026-05-26T22:10:33,261 | ^~~~~ 2026-05-26T22:10:33,262 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:33,263 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:33,264 | ^~~~~~~~ 2026-05-26T22:10:34,763 [207/480] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o 2026-05-26T22:10:34,764 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:34,766 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/bgfformat.cpp:19: 2026-05-26T22:10:34,767 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:34,768 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:34,769 281 | return ! ( (*this) == other ); 2026-05-26T22:10:34,770 | ^~~~~ 2026-05-26T22:10:34,771 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:34,772 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:34,773 | ^~~~~~~~ 2026-05-26T22:10:35,761 [208/480] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o 2026-05-26T22:10:35,762 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:35,763 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/boxformat.cpp:19: 2026-05-26T22:10:35,764 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:35,765 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:35,765 281 | return ! ( (*this) == other ); 2026-05-26T22:10:35,767 | ^~~~~ 2026-05-26T22:10:35,768 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:35,769 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:35,770 | ^~~~~~~~ 2026-05-26T22:10:40,811 [209/480] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o 2026-05-26T22:10:40,812 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:40,814 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cacheformat.cpp:18: 2026-05-26T22:10:40,815 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:40,816 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:40,817 281 | return ! ( (*this) == other ); 2026-05-26T22:10:40,818 | ^~~~~ 2026-05-26T22:10:40,819 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:40,820 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:40,821 | ^~~~~~~~ 2026-05-26T22:10:44,485 [210/480] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o 2026-05-26T22:10:44,486 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:44,487 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cacaoformat.cpp:19: 2026-05-26T22:10:44,488 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:44,489 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:44,490 281 | return ! ( (*this) == other ); 2026-05-26T22:10:44,491 | ^~~~~ 2026-05-26T22:10:44,491 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:44,492 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:44,493 | ^~~~~~~~ 2026-05-26T22:10:44,797 [211/480] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o 2026-05-26T22:10:44,798 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:44,798 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/MCDLformat.cpp:23: 2026-05-26T22:10:44,799 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:44,800 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:44,801 281 | return ! ( (*this) == other ); 2026-05-26T22:10:44,802 | ^~~~~ 2026-05-26T22:10:44,802 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:44,803 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:44,804 | ^~~~~~~~ 2026-05-26T22:10:46,286 [212/480] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o 2026-05-26T22:10:46,287 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:46,289 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/carformat.cpp:20: 2026-05-26T22:10:46,290 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:46,292 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:46,294 281 | return ! ( (*this) == other ); 2026-05-26T22:10:46,296 | ^~~~~ 2026-05-26T22:10:46,297 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:46,299 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:46,301 | ^~~~~~~~ 2026-05-26T22:10:47,297 [213/480] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o 2026-05-26T22:10:47,297 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:47,298 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cccformat.cpp:19: 2026-05-26T22:10:47,299 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:47,301 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:47,302 281 | return ! ( (*this) == other ); 2026-05-26T22:10:47,303 | ^~~~~ 2026-05-26T22:10:47,304 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:47,305 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:47,307 | ^~~~~~~~ 2026-05-26T22:10:51,198 [214/480] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o 2026-05-26T22:10:51,199 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:10:51,200 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/chem3dformat.cpp:17: 2026-05-26T22:10:51,201 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:51,202 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:51,202 281 | return ! ( (*this) == other ); 2026-05-26T22:10:51,203 | ^~~~~ 2026-05-26T22:10:51,204 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:51,205 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:51,207 | ^~~~~~~~ 2026-05-26T22:10:54,706 [215/480] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o 2026-05-26T22:10:54,707 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:54,708 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/chemdrawct.cpp:18: 2026-05-26T22:10:54,709 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:54,710 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:54,712 281 | return ! ( (*this) == other ); 2026-05-26T22:10:54,713 | ^~~~~ 2026-05-26T22:10:54,713 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:54,714 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:54,715 | ^~~~~~~~ 2026-05-26T22:10:54,967 [216/480] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o 2026-05-26T22:10:54,968 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:54,969 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:16: 2026-05-26T22:10:54,971 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:54,972 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:54,974 281 | return ! ( (*this) == other ); 2026-05-26T22:10:54,975 | ^~~~~ 2026-05-26T22:10:54,976 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:54,977 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:54,978 | ^~~~~~~~ 2026-05-26T22:10:54,979 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:10:54,986 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:10:54,987 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:10:54,988 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:14: 2026-05-26T22:10:54,989 /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]’: 2026-05-26T22:10:54,990 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:54,991 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:54,992 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:54,994 /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]’: 2026-05-26T22:10:54,995 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:54,996 /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]’: 2026-05-26T22:10:54,997 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:54,998 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:54,999 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, 2026-05-26T22:10:55,000 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:1090:30: 2026-05-26T22:10:55,001 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:55,002 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:55,003 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,004 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:10:55,005 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:55,007 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:1114:36: 2026-05-26T22:10:55,008 /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 2026-05-26T22:10:55,009 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:55,010 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:55,015 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:55,016 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, 2026-05-26T22:10:55,017 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:1115:36: 2026-05-26T22:10:55,018 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:55,019 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:55,020 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,021 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:55,022 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, 2026-05-26T22:10:55,023 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:970:30: 2026-05-26T22:10:55,024 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:55,025 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:55,026 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,027 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:55,028 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:991:36: 2026-05-26T22:10:55,029 /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 2026-05-26T22:10:55,030 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:55,032 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:55,034 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:55,035 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, 2026-05-26T22:10:55,037 inlined from ‘bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:992:36: 2026-05-26T22:10:55,038 /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 2026-05-26T22:10:55,042 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:55,043 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,044 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:10:55,045 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:31: 2026-05-26T22:10:55,046 /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> >]’: 2026-05-26T22:10:55,047 /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 2026-05-26T22:10:55,051 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:10:55,052 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,054 In file included from /usr/include/c++/12/map:61: 2026-05-26T22:10:55,056 /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> >]’: 2026-05-26T22:10:55,057 /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 2026-05-26T22:10:55,058 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:10:55,059 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,066 512 | std::tuple(__k), 2026-05-26T22:10:55,067 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,068 513 | std::tuple<>()); 2026-05-26T22:10:55,070 | ~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,071 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> >]’, 2026-05-26T22:10:55,072 inlined from ‘bool OpenBabel::GAMESSUKFormat::ReadVariables(std::istream&, double, std::string)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gamessukformat.cpp:480:26: 2026-05-26T22:10:55,073 /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 2026-05-26T22:10:55,074 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:10:55,075 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,077 512 | std::tuple(__k), 2026-05-26T22:10:55,087 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:55,090 513 | std::tuple<>()); 2026-05-26T22:10:55,092 | ~~~~~~~~~~~~~~~ 2026-05-26T22:10:58,949 [217/480] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o 2026-05-26T22:10:58,950 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:58,951 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:20: 2026-05-26T22:10:58,952 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:58,953 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:58,954 281 | return ! ( (*this) == other ); 2026-05-26T22:10:58,955 | ^~~~~ 2026-05-26T22:10:58,957 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:58,958 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:58,959 | ^~~~~~~~ 2026-05-26T22:10:58,960 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:10:58,961 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:10:58,962 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:10:58,963 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:18: 2026-05-26T22:10:58,964 /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]’: 2026-05-26T22:10:58,965 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:58,966 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:58,967 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:58,968 /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]’: 2026-05-26T22:10:58,969 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:58,970 /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]’: 2026-05-26T22:10:58,976 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:58,977 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:58,987 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:58,987 /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]’: 2026-05-26T22:10:58,988 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:10:58,989 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:10:58,990 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:58,991 In file included from /usr/include/c++/12/vector:63: 2026-05-26T22:10:58,992 /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*]’: 2026-05-26T22:10:58,993 /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 2026-05-26T22:10:58,993 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-05-26T22:10:58,994 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:10:58,995 /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 2026-05-26T22:10:58,996 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]’, 2026-05-26T22:10:58,997 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, 2026-05-26T22:10:58,998 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, 2026-05-26T22:10:59,000 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: 2026-05-26T22:10:59,001 /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 2026-05-26T22:10:59,002 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:59,003 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,017 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]’, 2026-05-26T22:10:59,027 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, 2026-05-26T22:10:59,028 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, 2026-05-26T22:10:59,029 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, 2026-05-26T22:10:59,030 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: 2026-05-26T22:10:59,031 /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 2026-05-26T22:10:59,032 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:59,033 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,035 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]’, 2026-05-26T22:10:59,036 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, 2026-05-26T22:10:59,037 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, 2026-05-26T22:10:59,038 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, 2026-05-26T22:10:59,039 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:918:15, 2026-05-26T22:10:59,040 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:925:41: 2026-05-26T22:10:59,041 /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 2026-05-26T22:10:59,042 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:59,043 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,044 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]’, 2026-05-26T22:10:59,045 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, 2026-05-26T22:10:59,046 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, 2026-05-26T22:10:59,047 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, 2026-05-26T22:10:59,048 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:918:15, 2026-05-26T22:10:59,049 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:925:41: 2026-05-26T22:10:59,050 /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 2026-05-26T22:10:59,051 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:10:59,052 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,053 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,054 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, 2026-05-26T22:10:59,055 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:280:30: 2026-05-26T22:10:59,056 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,057 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,058 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,060 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,061 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, 2026-05-26T22:10:59,062 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:281:35: 2026-05-26T22:10:59,063 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,064 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,065 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,066 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,066 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, 2026-05-26T22:10:59,067 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:282:35: 2026-05-26T22:10:59,068 /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 2026-05-26T22:10:59,069 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,070 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,071 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,072 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, 2026-05-26T22:10:59,073 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:361:41: 2026-05-26T22:10:59,074 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,075 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,076 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,078 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,079 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, 2026-05-26T22:10:59,080 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:388:36: 2026-05-26T22:10:59,081 /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 2026-05-26T22:10:59,082 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,083 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,084 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,085 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, 2026-05-26T22:10:59,086 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:393:36: 2026-05-26T22:10:59,097 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,097 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,098 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,099 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,100 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, 2026-05-26T22:10:59,101 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:398:36: 2026-05-26T22:10:59,102 /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 2026-05-26T22:10:59,103 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,104 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,105 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:59,106 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, 2026-05-26T22:10:59,107 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:402:41: 2026-05-26T22:10:59,108 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,109 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,110 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,111 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,113 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, 2026-05-26T22:10:59,114 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:444:38: 2026-05-26T22:10:59,115 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,116 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,117 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,118 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,119 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, 2026-05-26T22:10:59,121 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:445:38: 2026-05-26T22:10:59,121 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,122 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,123 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,124 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,125 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, 2026-05-26T22:10:59,126 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:462:42: 2026-05-26T22:10:59,127 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,128 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,129 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,130 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,131 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, 2026-05-26T22:10:59,132 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:482:35: 2026-05-26T22:10:59,133 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,134 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,135 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,136 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,137 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, 2026-05-26T22:10:59,139 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:483:39: 2026-05-26T22:10:59,140 /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 2026-05-26T22:10:59,141 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,142 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,143 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,144 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, 2026-05-26T22:10:59,147 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:484:36: 2026-05-26T22:10:59,148 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,149 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,150 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,151 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,152 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, 2026-05-26T22:10:59,167 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:503:35: 2026-05-26T22:10:59,168 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,168 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,169 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,170 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,171 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, 2026-05-26T22:10:59,172 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:504:39: 2026-05-26T22:10:59,173 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,174 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,175 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,176 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,177 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, 2026-05-26T22:10:59,178 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:505:36: 2026-05-26T22:10:59,179 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,181 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,182 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,183 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,184 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, 2026-05-26T22:10:59,185 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:525:37: 2026-05-26T22:10:59,186 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,187 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,188 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,189 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,190 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, 2026-05-26T22:10:59,191 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:526:39: 2026-05-26T22:10:59,192 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,193 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,194 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,195 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:10:59,196 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, 2026-05-26T22:10:59,197 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:527:44: 2026-05-26T22:10:59,198 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,199 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,200 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,201 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:10:59,202 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, 2026-05-26T22:10:59,203 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:544:42: 2026-05-26T22:10:59,207 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:10:59,208 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:10:59,209 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:10:59,210 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:10:59,211 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-05-26T22:10:59,212 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:611:36: 2026-05-26T22:10:59,213 /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 2026-05-26T22:10:59,214 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:59,215 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:59,216 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator]’, 2026-05-26T22:10:59,227 inlined from ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/orcaformat.cpp:622:39: 2026-05-26T22:10:59,228 /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 2026-05-26T22:10:59,228 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:10:59,229 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:10:59,667 [218/480] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o 2026-05-26T22:10:59,668 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:10:59,669 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/chemtoolformat.cpp:21: 2026-05-26T22:10:59,670 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:10:59,671 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:10:59,672 281 | return ! ( (*this) == other ); 2026-05-26T22:10:59,673 | ^~~~~ 2026-05-26T22:10:59,674 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:10:59,675 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:10:59,676 | ^~~~~~~~ 2026-05-26T22:11:05,690 [219/480] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o 2026-05-26T22:11:05,691 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:05,692 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/chemdrawcdx.cpp:19: 2026-05-26T22:11:05,693 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:05,694 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:05,695 281 | return ! ( (*this) == other ); 2026-05-26T22:11:05,696 | ^~~~~ 2026-05-26T22:11:05,697 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:05,697 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:05,698 | ^~~~~~~~ 2026-05-26T22:11:07,303 [220/480] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o 2026-05-26T22:11:07,304 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:07,304 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cssrformat.cpp:19: 2026-05-26T22:11:07,306 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:07,306 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:07,307 281 | return ! ( (*this) == other ); 2026-05-26T22:11:07,308 | ^~~~~ 2026-05-26T22:11:07,309 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:07,310 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:07,311 | ^~~~~~~~ 2026-05-26T22:11:07,474 [221/480] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o 2026-05-26T22:11:07,474 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:07,475 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/crkformat.cpp:18: 2026-05-26T22:11:07,476 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:07,477 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:07,479 281 | return ! ( (*this) == other ); 2026-05-26T22:11:07,480 | ^~~~~ 2026-05-26T22:11:07,481 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:07,482 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:07,483 | ^~~~~~~~ 2026-05-26T22:11:11,008 [222/480] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o 2026-05-26T22:11:11,009 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:11,010 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cofformat.cpp:23: 2026-05-26T22:11:11,011 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:11,013 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:11,014 281 | return ! ( (*this) == other ); 2026-05-26T22:11:11,015 | ^~~~~ 2026-05-26T22:11:11,016 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:11,017 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:11,018 | ^~~~~~~~ 2026-05-26T22:11:18,583 [223/480] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o 2026-05-26T22:11:18,584 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:18,585 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/chemkinformat.cpp:26: 2026-05-26T22:11:18,585 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:18,586 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:18,587 281 | return ! ( (*this) == other ); 2026-05-26T22:11:18,588 | ^~~~~ 2026-05-26T22:11:18,589 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:18,590 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:18,591 | ^~~~~~~~ 2026-05-26T22:11:20,181 [224/480] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o 2026-05-26T22:11:20,183 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:20,184 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastaformat.cpp:23: 2026-05-26T22:11:20,185 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:20,186 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:20,187 281 | return ! ( (*this) == other ); 2026-05-26T22:11:20,189 | ^~~~~ 2026-05-26T22:11:20,190 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:20,191 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:20,192 | ^~~~~~~~ 2026-05-26T22:11:21,296 [225/480] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o 2026-05-26T22:11:21,297 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:21,298 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:11:21,299 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:25: 2026-05-26T22:11:21,300 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:21,301 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:21,302 281 | return ! ( (*this) == other ); 2026-05-26T22:11:21,303 | ^~~~~ 2026-05-26T22:11:21,304 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:21,305 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:21,306 | ^~~~~~~~ 2026-05-26T22:11:21,307 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:11:21,308 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:11:21,309 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:20: 2026-05-26T22:11:21,310 /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]’: 2026-05-26T22:11:21,311 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:11:21,312 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:11:21,313 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:21,314 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:11:21,315 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:11:21,316 inlined from ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector&, OpenBabel::OBMol, int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:695:28: 2026-05-26T22:11:21,317 /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 2026-05-26T22:11:21,318 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:11:21,319 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:11:21,327 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:11:21,337 inlined from ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector&, OpenBabel::OBMol, int)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:698:28: 2026-05-26T22:11:21,338 /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 2026-05-26T22:11:21,339 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:11:21,340 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:11:21,341 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:11:21,342 inlined from ‘bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector&, const std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:644:30: 2026-05-26T22:11:21,343 /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 2026-05-26T22:11:21,344 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:11:21,345 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:11:21,347 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:11:21,347 inlined from ‘bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector&, const std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:646:32: 2026-05-26T22:11:21,348 /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 2026-05-26T22:11:21,349 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:11:21,350 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:11:21,351 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:11:21,352 inlined from ‘bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector&, const std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:679:26: 2026-05-26T22:11:21,353 /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 2026-05-26T22:11:21,355 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:11:21,367 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:11:21,377 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:11:21,378 inlined from ‘virtual bool OpenBabel::FastSearchFormat::ReadChemObject(OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fastsearchformat.cpp:226:37: 2026-05-26T22:11:21,379 /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 2026-05-26T22:11:21,380 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:11:21,381 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:11:24,498 [226/480] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o 2026-05-26T22:11:24,499 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:24,501 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/exyzformat.cpp:20: 2026-05-26T22:11:24,502 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:24,503 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:24,504 281 | return ! ( (*this) == other ); 2026-05-26T22:11:24,505 | ^~~~~ 2026-05-26T22:11:24,506 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:24,507 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:24,508 | ^~~~~~~~ 2026-05-26T22:11:25,923 [227/480] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o 2026-05-26T22:11:25,924 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:25,925 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/featformat.cpp:19: 2026-05-26T22:11:25,927 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:25,928 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:25,929 281 | return ! ( (*this) == other ); 2026-05-26T22:11:25,930 | ^~~~~ 2026-05-26T22:11:25,931 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:25,932 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:25,933 | ^~~~~~~~ 2026-05-26T22:11:26,473 [228/480] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o 2026-05-26T22:11:26,474 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:26,474 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/dlpolyformat.cpp:16: 2026-05-26T22:11:26,476 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:26,477 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:26,478 281 | return ! ( (*this) == other ); 2026-05-26T22:11:26,480 | ^~~~~ 2026-05-26T22:11:26,481 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:26,482 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:26,483 | ^~~~~~~~ 2026-05-26T22:11:26,485 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:11:26,486 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:11:26,487 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:11:26,488 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/dlpolyformat.cpp:14: 2026-05-26T22:11:26,489 /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]’: 2026-05-26T22:11:26,490 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:11:26,491 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:11:26,492 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:26,493 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:26,494 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, 2026-05-26T22:11:26,495 inlined from ‘bool OpenBabel::DlpolyInputReader::ReadAtom(std::istream&, OpenBabel::OBMol&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/dlpolyformat.cpp:253:25: 2026-05-26T22:11:26,497 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:26,501 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:26,502 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:27,988 [229/480] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o 2026-05-26T22:11:27,989 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:27,990 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fhformat.cpp:19: 2026-05-26T22:11:27,991 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:27,993 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:27,994 281 | return ! ( (*this) == other ); 2026-05-26T22:11:27,995 | ^~~~~ 2026-05-26T22:11:27,996 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:27,997 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:27,998 | ^~~~~~~~ 2026-05-26T22:11:32,213 [230/480] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o 2026-05-26T22:11:32,214 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:32,215 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fingerprintformat.cpp:22: 2026-05-26T22:11:32,216 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:32,217 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:32,219 281 | return ! ( (*this) == other ); 2026-05-26T22:11:32,220 | ^~~~~ 2026-05-26T22:11:32,221 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:32,222 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:32,223 | ^~~~~~~~ 2026-05-26T22:11:32,543 [231/480] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o 2026-05-26T22:11:32,544 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:32,545 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/fpsformat.cpp:22: 2026-05-26T22:11:32,546 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:32,547 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:32,549 281 | return ! ( (*this) == other ); 2026-05-26T22:11:32,550 | ^~~~~ 2026-05-26T22:11:32,551 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:32,552 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:32,553 | ^~~~~~~~ 2026-05-26T22:11:33,996 [232/480] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o 2026-05-26T22:11:33,997 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:33,998 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/gromos96format.cpp:56: 2026-05-26T22:11:33,999 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:34,000 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:34,001 281 | return ! ( (*this) == other ); 2026-05-26T22:11:34,002 | ^~~~~ 2026-05-26T22:11:34,004 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:34,005 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:34,006 | ^~~~~~~~ 2026-05-26T22:11:35,085 [233/480] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o 2026-05-26T22:11:35,086 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:35,087 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cifformat.cpp:26: 2026-05-26T22:11:35,088 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:35,089 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:35,090 281 | return ! ( (*this) == other ); 2026-05-26T22:11:35,092 | ^~~~~ 2026-05-26T22:11:35,093 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:35,094 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:35,097 | ^~~~~~~~ 2026-05-26T22:11:35,098 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:11:35,099 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:31, 2026-05-26T22:11:35,100 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:11:35,101 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cifformat.cpp:24: 2026-05-26T22:11:35,102 /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> >]’: 2026-05-26T22:11:35,103 /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 2026-05-26T22:11:35,104 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:11:35,105 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,106 In file included from /usr/include/c++/12/map:61: 2026-05-26T22:11:35,108 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> >]’, 2026-05-26T22:11:35,109 inlined from ‘void OpenBabel::CIFData::ExtractCharges()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cifformat.cpp:892:39: 2026-05-26T22:11:35,110 /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 2026-05-26T22:11:35,110 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:35,111 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,113 512 | std::tuple(__k), 2026-05-26T22:11:35,114 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,115 513 | std::tuple<>()); 2026-05-26T22:11:35,116 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,116 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> >]’, 2026-05-26T22:11:35,127 inlined from ‘void OpenBabel::CIFData::ExtractCharges()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/cifformat.cpp:903:37: 2026-05-26T22:11:35,137 /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 2026-05-26T22:11:35,138 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:35,139 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,140 512 | std::tuple(__k), 2026-05-26T22:11:35,141 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,141 513 | std::tuple<>()); 2026-05-26T22:11:35,142 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:35,545 [234/480] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o 2026-05-26T22:11:35,546 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:35,547 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/freefracformat.cpp:18: 2026-05-26T22:11:35,548 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:35,549 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:35,550 281 | return ! ( (*this) == other ); 2026-05-26T22:11:35,551 | ^~~~~ 2026-05-26T22:11:35,552 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:35,552 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:35,553 | ^~~~~~~~ 2026-05-26T22:11:36,963 [235/480] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o 2026-05-26T22:11:36,964 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:36,965 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/ghemicalformat.cpp:19: 2026-05-26T22:11:36,966 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:36,967 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:36,968 281 | return ! ( (*this) == other ); 2026-05-26T22:11:36,969 | ^~~~~ 2026-05-26T22:11:36,970 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:36,971 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:36,972 | ^~~~~~~~ 2026-05-26T22:11:47,437 [236/480] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o 2026-05-26T22:11:47,437 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:47,438 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/groformat.cpp:18: 2026-05-26T22:11:47,439 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:47,440 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:47,441 281 | return ! ( (*this) == other ); 2026-05-26T22:11:47,442 | ^~~~~ 2026-05-26T22:11:47,443 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:47,444 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:47,445 | ^~~~~~~~ 2026-05-26T22:11:47,806 [237/480] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o 2026-05-26T22:11:47,807 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:47,808 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lmpdatformat.cpp:17: 2026-05-26T22:11:47,809 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:47,810 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:47,812 281 | return ! ( (*this) == other ); 2026-05-26T22:11:47,813 | ^~~~~ 2026-05-26T22:11:47,814 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:47,815 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:47,815 | ^~~~~~~~ 2026-05-26T22:11:47,817 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:11:47,818 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:31, 2026-05-26T22:11:47,819 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:11:47,820 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lmpdatformat.cpp:15: 2026-05-26T22:11:47,820 /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> >]’: 2026-05-26T22:11:47,822 /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 2026-05-26T22:11:47,823 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:11:47,824 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,825 In file included from /usr/include/c++/12/map:61: 2026-05-26T22:11:47,829 /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> >]’: 2026-05-26T22:11:47,830 /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 2026-05-26T22:11:47,832 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:47,833 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,834 512 | std::tuple(__k), 2026-05-26T22:11:47,834 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,836 513 | std::tuple<>()); 2026-05-26T22:11:47,836 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,837 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> >]’, 2026-05-26T22:11:47,838 inlined from ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lmpdatformat.cpp:104:21: 2026-05-26T22:11:47,839 /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 2026-05-26T22:11:47,840 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:47,841 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,842 512 | std::tuple(__k), 2026-05-26T22:11:47,843 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,844 513 | std::tuple<>()); 2026-05-26T22:11:47,845 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,847 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> >]’, 2026-05-26T22:11:47,848 inlined from ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lmpdatformat.cpp:374:28: 2026-05-26T22:11:47,849 /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 2026-05-26T22:11:47,850 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:47,851 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,854 512 | std::tuple(__k), 2026-05-26T22:11:47,855 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:47,856 513 | std::tuple<>()); 2026-05-26T22:11:47,857 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:48,065 [238/480] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o 2026-05-26T22:11:48,066 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:48,067 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mmodformat.cpp:19: 2026-05-26T22:11:48,068 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:48,069 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:48,070 281 | return ! ( (*this) == other ); 2026-05-26T22:11:48,071 | ^~~~~ 2026-05-26T22:11:48,072 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:48,073 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:48,074 | ^~~~~~~~ 2026-05-26T22:11:52,571 [239/480] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o 2026-05-26T22:11:52,573 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:52,574 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:17: 2026-05-26T22:11:52,575 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:52,576 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:52,577 281 | return ! ( (*this) == other ); 2026-05-26T22:11:52,578 | ^~~~~ 2026-05-26T22:11:52,579 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:52,580 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:52,581 | ^~~~~~~~ 2026-05-26T22:11:52,582 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:11:52,583 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:11:52,584 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:11:52,585 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:15: 2026-05-26T22:11:52,586 /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]’: 2026-05-26T22:11:52,587 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:11:52,588 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:11:52,589 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,590 /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]’: 2026-05-26T22:11:52,591 /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 2026-05-26T22:11:52,592 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,593 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,594 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:52,595 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, 2026-05-26T22:11:52,596 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:306:14: 2026-05-26T22:11:52,607 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:52,608 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,608 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,609 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:52,611 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, 2026-05-26T22:11:52,612 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:307:14: 2026-05-26T22:11:52,613 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:52,614 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,615 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,616 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:52,617 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, 2026-05-26T22:11:52,618 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:308:14: 2026-05-26T22:11:52,619 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:52,620 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,621 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,622 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:52,623 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, 2026-05-26T22:11:52,624 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:363:18: 2026-05-26T22:11:52,625 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:52,626 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,627 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,628 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:52,629 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, 2026-05-26T22:11:52,630 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:364:18: 2026-05-26T22:11:52,631 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:52,632 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,633 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:52,634 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:11:52,636 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, 2026-05-26T22:11:52,637 inlined from ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/lpmdformat.cpp:365:18: 2026-05-26T22:11:52,638 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:11:52,639 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:11:52,640 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,033 [240/480] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o 2026-05-26T22:11:56,034 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:56,035 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdffformat.cpp:19: 2026-05-26T22:11:56,036 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:56,037 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:56,039 281 | return ! ( (*this) == other ); 2026-05-26T22:11:56,039 | ^~~~~ 2026-05-26T22:11:56,040 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:56,041 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:56,042 | ^~~~~~~~ 2026-05-26T22:11:56,043 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:11:56,044 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:31, 2026-05-26T22:11:56,045 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:11:56,046 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdffformat.cpp:17: 2026-05-26T22:11:56,047 /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> >]’: 2026-05-26T22:11:56,048 /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 2026-05-26T22:11:56,049 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:11:56,051 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,052 In file included from /usr/include/c++/12/map:61: 2026-05-26T22:11:56,053 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> >]’, 2026-05-26T22:11:56,054 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdffformat.cpp:477:23: 2026-05-26T22:11:56,056 /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 2026-05-26T22:11:56,057 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:56,057 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,058 512 | std::tuple(__k), 2026-05-26T22:11:56,059 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,061 513 | std::tuple<>()); 2026-05-26T22:11:56,062 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,063 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> >]’, 2026-05-26T22:11:56,064 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdffformat.cpp:479:26: 2026-05-26T22:11:56,064 /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 2026-05-26T22:11:56,065 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:56,066 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,067 512 | std::tuple(__k), 2026-05-26T22:11:56,068 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,069 513 | std::tuple<>()); 2026-05-26T22:11:56,070 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,071 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> >]’, 2026-05-26T22:11:56,072 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdffformat.cpp:480:25: 2026-05-26T22:11:56,087 /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 2026-05-26T22:11:56,088 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:56,089 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,090 512 | std::tuple(__k), 2026-05-26T22:11:56,091 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,092 513 | std::tuple<>()); 2026-05-26T22:11:56,093 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,094 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> >]’, 2026-05-26T22:11:56,095 inlined from ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mdffformat.cpp:512:53: 2026-05-26T22:11:56,097 /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 2026-05-26T22:11:56,098 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:56,098 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,099 512 | std::tuple(__k), 2026-05-26T22:11:56,100 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,101 513 | std::tuple<>()); 2026-05-26T22:11:56,102 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,203 [241/480] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o 2026-05-26T22:11:56,204 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:56,205 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mpdformat.cpp:24: 2026-05-26T22:11:56,206 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:56,207 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:56,209 281 | return ! ( (*this) == other ); 2026-05-26T22:11:56,213 | ^~~~~ 2026-05-26T22:11:56,214 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:56,215 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:56,216 | ^~~~~~~~ 2026-05-26T22:11:56,376 [242/480] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o 2026-05-26T22:11:56,377 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:56,378 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mmcifformat.cpp:21: 2026-05-26T22:11:56,379 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:56,380 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:56,381 281 | return ! ( (*this) == other ); 2026-05-26T22:11:56,382 | ^~~~~ 2026-05-26T22:11:56,383 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:56,384 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:56,385 | ^~~~~~~~ 2026-05-26T22:11:56,387 In file included from /usr/include/c++/12/map:60, 2026-05-26T22:11:56,389 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:31, 2026-05-26T22:11:56,389 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:11:56,390 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mmcifformat.cpp:19: 2026-05-26T22:11:56,391 /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> >]’: 2026-05-26T22:11:56,392 /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 2026-05-26T22:11:56,393 2457 | _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>:: 2026-05-26T22:11:56,394 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,395 In file included from /usr/include/c++/12/map:61: 2026-05-26T22:11:56,397 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> >]’, 2026-05-26T22:11:56,398 inlined from ‘virtual bool OpenBabel::mmCIFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mmcifformat.cpp:862:41: 2026-05-26T22:11:56,400 /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 2026-05-26T22:11:56,401 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:56,402 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,403 512 | std::tuple(__k), 2026-05-26T22:11:56,407 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,408 513 | std::tuple<>()); 2026-05-26T22:11:56,409 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,410 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> >]’, 2026-05-26T22:11:56,411 inlined from ‘virtual bool OpenBabel::mmCIFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mmcifformat.cpp:1002:66: 2026-05-26T22:11:56,412 /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 2026-05-26T22:11:56,413 511 | __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct, 2026-05-26T22:11:56,414 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,415 512 | std::tuple(__k), 2026-05-26T22:11:56,417 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,418 513 | std::tuple<>()); 2026-05-26T22:11:56,419 | ~~~~~~~~~~~~~~~ 2026-05-26T22:11:56,683 [243/480] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o 2026-05-26T22:11:56,684 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:11:56,685 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/mpqcformat.cpp:18: 2026-05-26T22:11:56,685 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:11:56,686 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:11:56,687 281 | return ! ( (*this) == other ); 2026-05-26T22:11:56,688 | ^~~~~ 2026-05-26T22:11:56,689 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:11:56,690 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:11:56,690 | ^~~~~~~~ 2026-05-26T22:12:02,704 [244/480] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o 2026-05-26T22:12:02,705 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:02,706 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/msiformat.cpp:17: 2026-05-26T22:12:02,707 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:02,708 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:02,709 281 | return ! ( (*this) == other ); 2026-05-26T22:12:02,710 | ^~~~~ 2026-05-26T22:12:02,711 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:02,712 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:02,713 | ^~~~~~~~ 2026-05-26T22:12:03,693 [245/480] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o 2026-05-26T22:12:03,694 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:12:03,696 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:12:03,697 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:12:03,698 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:12:03,698 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/outformat.cpp:17: 2026-05-26T22:12:03,699 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:03,700 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:03,701 281 | return ! ( (*this) == other ); 2026-05-26T22:12:03,702 | ^~~~~ 2026-05-26T22:12:03,703 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:03,704 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:03,705 | ^~~~~~~~ 2026-05-26T22:12:03,731 [246/480] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o 2026-05-26T22:12:03,732 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:03,733 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:38: 2026-05-26T22:12:03,734 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:03,735 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:03,736 281 | return ! ( (*this) == other ); 2026-05-26T22:12:03,738 | ^~~~~ 2026-05-26T22:12:03,739 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:03,740 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:03,741 | ^~~~~~~~ 2026-05-26T22:12:03,742 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:03,743 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:29: 2026-05-26T22:12:03,744 /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]’: 2026-05-26T22:12:03,745 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:03,746 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:03,747 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:03,748 /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]’: 2026-05-26T22:12:03,749 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:03,751 /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]’: 2026-05-26T22:12:03,751 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:03,752 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:12:03,753 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:03,754 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:198:33: 2026-05-26T22:12:03,756 /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 2026-05-26T22:12:03,757 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:03,758 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:03,759 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:03,760 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:214:38: 2026-05-26T22:12:03,761 /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 2026-05-26T22:12:03,762 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:03,763 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:03,764 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:03,765 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:246:36: 2026-05-26T22:12:03,766 /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 2026-05-26T22:12:03,767 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:03,768 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:03,769 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:03,770 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:257:36: 2026-05-26T22:12:03,771 /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 2026-05-26T22:12:03,772 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:03,773 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:03,774 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:03,775 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, 2026-05-26T22:12:03,777 inlined from ‘virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/moldenformat.cpp:296:32: 2026-05-26T22:12:03,778 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:03,781 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:03,782 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:04,211 [247/480] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o 2026-05-26T22:12:04,212 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:04,212 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pcmodelformat.cpp:18: 2026-05-26T22:12:04,213 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:04,214 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:04,215 281 | return ! ( (*this) == other ); 2026-05-26T22:12:04,216 | ^~~~~ 2026-05-26T22:12:04,217 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:04,218 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:04,219 | ^~~~~~~~ 2026-05-26T22:12:04,765 [248/480] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o 2026-05-26T22:12:04,766 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:04,767 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/msmsformat.cpp:30: 2026-05-26T22:12:04,768 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:04,769 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:04,770 281 | return ! ( (*this) == other ); 2026-05-26T22:12:04,771 | ^~~~~ 2026-05-26T22:12:04,772 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:04,774 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:04,775 | ^~~~~~~~ 2026-05-26T22:12:08,345 [249/480] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o 2026-05-26T22:12:08,347 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:08,348 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/opendxformat.cpp:26: 2026-05-26T22:12:08,349 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:08,350 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:08,351 281 | return ! ( (*this) == other ); 2026-05-26T22:12:08,352 | ^~~~~ 2026-05-26T22:12:08,353 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:08,354 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:08,354 | ^~~~~~~~ 2026-05-26T22:12:08,355 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:08,356 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:12:08,357 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:12:08,358 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/opendxformat.cpp:24: 2026-05-26T22:12:08,359 /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]’: 2026-05-26T22:12:08,360 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:08,361 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:08,361 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:08,362 /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]’: 2026-05-26T22:12:08,363 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:08,365 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:08,366 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, 2026-05-26T22:12:08,367 inlined from ‘virtual bool OpenBabel::OBOpenDXCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/opendxformat.cpp:154:23: 2026-05-26T22:12:08,368 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:08,369 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:08,370 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:08,371 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:08,372 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, 2026-05-26T22:12:08,373 inlined from ‘virtual bool OpenBabel::OBOpenDXCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/opendxformat.cpp:199:25: 2026-05-26T22:12:08,374 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:08,375 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:08,377 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:11,522 [250/480] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o 2026-05-26T22:12:11,523 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:11,524 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:29: 2026-05-26T22:12:11,525 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:11,526 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:11,527 281 | return ! ( (*this) == other ); 2026-05-26T22:12:11,528 | ^~~~~ 2026-05-26T22:12:11,532 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:11,533 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:11,534 | ^~~~~~~~ 2026-05-26T22:12:11,535 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:11,536 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:12:11,537 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:28: 2026-05-26T22:12:11,538 /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]’: 2026-05-26T22:12:11,539 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:11,540 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:11,541 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:11,542 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:12:11,543 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:11,544 inlined from ‘bool OpenBabel::conditional_add(std::vector&, vector3, double)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:159:19: 2026-05-26T22:12:11,545 /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 2026-05-26T22:12:11,546 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:11,547 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:11,548 /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]’: 2026-05-26T22:12:11,550 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:11,551 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:11,552 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:11,553 /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]’: 2026-05-26T22:12:11,554 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:11,555 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:11,555 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:205:63: 2026-05-26T22:12:11,556 /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 2026-05-26T22:12:11,557 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:11,558 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:11,559 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:11,560 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:215:59: 2026-05-26T22:12:11,562 /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 2026-05-26T22:12:11,565 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:11,566 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:11,567 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:11,568 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, 2026-05-26T22:12:11,569 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:220:68: 2026-05-26T22:12:11,570 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:11,571 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:11,573 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:11,574 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:11,575 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, 2026-05-26T22:12:11,576 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:222:29: 2026-05-26T22:12:11,587 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:11,588 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:11,589 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:11,590 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:11,591 inlined from ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pointcloudformat.cpp:269:38: 2026-05-26T22:12:11,592 /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 2026-05-26T22:12:11,593 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:11,594 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:14,027 [251/480] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o 2026-05-26T22:12:14,028 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:14,029 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/rinchiformat.cpp:20: 2026-05-26T22:12:14,030 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:14,030 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:14,032 281 | return ! ( (*this) == other ); 2026-05-26T22:12:14,033 | ^~~~~ 2026-05-26T22:12:14,034 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:14,035 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:14,036 | ^~~~~~~~ 2026-05-26T22:12:15,515 [252/480] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o 2026-05-26T22:12:15,516 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:15,517 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/posformat.cpp:17: 2026-05-26T22:12:15,518 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:15,519 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:15,520 281 | return ! ( (*this) == other ); 2026-05-26T22:12:15,522 | ^~~~~ 2026-05-26T22:12:15,523 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:15,524 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:15,525 | ^~~~~~~~ 2026-05-26T22:12:18,217 [253/480] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o 2026-05-26T22:12:18,218 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:18,219 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pqrformat.cpp:18: 2026-05-26T22:12:18,220 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:18,221 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:18,223 281 | return ! ( (*this) == other ); 2026-05-26T22:12:18,223 | ^~~~~ 2026-05-26T22:12:18,224 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:18,225 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:18,226 | ^~~~~~~~ 2026-05-26T22:12:18,227 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:18,228 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:12:18,229 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:12:18,230 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pqrformat.cpp:16: 2026-05-26T22:12:18,231 /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]’: 2026-05-26T22:12:18,232 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:18,233 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:18,234 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:18,235 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:18,236 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, 2026-05-26T22:12:18,238 inlined from ‘virtual bool OpenBabel::PQRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pqrformat.cpp:140:30: 2026-05-26T22:12:18,239 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:18,240 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:18,241 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:18,242 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:18,242 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, 2026-05-26T22:12:18,243 inlined from ‘virtual bool OpenBabel::PQRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pqrformat.cpp:141:28: 2026-05-26T22:12:18,244 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:18,245 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:18,246 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:19,486 [254/480] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o 2026-05-26T22:12:19,487 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:19,488 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/rsmiformat.cpp:20: 2026-05-26T22:12:19,489 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:19,490 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:19,491 281 | return ! ( (*this) == other ); 2026-05-26T22:12:19,492 | ^~~~~ 2026-05-26T22:12:19,493 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:19,494 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:19,495 | ^~~~~~~~ 2026-05-26T22:12:22,020 [255/480] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o 2026-05-26T22:12:22,021 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:12:22,022 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/shelxformat.cpp:17: 2026-05-26T22:12:22,023 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:22,023 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:22,024 281 | return ! ( (*this) == other ); 2026-05-26T22:12:22,025 | ^~~~~ 2026-05-26T22:12:22,026 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:22,029 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:22,030 | ^~~~~~~~ 2026-05-26T22:12:22,040 [256/480] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o 2026-05-26T22:12:22,041 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:22,042 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/rxnformat.cpp:22: 2026-05-26T22:12:22,044 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:22,045 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:22,046 281 | return ! ( (*this) == other ); 2026-05-26T22:12:22,047 | ^~~~~ 2026-05-26T22:12:22,048 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:22,049 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:22,050 | ^~~~~~~~ 2026-05-26T22:12:27,056 [257/480] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o 2026-05-26T22:12:27,058 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:28: 2026-05-26T22:12:27,059 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:27,061 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:27,063 281 | return ! ( (*this) == other ); 2026-05-26T22:12:27,065 | ^~~~~ 2026-05-26T22:12:27,066 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:27,067 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:27,069 | ^~~~~~~~ 2026-05-26T22:12:27,070 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:27,070 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:12:27,071 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:29: 2026-05-26T22:12:27,072 /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]’: 2026-05-26T22:12:27,073 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:27,074 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:27,075 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:27,076 /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]’: 2026-05-26T22:12:27,078 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:27,079 /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]’: 2026-05-26T22:12:27,079 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:27,080 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:27,081 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:27,083 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]’, 2026-05-26T22:12:27,087 inlined from ‘void OpenBabel::map_cylinder(std::vector&, vector3, vector3, double, uint16_t)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:288:23: 2026-05-26T22:12:27,097 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:27,098 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:27,099 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:27,100 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]’, 2026-05-26T22:12:27,101 inlined from ‘void OpenBabel::map_cylinder(std::vector&, vector3, vector3, double, uint16_t)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:289:23: 2026-05-26T22:12:27,102 /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 2026-05-26T22:12:27,103 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:27,104 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:27,105 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double, double, double}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:27,106 inlined from ‘void OpenBabel::map_sphere(std::vector&, vector3, double, uint16_t)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:244:28, 2026-05-26T22:12:27,107 inlined from ‘virtual bool OpenBabel::STLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:447:17: 2026-05-26T22:12:27,108 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:27,109 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:27,110 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:27,111 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double, double, double}; _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:12:27,113 inlined from ‘void OpenBabel::map_sphere(std::vector&, vector3, double, uint16_t)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:245:28, 2026-05-26T22:12:27,114 inlined from ‘virtual bool OpenBabel::STLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/stlformat.cpp:447:17: 2026-05-26T22:12:27,115 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:27,116 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:27,117 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:28,605 [258/480] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o 2026-05-26T22:12:28,606 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:28,607 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/unichemformat.cpp:19: 2026-05-26T22:12:28,608 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:28,609 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:28,610 281 | return ! ( (*this) == other ); 2026-05-26T22:12:28,612 | ^~~~~ 2026-05-26T22:12:28,613 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:28,613 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:28,614 | ^~~~~~~~ 2026-05-26T22:12:30,724 [259/480] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o 2026-05-26T22:12:30,725 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:30,726 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/thermoformat.cpp:25: 2026-05-26T22:12:30,727 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:30,728 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:30,729 281 | return ! ( (*this) == other ); 2026-05-26T22:12:30,730 | ^~~~~ 2026-05-26T22:12:30,731 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:30,732 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:30,733 | ^~~~~~~~ 2026-05-26T22:12:32,747 [260/480] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o 2026-05-26T22:12:32,748 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:32,749 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obfunctions.h:22, 2026-05-26T22:12:32,750 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbqtformat.cpp:25: 2026-05-26T22:12:32,751 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:32,752 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:32,753 281 | return ! ( (*this) == other ); 2026-05-26T22:12:32,754 | ^~~~~ 2026-05-26T22:12:32,755 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:32,756 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:32,757 | ^~~~~~~~ 2026-05-26T22:12:32,758 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:12:32,759 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbqtformat.cpp:33: 2026-05-26T22:12:32,760 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:12:32,761 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,762 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:32,763 | ^ 2026-05-26T22:12:32,764 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,765 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,766 | ^~~~~~~~~ 2026-05-26T22:12:32,767 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,775 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:32,787 | ^ 2026-05-26T22:12:32,787 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,788 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,789 | ^~~~~~~~~ 2026-05-26T22:12:32,790 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,791 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:32,792 | ^ 2026-05-26T22:12:32,793 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,794 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,795 | ^~~~~~~~~ 2026-05-26T22:12:32,796 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,797 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:32,798 | ^ 2026-05-26T22:12:32,799 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,800 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,801 | ^~~~~~~~~ 2026-05-26T22:12:32,802 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:12:32,803 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,804 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:32,805 | ^ 2026-05-26T22:12:32,806 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,807 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,808 | ^~~~~~~~~ 2026-05-26T22:12:32,809 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,810 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:32,811 | ^ 2026-05-26T22:12:32,812 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,813 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,814 | ^~~~~~~~~ 2026-05-26T22:12:32,815 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,816 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:32,817 | ^ 2026-05-26T22:12:32,818 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,818 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,819 | ^~~~~~~~~ 2026-05-26T22:12:32,820 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:32,822 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:32,823 | ^ 2026-05-26T22:12:32,824 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:32,837 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:32,838 | ^~~~~~~~~ 2026-05-26T22:12:32,839 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:32,840 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:12:32,841 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obmolecformat.h:25, 2026-05-26T22:12:32,842 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbqtformat.cpp:24: 2026-05-26T22:12:32,843 /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]’: 2026-05-26T22:12:32,844 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:32,845 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:32,846 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:32,847 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:12:32,848 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:12:32,849 inlined from ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbqtformat.cpp:806:23, 2026-05-26T22:12:32,850 inlined from ‘virtual bool OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbqtformat.cpp:862:32: 2026-05-26T22:12:32,851 /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 2026-05-26T22:12:32,852 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:32,853 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:32,854 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:12:32,855 inlined from ‘virtual bool OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/pdbqtformat.cpp:858:27: 2026-05-26T22:12:32,856 /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 2026-05-26T22:12:32,857 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:32,858 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:34,448 [261/480] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o 2026-05-26T22:12:34,449 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:34,450 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/viewmolformat.cpp:19: 2026-05-26T22:12:34,451 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:34,452 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:34,453 281 | return ! ( (*this) == other ); 2026-05-26T22:12:34,454 | ^~~~~ 2026-05-26T22:12:34,455 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:34,456 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:34,457 | ^~~~~~~~ 2026-05-26T22:12:35,123 [262/480] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o 2026-05-26T22:12:36,705 [263/480] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o 2026-05-26T22:12:36,706 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:36,707 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/tinkerformat.cpp:19: 2026-05-26T22:12:36,708 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:36,709 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:36,710 281 | return ! ( (*this) == other ); 2026-05-26T22:12:36,711 | ^~~~~ 2026-05-26T22:12:36,712 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:36,713 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:36,714 | ^~~~~~~~ 2026-05-26T22:12:38,137 [264/480] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o 2026-05-26T22:12:38,138 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:38,139 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/smileyformat.cpp:17: 2026-05-26T22:12:38,140 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:38,141 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:38,142 281 | return ! ( (*this) == other ); 2026-05-26T22:12:38,143 | ^~~~~ 2026-05-26T22:12:38,144 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:38,145 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:38,146 | ^~~~~~~~ 2026-05-26T22:12:38,147 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/typer.h:29, 2026-05-26T22:12:38,148 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/smileyformat.cpp:22: 2026-05-26T22:12:38,149 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:12:38,150 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,151 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:38,152 | ^ 2026-05-26T22:12:38,153 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,154 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,155 | ^~~~~~~~~ 2026-05-26T22:12:38,156 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,158 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:38,159 | ^ 2026-05-26T22:12:38,160 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,161 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,162 | ^~~~~~~~~ 2026-05-26T22:12:38,163 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,164 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:38,165 | ^ 2026-05-26T22:12:38,166 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,168 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,168 | ^~~~~~~~~ 2026-05-26T22:12:38,169 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,170 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:12:38,171 | ^ 2026-05-26T22:12:38,172 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,173 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,174 | ^~~~~~~~~ 2026-05-26T22:12:38,175 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:12:38,176 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,177 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:38,179 | ^ 2026-05-26T22:12:38,187 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,189 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,190 | ^~~~~~~~~ 2026-05-26T22:12:38,191 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,192 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:38,195 | ^ 2026-05-26T22:12:38,196 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,197 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,198 | ^~~~~~~~~ 2026-05-26T22:12:38,199 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,200 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:38,201 | ^ 2026-05-26T22:12:38,202 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,204 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,205 | ^~~~~~~~~ 2026-05-26T22:12:38,206 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:12:38,207 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:12:38,208 | ^ 2026-05-26T22:12:38,209 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:12:38,210 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:12:38,211 | ^~~~~~~~~ 2026-05-26T22:12:39,894 [265/480] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o 2026-05-26T22:12:39,895 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:39,896 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xedformat.cpp:19: 2026-05-26T22:12:39,897 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:39,898 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:39,898 281 | return ! ( (*this) == other ); 2026-05-26T22:12:39,899 | ^~~~~ 2026-05-26T22:12:39,900 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:39,902 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:39,903 | ^~~~~~~~ 2026-05-26T22:12:42,809 [266/480] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o 2026-05-26T22:12:42,810 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:42,811 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/yasaraformat.cpp:36: 2026-05-26T22:12:42,812 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:42,814 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:42,815 281 | return ! ( (*this) == other ); 2026-05-26T22:12:42,816 | ^~~~~ 2026-05-26T22:12:42,817 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:42,819 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:42,820 | ^~~~~~~~ 2026-05-26T22:12:44,154 [267/480] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o 2026-05-26T22:12:44,155 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:44,156 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xyzformat.cpp:19: 2026-05-26T22:12:44,157 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:44,158 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:44,160 281 | return ! ( (*this) == other ); 2026-05-26T22:12:44,161 | ^~~~~ 2026-05-26T22:12:44,162 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:44,163 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:44,164 | ^~~~~~~~ 2026-05-26T22:12:46,108 [268/480] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o 2026-05-26T22:12:47,722 [269/480] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o 2026-05-26T22:12:47,723 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:47,724 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/cdxmlformat.cpp:22: 2026-05-26T22:12:47,725 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:47,726 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:47,727 281 | return ! ( (*this) == other ); 2026-05-26T22:12:47,728 | ^~~~~ 2026-05-26T22:12:47,729 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:47,730 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:47,731 | ^~~~~~~~ 2026-05-26T22:12:47,732 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:47,733 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:12:47,734 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/xml.h:21, 2026-05-26T22:12:47,735 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/cdxmlformat.cpp:20: 2026-05-26T22:12:47,737 /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]’: 2026-05-26T22:12:47,738 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:47,739 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:47,740 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:47,741 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:47,742 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, 2026-05-26T22:12:47,743 inlined from ‘OpenBabel::Boundary OpenBabel::ChemDrawXMLFormat::CalculateMoleculeBoundary(OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/cdxmlformat.cpp:335:21: 2026-05-26T22:12:47,744 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:47,745 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:47,746 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:47,748 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:47,749 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, 2026-05-26T22:12:47,750 inlined from ‘OpenBabel::Boundary OpenBabel::ChemDrawXMLFormat::CalculateMoleculeBoundary(OpenBabel::OBMol*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/cdxmlformat.cpp:336:21: 2026-05-26T22:12:47,750 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:12:47,751 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:12:47,752 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:50,948 [270/480] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o 2026-05-26T22:12:55,290 [271/480] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o 2026-05-26T22:12:55,832 [272/480] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o 2026-05-26T22:12:55,834 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:12:55,835 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/pubchem.cpp:19: 2026-05-26T22:12:55,836 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:12:55,837 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:12:55,838 281 | return ! ( (*this) == other ); 2026-05-26T22:12:55,839 | ^~~~~ 2026-05-26T22:12:55,840 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:12:55,841 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:12:55,842 | ^~~~~~~~ 2026-05-26T22:12:55,843 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:12:55,844 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:30, 2026-05-26T22:12:55,845 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/xml.h:21, 2026-05-26T22:12:55,846 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/pubchem.cpp:17: 2026-05-26T22:12:55,848 /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]’: 2026-05-26T22:12:55,849 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:12:55,851 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:12:55,852 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:12:55,853 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:12:55,854 /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]’: 2026-05-26T22:12:55,855 /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 2026-05-26T22:12:55,857 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:55,858 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:12:55,860 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:12:55,861 inlined from ‘virtual bool OpenBabel::PubChemFormat::DoElement(const std::string&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/pubchem.cpp:163:20: 2026-05-26T22:12:55,862 /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 2026-05-26T22:12:55,864 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:12:55,865 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:13:00,272 [273/480] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o 2026-05-26T22:13:00,273 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:13:00,274 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/wln-nextmove.cpp:17: 2026-05-26T22:13:00,275 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:00,276 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:00,277 281 | return ! ( (*this) == other ); 2026-05-26T22:13:00,278 | ^~~~~ 2026-05-26T22:13:00,279 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:00,280 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:00,281 | ^~~~~~~~ 2026-05-26T22:13:00,497 [274/480] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o 2026-05-26T22:13:02,262 [275/480] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o 2026-05-26T22:13:03,293 [276/480] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o 2026-05-26T22:13:08,472 [277/480] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o 2026-05-26T22:13:08,473 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:13:08,474 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/cmlreactformat.cpp:17: 2026-05-26T22:13:08,474 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:08,475 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:08,477 281 | return ! ( (*this) == other ); 2026-05-26T22:13:08,477 | ^~~~~ 2026-05-26T22:13:08,479 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:08,480 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:08,481 | ^~~~~~~~ 2026-05-26T22:13:16,108 [278/480] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o 2026-05-26T22:13:16,109 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:13:16,110 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/xml/cmlformat.cpp:19: 2026-05-26T22:13:16,111 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:16,112 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:16,113 281 | return ! ( (*this) == other ); 2026-05-26T22:13:16,114 | ^~~~~ 2026-05-26T22:13:16,115 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:16,116 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:16,117 | ^~~~~~~~ 2026-05-26T22:13:16,118 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:13:16,119 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/oberror.h:28, 2026-05-26T22:13:16,120 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:27: 2026-05-26T22:13:16,121 /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]’: 2026-05-26T22:13:16,122 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:13:16,123 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:13:16,125 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:13:16,126 /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]’: 2026-05-26T22:13:16,127 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:13:16,128 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:13:16,129 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:13:19,485 [279/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt2.c.o 2026-05-26T22:13:22,927 [280/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt1.c.o 2026-05-26T22:13:26,718 [281/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiqueu.c.o 2026-05-26T22:13:27,947 [282/480] Building CXX object src/formats/CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o 2026-05-26T22:13:27,948 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:13:27,949 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/json/chemicaljsonformat.cpp:17: 2026-05-26T22:13:27,950 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:27,951 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:27,952 281 | return ! ( (*this) == other ); 2026-05-26T22:13:27,954 | ^~~~~ 2026-05-26T22:13:27,954 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:27,955 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:27,956 | ^~~~~~~~ 2026-05-26T22:13:29,035 [283/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiring.c.o 2026-05-26T22:13:33,583 [284/480] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o 2026-05-26T22:13:33,584 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:13:33,585 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/json/chemdoodlejsonformat.cpp:22: 2026-05-26T22:13:33,585 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:33,586 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:33,587 281 | return ! ( (*this) == other ); 2026-05-26T22:13:33,589 | ^~~~~ 2026-05-26T22:13:33,590 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:33,591 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:33,592 | ^~~~~~~~ 2026-05-26T22:13:37,397 [285/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr1.c.o 2026-05-26T22:13:39,511 [286/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt3.c.o 2026-05-26T22:13:41,072 [287/480] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o 2026-05-26T22:13:41,073 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:13:41,074 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/json/pubchemjsonformat.cpp:23: 2026-05-26T22:13:41,075 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:41,077 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:41,078 281 | return ! ( (*this) == other ); 2026-05-26T22:13:41,078 | ^~~~~ 2026-05-26T22:13:41,079 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:41,080 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:41,081 | ^~~~~~~~ 2026-05-26T22:13:46,814 [288/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr4.c.o 2026-05-26T22:13:47,605 [289/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr5.c.o 2026-05-26T22:13:49,436 [290/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr2.c.o 2026-05-26T22:13:50,738 [291/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr6.c.o 2026-05-26T22:13:51,526 [292/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichisort.c.o 2026-05-26T22:13:52,133 [293/480] Building CXX object src/formats/CMakeFiles/ketformat.dir/json/ketformat.cpp.o 2026-05-26T22:13:52,134 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:13:52,135 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/json/ketformat.cpp:34: 2026-05-26T22:13:52,136 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:13:52,137 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:13:52,138 281 | return ! ( (*this) == other ); 2026-05-26T22:13:52,138 | ^~~~~ 2026-05-26T22:13:52,139 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:13:52,140 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:13:52,141 | ^~~~~~~~ 2026-05-26T22:13:52,142 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:13:52,144 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:30: 2026-05-26T22:13:52,145 /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]’: 2026-05-26T22:13:52,146 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:13:52,147 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:13:52,148 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:13:52,149 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::{anonymous}::OutComponent}; _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’, 2026-05-26T22:13:52,151 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, 2026-05-26T22:13:52,152 inlined from ‘OpenBabel::KETFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)::’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/json/ketformat.cpp:1611:37: 2026-05-26T22:13:52,153 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:13:52,154 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:13:52,155 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:13:52,156 In member function ‘void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::{anonymous}::OutComponent}; _Tp = OpenBabel::{anonymous}::OutComponent; _Alloc = std::allocator]’, 2026-05-26T22:13:52,157 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, 2026-05-26T22:13:52,158 inlined from ‘virtual bool OpenBabel::KETFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/src/formats/json/ketformat.cpp:1653:33: 2026-05-26T22:13:52,159 /usr/include/c++/12/bits/vector.tcc:123:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:13:52,167 123 | _M_realloc_insert(end(), std::forward<_Args>(__args)...); 2026-05-26T22:13:52,168 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:13:53,070 [294/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ikey_base26.c.o 2026-05-26T22:13:53,664 [295/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr7.c.o 2026-05-26T22:13:54,014 [296/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ikey_dll.c.o 2026-05-26T22:13:58,954 [297/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiread.c.o 2026-05-26T22:13:59,156 [298/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichister.c.o 2026-05-26T22:14:00,372 [299/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/inchi_dll_a2.c.o 2026-05-26T22:14:00,986 [300/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/inchi_dll.c.o 2026-05-26T22:14:01,961 [301/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt2.c.o 2026-05-26T22:14:01,994 [302/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol2atom.c.o 2026-05-26T22:14:03,003 [303/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt1.c.o 2026-05-26T22:14:03,262 [304/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt3.c.o 2026-05-26T22:14:05,260 [305/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/mol_fmt4.c.o 2026-05-26T22:14:05,571 [306/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr3.c.o 2026-05-26T22:14:05,872 [307/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichitaut.c.o 2026-05-26T22:14:06,112 [308/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/readinch.c.o 2026-05-26T22:14:07,005 [309/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi4.c.o 2026-05-26T22:14:07,779 [310/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi2.c.o 2026-05-26T22:14:07,892 [311/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi.c.o 2026-05-26T22:14:08,398 [312/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/sha2.c.o 2026-05-26T22:14:10,243 [313/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/util.c.o 2026-05-26T22:14:11,906 [314/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi3.c.o 2026-05-26T22:14:14,154 [315/480] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o 2026-05-26T22:14:14,990 [316/480] Linking CXX executable bin/obabel 2026-05-26T22:14:15,421 [317/480] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o 2026-05-26T22:14:15,422 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:15,423 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:26, 2026-05-26T22:14:15,424 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obenergy.cpp:27: 2026-05-26T22:14:15,425 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:15,427 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:15,428 281 | return ! ( (*this) == other ); 2026-05-26T22:14:15,429 | ^~~~~ 2026-05-26T22:14:15,430 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:15,431 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:15,432 | ^~~~~~~~ 2026-05-26T22:14:16,323 [318/480] Linking CXX executable bin/obenergy 2026-05-26T22:14:16,773 [319/480] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o 2026-05-26T22:14:16,774 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:16,775 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:14:16,776 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obconformer.cpp:25: 2026-05-26T22:14:16,776 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:16,777 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:16,778 281 | return ! ( (*this) == other ); 2026-05-26T22:14:16,779 | ^~~~~ 2026-05-26T22:14:16,780 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:16,781 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:16,782 | ^~~~~~~~ 2026-05-26T22:14:16,783 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:23, 2026-05-26T22:14:16,784 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotamer.h:26, 2026-05-26T22:14:16,785 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obconformer.cpp:29: 2026-05-26T22:14:16,797 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:16,798 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,799 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:16,801 | ^ 2026-05-26T22:14:16,803 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,804 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,805 | ^~~~~~~~~ 2026-05-26T22:14:16,806 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,807 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:16,808 | ^ 2026-05-26T22:14:16,809 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,810 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,812 | ^~~~~~~~~ 2026-05-26T22:14:16,813 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,813 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:16,814 | ^ 2026-05-26T22:14:16,815 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,816 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,817 | ^~~~~~~~~ 2026-05-26T22:14:16,818 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,819 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:16,820 | ^ 2026-05-26T22:14:16,821 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,822 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,823 | ^~~~~~~~~ 2026-05-26T22:14:16,824 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:16,827 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,828 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:16,829 | ^ 2026-05-26T22:14:16,830 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,831 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,832 | ^~~~~~~~~ 2026-05-26T22:14:16,833 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,834 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:16,847 | ^ 2026-05-26T22:14:16,848 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,849 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,850 | ^~~~~~~~~ 2026-05-26T22:14:16,851 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,852 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:16,853 | ^ 2026-05-26T22:14:16,854 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,855 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,856 | ^~~~~~~~~ 2026-05-26T22:14:16,857 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:16,857 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:16,858 | ^ 2026-05-26T22:14:16,859 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:16,860 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:16,861 | ^~~~~~~~~ 2026-05-26T22:14:17,725 [320/480] Linking CXX executable bin/obconformer 2026-05-26T22:14:18,126 [321/480] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/strutil.c.o 2026-05-26T22:14:18,692 [322/480] Linking C shared library lib/libinchi.so.1.07.4 2026-05-26T22:14:18,787 [323/480] Creating library symlink lib/libinchi.so.1 lib/libinchi.so 2026-05-26T22:14:19,811 [324/480] Linking CXX shared module lib/smilesformat.so 2026-05-26T22:14:20,686 [325/480] Linking CXX shared module lib/mdlformat.so 2026-05-26T22:14:21,446 [326/480] Linking CXX shared module lib/mol2format.so 2026-05-26T22:14:22,216 [327/480] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o 2026-05-26T22:14:22,217 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:22,218 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:14:22,219 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obgen.cpp:33: 2026-05-26T22:14:22,221 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:22,222 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:22,223 281 | return ! ( (*this) == other ); 2026-05-26T22:14:22,224 | ^~~~~ 2026-05-26T22:14:22,225 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:22,226 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:22,227 | ^~~~~~~~ 2026-05-26T22:14:22,450 [328/480] Linking CXX shared module lib/pdbformat.so 2026-05-26T22:14:22,484 [329/480] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o 2026-05-26T22:14:22,485 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obfit.cpp:36: 2026-05-26T22:14:22,486 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:22,488 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,489 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,490 | ^ 2026-05-26T22:14:22,491 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,492 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,493 | ^~~~~~~~~ 2026-05-26T22:14:22,495 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,496 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,498 | ^ 2026-05-26T22:14:22,499 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,499 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,500 | ^~~~~~~~~ 2026-05-26T22:14:22,502 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,503 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,504 | ^ 2026-05-26T22:14:22,505 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,506 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,507 | ^~~~~~~~~ 2026-05-26T22:14:22,508 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,509 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,510 | ^ 2026-05-26T22:14:22,512 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,517 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,527 | ^~~~~~~~~ 2026-05-26T22:14:22,528 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:22,529 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,530 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,531 | ^ 2026-05-26T22:14:22,532 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,533 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,534 | ^~~~~~~~~ 2026-05-26T22:14:22,536 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,537 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,538 | ^ 2026-05-26T22:14:22,539 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,540 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,541 | ^~~~~~~~~ 2026-05-26T22:14:22,542 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,543 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,544 | ^ 2026-05-26T22:14:22,545 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,545 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,546 | ^~~~~~~~~ 2026-05-26T22:14:22,547 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,548 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,549 | ^ 2026-05-26T22:14:22,550 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,567 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,568 | ^~~~~~~~~ 2026-05-26T22:14:22,569 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obfit.cpp:38: 2026-05-26T22:14:22,570 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:22,571 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:22,572 281 | return ! ( (*this) == other ); 2026-05-26T22:14:22,573 | ^~~~~ 2026-05-26T22:14:22,574 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:22,574 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:22,575 | ^~~~~~~~ 2026-05-26T22:14:22,832 [330/480] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o 2026-05-26T22:14:22,833 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:22,834 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obfitall.cpp:36: 2026-05-26T22:14:22,835 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:22,837 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:22,838 281 | return ! ( (*this) == other ); 2026-05-26T22:14:22,839 | ^~~~~ 2026-05-26T22:14:22,840 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:22,841 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:22,841 | ^~~~~~~~ 2026-05-26T22:14:22,842 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obfitall.cpp:37: 2026-05-26T22:14:22,843 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:22,844 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,845 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,846 | ^ 2026-05-26T22:14:22,848 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,849 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,850 | ^~~~~~~~~ 2026-05-26T22:14:22,851 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,852 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,853 | ^ 2026-05-26T22:14:22,854 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,855 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,856 | ^~~~~~~~~ 2026-05-26T22:14:22,857 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,858 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,859 | ^ 2026-05-26T22:14:22,859 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,860 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,861 | ^~~~~~~~~ 2026-05-26T22:14:22,862 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,863 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:22,867 | ^ 2026-05-26T22:14:22,868 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,869 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,870 | ^~~~~~~~~ 2026-05-26T22:14:22,871 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:22,871 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,887 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,888 | ^ 2026-05-26T22:14:22,889 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,890 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,890 | ^~~~~~~~~ 2026-05-26T22:14:22,891 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,892 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,894 | ^ 2026-05-26T22:14:22,894 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,895 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,896 | ^~~~~~~~~ 2026-05-26T22:14:22,898 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,899 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,900 | ^ 2026-05-26T22:14:22,901 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,902 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,903 | ^~~~~~~~~ 2026-05-26T22:14:22,904 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:22,905 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:22,906 | ^ 2026-05-26T22:14:22,907 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:22,908 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:22,909 | ^~~~~~~~~ 2026-05-26T22:14:23,278 [331/480] Linking CXX shared module lib/inchiformat.so 2026-05-26T22:14:23,371 [332/480] Linking CXX shared module lib/asciiformat.so 2026-05-26T22:14:23,390 [333/480] Linking CXX shared module lib/copyformat.so 2026-05-26T22:14:23,780 [334/480] Linking CXX shared module lib/MNAformat.so 2026-05-26T22:14:23,918 [335/480] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o 2026-05-26T22:14:23,919 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:23,920 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:14:23,921 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obminimize.cpp:29: 2026-05-26T22:14:23,922 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:23,923 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:23,924 281 | return ! ( (*this) == other ); 2026-05-26T22:14:23,925 | ^~~~~ 2026-05-26T22:14:23,926 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:23,927 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:23,929 | ^~~~~~~~ 2026-05-26T22:14:24,193 [336/480] Linking CXX shared module lib/nulformat.so 2026-05-26T22:14:24,289 [337/480] Linking CXX shared module lib/molreport.so 2026-05-26T22:14:24,389 [338/480] Linking CXX shared module lib/painterformat.so 2026-05-26T22:14:24,473 [339/480] Linking CXX shared module lib/povrayformat.so 2026-05-26T22:14:24,824 [340/480] Linking CXX shared module lib/reportformat.so 2026-05-26T22:14:24,904 [341/480] Linking CXX shared module lib/svgformat.so 2026-05-26T22:14:25,117 [342/480] Linking CXX shared module lib/textformat.so 2026-05-26T22:14:25,368 [343/480] Linking CXX shared module lib/confabreport.so 2026-05-26T22:14:25,389 [344/480] Linking CXX shared module lib/titleformat.so 2026-05-26T22:14:25,688 [345/480] Linking CXX shared module lib/acesformat.so 2026-05-26T22:14:25,713 [346/480] Linking CXX shared module lib/pngformat.so 2026-05-26T22:14:26,125 [347/480] Linking CXX shared module lib/abinitformat.so 2026-05-26T22:14:26,206 [348/480] Linking CXX shared module lib/adfformat.so 2026-05-26T22:14:26,249 [349/480] Linking CXX shared module lib/aoforceformat.so 2026-05-26T22:14:26,541 [350/480] Linking CXX shared module lib/crystal09format.so 2026-05-26T22:14:26,553 [351/480] Linking CXX shared module lib/castepformat.so 2026-05-26T22:14:26,945 [352/480] Linking CXX shared module lib/daltonformat.so 2026-05-26T22:14:26,980 [353/480] Linking CXX shared module lib/dmolformat.so 2026-05-26T22:14:27,117 [354/480] Linking CXX shared module lib/fchkformat.so 2026-05-26T22:14:27,161 [355/480] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o 2026-05-26T22:14:27,162 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:27,163 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obmm.cpp:56: 2026-05-26T22:14:27,164 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:27,165 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:27,166 281 | return ! 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executable bin/obfitall 2026-05-26T22:14:41,135 [453/480] Linking CXX executable bin/obgen 2026-05-26T22:14:41,184 [454/480] Linking CXX executable bin/obmm 2026-05-26T22:14:41,212 [455/480] Linking CXX executable bin/obminimize 2026-05-26T22:14:45,481 [456/480] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o 2026-05-26T22:14:46,205 [457/480] Linking CXX executable bin/obsym 2026-05-26T22:14:47,634 [458/480] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o 2026-05-26T22:14:48,381 [459/480] Linking CXX executable bin/obtautomer 2026-05-26T22:14:48,847 [460/480] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o 2026-05-26T22:14:48,848 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:48,849 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:26, 2026-05-26T22:14:48,849 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obprobe.cpp:30: 2026-05-26T22:14:48,850 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:48,851 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:48,852 281 | return ! ( (*this) == other ); 2026-05-26T22:14:48,853 | ^~~~~ 2026-05-26T22:14:48,854 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:48,855 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:48,856 | ^~~~~~~~ 2026-05-26T22:14:49,405 [461/480] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o 2026-05-26T22:14:49,406 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:49,407 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:26, 2026-05-26T22:14:49,408 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obprop.cpp:31: 2026-05-26T22:14:49,409 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:49,410 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:49,411 281 | return ! ( (*this) == other ); 2026-05-26T22:14:49,412 | ^~~~~ 2026-05-26T22:14:49,413 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:49,414 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:49,415 | ^~~~~~~~ 2026-05-26T22:14:49,478 [462/480] Linking CXX executable bin/obprobe 2026-05-26T22:14:50,226 [463/480] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o 2026-05-26T22:14:50,227 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:50,228 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obrotate.cpp:39: 2026-05-26T22:14:50,230 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:50,231 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:50,232 281 | return ! ( (*this) == other ); 2026-05-26T22:14:50,233 | ^~~~~ 2026-05-26T22:14:50,234 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:50,235 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:50,236 | ^~~~~~~~ 2026-05-26T22:14:50,237 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obrotate.cpp:40: 2026-05-26T22:14:50,238 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:50,239 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,240 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:50,241 | ^ 2026-05-26T22:14:50,241 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,242 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,243 | ^~~~~~~~~ 2026-05-26T22:14:50,244 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,245 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:50,246 | ^ 2026-05-26T22:14:50,247 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,248 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,249 | ^~~~~~~~~ 2026-05-26T22:14:50,250 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,251 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:50,252 | ^ 2026-05-26T22:14:50,253 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,254 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,255 | ^~~~~~~~~ 2026-05-26T22:14:50,257 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,258 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:50,259 | ^ 2026-05-26T22:14:50,259 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,260 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,261 | ^~~~~~~~~ 2026-05-26T22:14:50,262 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:50,263 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,264 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:50,265 | ^ 2026-05-26T22:14:50,266 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,267 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,268 | ^~~~~~~~~ 2026-05-26T22:14:50,277 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,278 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:50,279 | ^ 2026-05-26T22:14:50,280 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,281 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,282 | ^~~~~~~~~ 2026-05-26T22:14:50,283 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,284 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:50,285 | ^ 2026-05-26T22:14:50,286 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,287 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,288 | ^~~~~~~~~ 2026-05-26T22:14:50,289 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:50,290 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:50,291 | ^ 2026-05-26T22:14:50,291 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:50,292 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:50,293 | ^~~~~~~~~ 2026-05-26T22:14:50,316 [464/480] Linking CXX executable bin/obprop 2026-05-26T22:14:51,059 [465/480] Linking CXX executable bin/obrotate 2026-05-26T22:14:52,562 [466/480] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o 2026-05-26T22:14:52,563 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotor.h:23, 2026-05-26T22:14:52,564 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotamer.h:26, 2026-05-26T22:14:52,565 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obrotamer.cpp:28: 2026-05-26T22:14:52,566 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:52,567 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,568 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:52,569 | ^ 2026-05-26T22:14:52,570 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,571 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,572 | ^~~~~~~~~ 2026-05-26T22:14:52,573 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,574 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:52,575 | ^ 2026-05-26T22:14:52,576 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,577 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,578 | ^~~~~~~~~ 2026-05-26T22:14:52,579 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,580 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:52,581 | ^ 2026-05-26T22:14:52,582 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,583 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,584 | ^~~~~~~~~ 2026-05-26T22:14:52,585 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,597 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:52,607 | ^ 2026-05-26T22:14:52,608 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,609 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,610 | ^~~~~~~~~ 2026-05-26T22:14:52,612 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:52,612 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,613 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:52,614 | ^ 2026-05-26T22:14:52,615 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,616 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,617 | ^~~~~~~~~ 2026-05-26T22:14:52,618 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,619 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:52,620 | ^ 2026-05-26T22:14:52,621 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,622 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,623 | ^~~~~~~~~ 2026-05-26T22:14:52,624 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,624 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:52,625 | ^ 2026-05-26T22:14:52,637 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,638 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,639 | ^~~~~~~~~ 2026-05-26T22:14:52,640 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:52,641 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:52,642 | ^ 2026-05-26T22:14:52,643 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:52,644 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:52,645 | ^~~~~~~~~ 2026-05-26T22:14:52,646 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:26, 2026-05-26T22:14:52,647 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/transform3d.h:23, 2026-05-26T22:14:52,648 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/spacegroup.h:23, 2026-05-26T22:14:52,649 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:29, 2026-05-26T22:14:52,649 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/rotamer.h:27: 2026-05-26T22:14:52,650 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:52,651 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:52,652 281 | return ! ( (*this) == other ); 2026-05-26T22:14:52,653 | ^~~~~ 2026-05-26T22:14:52,654 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:52,655 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:52,656 | ^~~~~~~~ 2026-05-26T22:14:52,721 [467/480] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o 2026-05-26T22:14:53,463 [468/480] Linking CXX executable bin/obthermo 2026-05-26T22:14:53,586 [469/480] Linking CXX executable bin/obrotamer 2026-05-26T22:14:55,432 [470/480] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o 2026-05-26T22:14:55,433 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obgrep.cpp:29: 2026-05-26T22:14:55,434 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:55,435 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,436 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:55,436 | ^ 2026-05-26T22:14:55,437 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,438 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,439 | ^~~~~~~~~ 2026-05-26T22:14:55,440 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,441 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:55,442 | ^ 2026-05-26T22:14:55,443 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,444 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,445 | ^~~~~~~~~ 2026-05-26T22:14:55,445 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,446 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:55,447 | ^ 2026-05-26T22:14:55,449 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,449 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,450 | ^~~~~~~~~ 2026-05-26T22:14:55,451 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,452 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:55,452 | ^ 2026-05-26T22:14:55,453 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,454 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,455 | ^~~~~~~~~ 2026-05-26T22:14:55,455 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:55,456 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,457 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:55,458 | ^ 2026-05-26T22:14:55,459 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,459 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,460 | ^~~~~~~~~ 2026-05-26T22:14:55,461 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,462 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:55,463 | ^ 2026-05-26T22:14:55,466 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,467 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,468 | ^~~~~~~~~ 2026-05-26T22:14:55,487 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,487 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:55,488 | ^ 2026-05-26T22:14:55,489 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,490 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,491 | ^~~~~~~~~ 2026-05-26T22:14:55,492 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:55,493 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:55,495 | ^ 2026-05-26T22:14:55,495 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:55,496 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:55,497 | ^~~~~~~~~ 2026-05-26T22:14:56,035 [471/480] Linking CXX executable bin/obgrep 2026-05-26T22:14:57,339 [472/480] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o 2026-05-26T22:14:57,340 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:57,340 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/forcefield.h:27, 2026-05-26T22:14:57,341 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obdistgen.cpp:30: 2026-05-26T22:14:57,342 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:57,343 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:57,344 281 | return ! ( (*this) == other ); 2026-05-26T22:14:57,345 | ^~~~~ 2026-05-26T22:14:57,346 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:57,347 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:57,348 | ^~~~~~~~ 2026-05-26T22:14:57,771 [473/480] Linking CXX executable bin/obdistgen 2026-05-26T22:14:58,581 [474/480] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o 2026-05-26T22:14:58,582 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obrms.cpp:33: 2026-05-26T22:14:58,583 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: 2026-05-26T22:14:58,584 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,585 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:58,586 | ^ 2026-05-26T22:14:58,587 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,587 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,588 | ^~~~~~~~~ 2026-05-26T22:14:58,589 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,590 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:58,591 | ^ 2026-05-26T22:14:58,592 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,592 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,593 | ^~~~~~~~~ 2026-05-26T22:14:58,594 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,595 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:58,596 | ^ 2026-05-26T22:14:58,596 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,597 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,598 | ^~~~~~~~~ 2026-05-26T22:14:58,598 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,599 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } 2026-05-26T22:14:58,600 | ^ 2026-05-26T22:14:58,600 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,601 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,601 | ^~~~~~~~~ 2026-05-26T22:14:58,602 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: 2026-05-26T22:14:58,603 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,604 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:58,604 | ^ 2026-05-26T22:14:58,605 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,606 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,607 | ^~~~~~~~~ 2026-05-26T22:14:58,608 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,608 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:58,609 | ^ 2026-05-26T22:14:58,610 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,611 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,612 | ^~~~~~~~~ 2026-05-26T22:14:58,613 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,614 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:58,615 | ^ 2026-05-26T22:14:58,615 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,616 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,617 | ^~~~~~~~~ 2026-05-26T22:14:58,617 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 2026-05-26T22:14:58,618 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) 2026-05-26T22:14:58,619 | ^ 2026-05-26T22:14:58,620 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/parsmart.h:158:37: note: declared here 2026-05-26T22:14:58,620 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) 2026-05-26T22:14:58,621 | ^~~~~~~~~ 2026-05-26T22:14:58,622 In file included from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/atom.h:35, 2026-05-26T22:14:58,623 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bond.h:32, 2026-05-26T22:14:58,623 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/query.h:27, 2026-05-26T22:14:58,624 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obrms.cpp:35: 2026-05-26T22:14:58,625 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: 2026-05-26T22:14:58,626 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 2026-05-26T22:14:58,627 281 | return ! ( (*this) == other ); 2026-05-26T22:14:58,628 | ^~~~~ 2026-05-26T22:14:58,629 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/vector3.h:274:10: note: declared here 2026-05-26T22:14:58,630 274 | bool operator== ( const vector3& ) const; 2026-05-26T22:14:58,631 | ^~~~~~~~ 2026-05-26T22:14:58,631 In file included from /usr/include/c++/12/vector:70, 2026-05-26T22:14:58,632 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/mol.h:44, 2026-05-26T22:14:58,633 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/tools/obrms.cpp:32: 2026-05-26T22:14:58,634 /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]’: 2026-05-26T22:14:58,635 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:14:58,636 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:14:58,637 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:14:58,638 In file included from /usr/include/c++/12/vector:64: 2026-05-26T22:14:58,639 /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]’: 2026-05-26T22:14:58,640 /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 2026-05-26T22:14:58,641 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:14:58,642 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:14:58,972 [475/480] Linking CXX executable bin/obrms 2026-05-26T22:14:59,064 [476/480] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o 2026-05-26T22:14:59,408 [477/480] Linking CXX executable bin/obspectrophore 2026-05-26T22:15:13,943 [478/480] Generating /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp, /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel.py 2026-05-26T22:15:13,943 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored) 2026-05-26T22:15:13,944 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored) 2026-05-26T22:15:13,944 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored). 2026-05-26T22:15:13,945 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored). 2026-05-26T22:15:13,946 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/bitvec.h:59: Warning 560: Unknown Doxygen command: users. 2026-05-26T22:15:13,946 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$a. 2026-05-26T22:15:13,947 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$c. 2026-05-26T22:15:13,948 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$S. 2026-05-26T22:15:13,948 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:628: Warning 560: Unknown Doxygen command: f$S. 2026-05-26T22:15:13,949 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:628: Warning 566: Unexpected iterator value in DoxygenParser::parse 2026-05-26T22:15:13,949 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:649: Warning 562: Expected Doxygen command: f$. 2026-05-26T22:15:13,950 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:649: Warning 566: Unexpected iterator value in DoxygenParser::parse 2026-05-26T22:15:13,951 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:649: Warning 561: Unexpected end of Doxygen comment encountered. 2026-05-26T22:15:13,951 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:624: Warning 560: Unknown Doxygen command: f$a. 2026-05-26T22:15:13,952 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:624: Warning 560: Unknown Doxygen command: f$c. 2026-05-26T22:15:13,952 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:631: Warning 560: Unknown Doxygen command: f$S. 2026-05-26T22:15:13,953 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:660: Warning 562: Expected Doxygen command: f$. 2026-05-26T22:15:13,954 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:660: Warning 566: Unexpected iterator value in DoxygenParser::parse 2026-05-26T22:15:13,954 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/stereo/stereo.h:660: Warning 561: Unexpected end of Doxygen comment encountered. 2026-05-26T22:15:13,954 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:404: Warning 509: Overloaded method OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const *) effectively ignored, 2026-05-26T22:15:13,955 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:403: Warning 509: as it is shadowed by OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const &). 2026-05-26T22:15:13,956 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:407: Warning 509: Overloaded method OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const *) effectively ignored, 2026-05-26T22:15:13,957 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:406: Warning 509: as it is shadowed by OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const &). 2026-05-26T22:15:13,957 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:410: Warning 509: Overloaded method OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const *) effectively ignored, 2026-05-26T22:15:13,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:409: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const &). 2026-05-26T22:15:13,958 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:413: Warning 509: Overloaded method OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const *) effectively ignored, 2026-05-26T22:15:13,959 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/obiter.h:412: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const &). 2026-05-26T22:18:20,262 [479/480] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o 2026-05-26T22:18:20,263 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:48642:117: warning: trigraph ??) ignored, use -trigraphs to enable [-Wtrigraphs] 2026-05-26T22:18:20,264 48642 | { "OBBond_SetWedgeOrHash", _wrap_OBBond_SetWedgeOrHash, METH_VARARGS, "Set the WedgeOrHash flag on a bond (??)"}, 2026-05-26T22:18:20,264 | 2026-05-26T22:18:20,265 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:56354:117: warning: trigraph ??) ignored, use -trigraphs to enable [-Wtrigraphs] 2026-05-26T22:18:20,265 56354 | { "OBBond_SetWedgeOrHash", _wrap_OBBond_SetWedgeOrHash, METH_VARARGS, "Set the WedgeOrHash flag on a bond (??)"}, 2026-05-26T22:18:20,266 | 2026-05-26T22:18:20,266 In file included from /usr/include/c++/12/vector:64, 2026-05-26T22:18:20,267 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/oberror.h:28, 2026-05-26T22:18:20,267 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/math/matrix3x3.h:27, 2026-05-26T22:18:20,268 from /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:3887: 2026-05-26T22:18:20,269 /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]’: 2026-05-26T22:18:20,269 /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 2026-05-26T22:18:20,270 1477 | insert(const_iterator __position, _InputIterator __first, 2026-05-26T22:18:20,270 | ^~~~~~ 2026-05-26T22:18:20,271 /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 2026-05-26T22:18:20,272 /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 2026-05-26T22:18:20,272 In file included from /usr/include/c++/12/vector:70: 2026-05-26T22:18:20,272 /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]’: 2026-05-26T22:18:20,273 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,273 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:18:20,274 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,274 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:18:20,275 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5266:30, 2026-05-26T22:18:20,275 inlined from ‘std::vector* std_vector_Sl_double_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5959:28, 2026-05-26T22:18:20,276 inlined from ‘PyObject* _wrap_vectorDouble___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:9424:108, 2026-05-26T22:18:20,276 inlined from ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:9495:50: 2026-05-26T22:18:20,277 /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 2026-05-26T22:18:20,277 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:18:20,278 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:18:20,279 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2026-05-26T22:18:20,279 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5281:28, 2026-05-26T22:18:20,280 inlined from ‘std::vector* std_vector_Sl_double_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5959:28, 2026-05-26T22:18:20,280 inlined from ‘PyObject* _wrap_vectorDouble___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:9424:108, 2026-05-26T22:18:20,281 inlined from ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:9495:50: 2026-05-26T22:18:20,281 /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 2026-05-26T22:18:20,282 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:18:20,282 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:18:20,283 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/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]’: 2026-05-26T22:18:20,283 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,284 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-05-26T22:18:20,284 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,285 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,285 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,286 5316 | self->insert(sb, is.begin(), is.end()); 2026-05-26T22:18:20,286 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,287 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,288 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/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]’: 2026-05-26T22:18:20,288 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,289 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-05-26T22:18:20,289 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,290 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,291 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,291 5316 | self->insert(sb, is.begin(), is.end()); 2026-05-26T22:18:20,292 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,292 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,293 /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]’: 2026-05-26T22:18:20,294 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,294 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:18:20,295 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,295 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:18:20,296 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5266:30, 2026-05-26T22:18:20,296 inlined from ‘std::vector* std_vector_Sl_OpenBabel_vector3_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6443:28, 2026-05-26T22:18:20,296 inlined from ‘PyObject* _wrap_vectorVector3___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:10423:143, 2026-05-26T22:18:20,297 inlined from ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:10495:51: 2026-05-26T22:18:20,298 /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 2026-05-26T22:18:20,299 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:18:20,300 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:18:20,300 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator]’, 2026-05-26T22:18:20,301 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5281:28, 2026-05-26T22:18:20,302 inlined from ‘std::vector* std_vector_Sl_OpenBabel_vector3_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6443:28, 2026-05-26T22:18:20,302 inlined from ‘PyObject* _wrap_vectorVector3___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:10423:143, 2026-05-26T22:18:20,303 inlined from ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:10495:51: 2026-05-26T22:18:20,303 /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 2026-05-26T22:18:20,304 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:18:20,304 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:18:20,305 /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]’: 2026-05-26T22:18:20,306 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,306 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:18:20,307 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,308 /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]’: 2026-05-26T22:18:20,316 /usr/include/c++/12/bits/vector.tcc:189:5: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,317 189 | vector<_Tp, _Alloc>:: 2026-05-26T22:18:20,317 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,318 /usr/include/c++/12/bits/vector.tcc:189:5: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,318 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:18:20,319 inlined from ‘void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5365:20, 2026-05-26T22:18:20,320 inlined from ‘void std_vector_Sl_OpenBabel_OBMol_Sg____delslice__(std::vector*, std::vector::difference_type, std::vector::difference_type)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6611:21, 2026-05-26T22:18:20,320 inlined from ‘PyObject* _wrap_vectorOBMol___delslice__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11109:51: 2026-05-26T22:18:20,321 /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 2026-05-26T22:18:20,322 1561 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); 2026-05-26T22:18:20,323 | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,323 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:18:20,324 inlined from ‘void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5365:20, 2026-05-26T22:18:20,325 inlined from ‘void std_vector_Sl_OpenBabel_OBMol_Sg____setitem____SWIG_1(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6647:21: 2026-05-26T22:18:20,326 /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 2026-05-26T22:18:20,326 1561 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); 2026-05-26T22:18:20,327 | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,328 In file included from /usr/include/c++/12/vector:63: 2026-05-26T22:18:20,328 /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*]’: 2026-05-26T22:18:20,329 /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 2026-05-26T22:18:20,329 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-05-26T22:18:20,330 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,330 /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 2026-05-26T22:18:20,331 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]’, 2026-05-26T22:18:20,332 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, 2026-05-26T22:18:20,332 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, 2026-05-26T22:18:20,333 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, 2026-05-26T22:18:20,334 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: 2026-05-26T22:18:20,334 /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 2026-05-26T22:18:20,335 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,335 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,336 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]’, 2026-05-26T22:18:20,336 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, 2026-05-26T22:18:20,337 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, 2026-05-26T22:18:20,338 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, 2026-05-26T22:18:20,338 inlined from ‘SwigValueWrapper& SwigValueWrapper::operator=(const T&) [with T = std::vector]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:3763:66, 2026-05-26T22:18:20,339 inlined from ‘PyObject* _wrap_OBOrbitalData_SetAlphaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:21026:15: 2026-05-26T22:18:20,339 /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 2026-05-26T22:18:20,340 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,340 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,341 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]’, 2026-05-26T22:18:20,342 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, 2026-05-26T22:18:20,343 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, 2026-05-26T22:18:20,344 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, 2026-05-26T22:18:20,344 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:918:15, 2026-05-26T22:18:20,345 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:925:41: 2026-05-26T22:18:20,346 /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 2026-05-26T22:18:20,346 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,347 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,347 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]’, 2026-05-26T22:18:20,348 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, 2026-05-26T22:18:20,349 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, 2026-05-26T22:18:20,349 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, 2026-05-26T22:18:20,350 inlined from ‘OpenBabel::OBOrbitalData::OBOrbitalData(const OpenBabel::OBOrbitalData&)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:918:15, 2026-05-26T22:18:20,351 inlined from ‘virtual OpenBabel::OBGenericData* OpenBabel::OBOrbitalData::Clone(OpenBabel::OBBase*) const’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:925:41: 2026-05-26T22:18:20,351 /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 2026-05-26T22:18:20,352 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,352 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,353 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]’, 2026-05-26T22:18:20,354 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, 2026-05-26T22:18:20,355 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, 2026-05-26T22:18:20,355 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, 2026-05-26T22:18:20,356 inlined from ‘std::vector OpenBabel::OBOrbitalData::GetBetaOrbitals()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:943:55, 2026-05-26T22:18:20,356 inlined from ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:21122:98: 2026-05-26T22:18:20,357 /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 2026-05-26T22:18:20,358 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,358 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,359 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]’, 2026-05-26T22:18:20,359 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, 2026-05-26T22:18:20,360 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, 2026-05-26T22:18:20,360 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, 2026-05-26T22:18:20,361 inlined from ‘std::vector OpenBabel::OBOrbitalData::GetAlphaOrbitals()’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/include/openbabel/generic.h:942:56, 2026-05-26T22:18:20,362 inlined from ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:21113:99: 2026-05-26T22:18:20,362 /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 2026-05-26T22:18:20,363 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,364 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,365 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]’, 2026-05-26T22:18:20,365 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, 2026-05-26T22:18:20,366 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, 2026-05-26T22:18:20,366 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, 2026-05-26T22:18:20,367 inlined from ‘SwigValueWrapper& SwigValueWrapper::operator=(const T&) [with T = std::vector]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:3763:66, 2026-05-26T22:18:20,368 inlined from ‘PyObject* _wrap_OBOrbitalData_SetBetaOrbitals(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:21043:15: 2026-05-26T22:18:20,368 /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 2026-05-26T22:18:20,369 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,369 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,370 /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*]’: 2026-05-26T22:18:20,370 /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 2026-05-26T22:18:20,371 113 | __do_uninit_copy(_InputIterator __first, _InputIterator __last, 2026-05-26T22:18:20,371 | ^~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,372 /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 2026-05-26T22:18:20,372 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]’, 2026-05-26T22:18:20,373 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, 2026-05-26T22:18:20,374 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, 2026-05-26T22:18:20,374 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, 2026-05-26T22:18:20,375 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, 2026-05-26T22:18:20,375 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5260:16, 2026-05-26T22:18:20,376 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6602:28, 2026-05-26T22:18:20,377 inlined from ‘PyObject* _wrap_vectorOBMol___getslice__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11038:130: 2026-05-26T22:18:20,377 /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 2026-05-26T22:18:20,378 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,378 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,379 /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]’: 2026-05-26T22:18:20,379 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,380 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:18:20,380 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,381 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]’, 2026-05-26T22:18:20,381 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, 2026-05-26T22:18:20,382 inlined from ‘static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = OpenBabel::vector3]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5400:22, 2026-05-26T22:18:20,383 inlined from ‘static int swig::traits_asptr_stdseq::asptr(PyObject*, sequence**) [with Seq = std::vector; T = OpenBabel::vector3]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5445:45: 2026-05-26T22:18:20,384 /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 2026-05-26T22:18:20,384 366 | _M_realloc_insert(begin() + __n, std::move(__v)); 2026-05-26T22:18:20,385 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,386 /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]’: 2026-05-26T22:18:20,386 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2026-05-26T22:18:20,387 439 | vector<_Tp, _Alloc>:: 2026-05-26T22:18:20,387 | ^~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,388 /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]’: 2026-05-26T22:18:20,389 /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 2026-05-26T22:18:20,390 1477 | insert(const_iterator __position, _InputIterator __first, 2026-05-26T22:18:20,390 | ^~~~~~ 2026-05-26T22:18:20,390 /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 2026-05-26T22:18:20,391 /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 2026-05-26T22:18:20,391 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/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]’: 2026-05-26T22:18:20,392 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,392 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-05-26T22:18:20,393 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,394 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,394 In member function ‘std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::erase(const_iterator, const_iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:18:20,395 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-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5313:22: 2026-05-26T22:18:20,395 /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 2026-05-26T22:18:20,396 1561 | return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg)); 2026-05-26T22:18:20,397 | ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,397 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/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]’: 2026-05-26T22:18:20,398 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,398 5316 | self->insert(sb, is.begin(), is.end()); 2026-05-26T22:18:20,399 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,400 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,400 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/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]’: 2026-05-26T22:18:20,402 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,402 5306 | self->insert(std::copy(is.begin(), isit, sb), isit, is.end()); 2026-05-26T22:18:20,403 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,403 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5306:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,404 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘std::vector::const_iterator’ changed in GCC 7.1 2026-05-26T22:18:20,404 5316 | self->insert(sb, is.begin(), is.end()); 2026-05-26T22:18:20,405 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,405 /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5316:23: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2026-05-26T22:18:20,406 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]’, 2026-05-26T22:18:20,407 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, 2026-05-26T22:18:20,408 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, 2026-05-26T22:18:20,409 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, 2026-05-26T22:18:20,409 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, 2026-05-26T22:18:20,410 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5260:16, 2026-05-26T22:18:20,411 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6625:28, 2026-05-26T22:18:20,412 inlined from ‘PyObject* _wrap_vectorOBMol___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11133:137, 2026-05-26T22:18:20,412 inlined from ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11205:49: 2026-05-26T22:18:20,413 /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 2026-05-26T22:18:20,414 137 | { return std::__do_uninit_copy(__first, __last, __result); } 2026-05-26T22:18:20,414 | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,415 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:18:20,415 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5266:30, 2026-05-26T22:18:20,416 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6625:28, 2026-05-26T22:18:20,416 inlined from ‘PyObject* _wrap_vectorOBMol___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11133:137, 2026-05-26T22:18:20,417 inlined from ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11205:49: 2026-05-26T22:18:20,418 /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 2026-05-26T22:18:20,419 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:18:20,419 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:18:20,420 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator]’, 2026-05-26T22:18:20,420 inlined from ‘Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector; Difference = int]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5281:28, 2026-05-26T22:18:20,421 inlined from ‘std::vector* std_vector_Sl_OpenBabel_OBMol_Sg____getitem____SWIG_0(std::vector*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:6625:28, 2026-05-26T22:18:20,421 inlined from ‘PyObject* _wrap_vectorOBMol___getitem____SWIG_0(PyObject*, Py_ssize_t, PyObject**)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11133:137, 2026-05-26T22:18:20,422 inlined from ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:11205:49: 2026-05-26T22:18:20,423 /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 2026-05-26T22:18:20,423 1287 | _M_realloc_insert(end(), __x); 2026-05-26T22:18:20,424 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2026-05-26T22:18:20,424 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]’, 2026-05-26T22:18:20,425 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, 2026-05-26T22:18:20,425 inlined from ‘static void swig::IteratorProtocol::assign(PyObject*, Seq*) [with Seq = std::vector; T = OpenBabel::OBMol]’ at /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/openbabel-python.cpp:5400:22: 2026-05-26T22:18:20,425 /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 2026-05-26T22:18:20,426 366 | _M_realloc_insert(begin() + __n, std::move(__v)); 2026-05-26T22:18:20,427 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2026-05-26T22:18:20,856 [480/480] Linking CXX shared module /tmp/pip-wheel-37ma2zah/openbabel_6519f9f0d16545e98ddd0f02b1d682f6/scripts/python/openbabel/_openbabel.so 2026-05-26T22:18:20,862 *** Installing project into wheel... 2026-05-26T22:18:20,902 -- Install configuration: "Release" 2026-05-26T22:18:20,907 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/include/openbabel3/openbabel/babelconfig.h 2026-05-26T22:18:20,912 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/pkgconfig/openbabel-3.pc 2026-05-26T22:18:20,916 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake 2026-05-26T22:18:20,920 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake 2026-05-26T22:18:20,923 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3Config.cmake 2026-05-26T22:18:20,925 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake 2026-05-26T22:18:20,931 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/include/inchi/inchi_api.h 2026-05-26T22:18:20,935 -- Installing: 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/tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obrms.1 2026-05-26T22:18:21,465 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obrotamer.1 2026-05-26T22:18:21,468 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obrotate.1 2026-05-26T22:18:21,472 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obspectrophore.1 2026-05-26T22:18:21,475 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obsym.1 2026-05-26T22:18:21,478 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obtautomer.1 2026-05-26T22:18:21,481 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/obthermo.1 2026-05-26T22:18:21,484 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/man/man1/roundtrip.1 2026-05-26T22:18:21,487 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/share/openbabel/3.2.0/splash.png 2026-05-26T22:18:21,494 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libopenbabel.so.8.0.0 2026-05-26T22:18:21,569 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libopenbabel.so.8 2026-05-26T22:18:21,572 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libopenbabel.so.8.0.0" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,680 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libopenbabel.so 2026-05-26T22:18:21,683 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_descriptors.so 2026-05-26T22:18:21,689 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_descriptors.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,704 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_fingerprints.so 2026-05-26T22:18:21,710 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_fingerprints.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,725 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_forcefields.so 2026-05-26T22:18:21,737 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_forcefields.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,763 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_ops.so 2026-05-26T22:18:21,772 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_ops.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,793 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_charges.so 2026-05-26T22:18:21,801 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/plugin_charges.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,831 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/smilesformat.so 2026-05-26T22:18:21,838 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/smilesformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,856 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mdlformat.so 2026-05-26T22:18:21,862 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mdlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,879 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mol2format.so 2026-05-26T22:18:21,884 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mol2format.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,899 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pdbformat.so 2026-05-26T22:18:21,905 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pdbformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,920 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/inchiformat.so 2026-05-26T22:18:21,926 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/inchiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,941 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/asciiformat.so 2026-05-26T22:18:21,946 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/asciiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,959 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/copyformat.so 2026-05-26T22:18:21,963 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/copyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,976 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/MNAformat.so 2026-05-26T22:18:21,981 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/MNAformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:21,995 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/molreport.so 2026-05-26T22:18:22,000 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/molreport.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,013 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/nulformat.so 2026-05-26T22:18:22,018 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/nulformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,031 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/painterformat.so 2026-05-26T22:18:22,036 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/painterformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,050 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/povrayformat.so 2026-05-26T22:18:22,056 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/povrayformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,071 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/reportformat.so 2026-05-26T22:18:22,076 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/reportformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,090 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/svgformat.so 2026-05-26T22:18:22,095 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/svgformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,110 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/textformat.so 2026-05-26T22:18:22,115 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/textformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,129 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/titleformat.so 2026-05-26T22:18:22,134 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/titleformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,148 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/confabreport.so 2026-05-26T22:18:22,153 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/confabreport.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,167 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pngformat.so 2026-05-26T22:18:22,172 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pngformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,185 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/acesformat.so 2026-05-26T22:18:22,190 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/acesformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,204 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/abinitformat.so 2026-05-26T22:18:22,209 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/abinitformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,223 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/adfformat.so 2026-05-26T22:18:22,229 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/adfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,251 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/aoforceformat.so 2026-05-26T22:18:22,258 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/aoforceformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,278 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/castepformat.so 2026-05-26T22:18:22,285 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/castepformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,305 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/crystal09format.so 2026-05-26T22:18:22,312 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/crystal09format.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,332 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/daltonformat.so 2026-05-26T22:18:22,339 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/daltonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,357 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/dmolformat.so 2026-05-26T22:18:22,363 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/dmolformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,382 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fchkformat.so 2026-05-26T22:18:22,389 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fchkformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,411 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fhiaimsformat.so 2026-05-26T22:18:22,417 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fhiaimsformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,435 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gamessformat.so 2026-05-26T22:18:22,443 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gamessformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,464 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gaussformat.so 2026-05-26T22:18:22,473 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gaussformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,495 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gausscubeformat.so 2026-05-26T22:18:22,501 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gausscubeformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,520 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gausszmatformat.so 2026-05-26T22:18:22,526 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gausszmatformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,546 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gulpformat.so 2026-05-26T22:18:22,553 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gulpformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,572 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/hinformat.so 2026-05-26T22:18:22,579 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/hinformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,598 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/jaguarformat.so 2026-05-26T22:18:22,604 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/jaguarformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,624 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/molproformat.so 2026-05-26T22:18:22,631 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/molproformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,652 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mopacformat.so 2026-05-26T22:18:22,660 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mopacformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,681 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/nwchemformat.so 2026-05-26T22:18:22,690 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/nwchemformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,712 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pwscfformat.so 2026-05-26T22:18:22,719 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pwscfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,738 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/qchemformat.so 2026-05-26T22:18:22,745 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/qchemformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,766 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/siestaformat.so 2026-05-26T22:18:22,773 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/siestaformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,793 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/turbomoleformat.so 2026-05-26T22:18:22,800 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/turbomoleformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,819 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/vaspformat.so 2026-05-26T22:18:22,827 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/vaspformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,848 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xsfformat.so 2026-05-26T22:18:22,853 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xsfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,871 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/zindoformat.so 2026-05-26T22:18:22,877 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/zindoformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,894 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gamessukformat.so 2026-05-26T22:18:22,905 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gamessukformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,931 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/orcaformat.so 2026-05-26T22:18:22,942 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/orcaformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,970 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/APIInterface.so 2026-05-26T22:18:22,977 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/APIInterface.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:22,995 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/CSRformat.so 2026-05-26T22:18:23,002 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/CSRformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,020 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/PQSformat.so 2026-05-26T22:18:23,028 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/PQSformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,046 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/MCDLformat.so 2026-05-26T22:18:23,054 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/MCDLformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,074 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/alchemyformat.so 2026-05-26T22:18:23,080 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/alchemyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,098 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/acrformat.so 2026-05-26T22:18:23,104 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/acrformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,122 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/amberformat.so 2026-05-26T22:18:23,128 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/amberformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,146 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/balstformat.so 2026-05-26T22:18:23,152 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/balstformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,171 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/bgfformat.so 2026-05-26T22:18:23,177 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/bgfformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,196 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/boxformat.so 2026-05-26T22:18:23,203 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/boxformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,222 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cacaoformat.so 2026-05-26T22:18:23,230 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cacaoformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,248 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cacheformat.so 2026-05-26T22:18:23,255 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cacheformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,272 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/carformat.so 2026-05-26T22:18:23,278 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/carformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,296 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cccformat.so 2026-05-26T22:18:23,302 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cccformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,319 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chem3dformat.so 2026-05-26T22:18:23,326 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chem3dformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,343 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemdrawcdx.so 2026-05-26T22:18:23,351 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemdrawcdx.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,371 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemdrawct.so 2026-05-26T22:18:23,377 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemdrawct.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,394 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemkinformat.so 2026-05-26T22:18:23,403 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemkinformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,424 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemtoolformat.so 2026-05-26T22:18:23,431 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemtoolformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,449 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cifformat.so 2026-05-26T22:18:23,458 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cifformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,480 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cofformat.so 2026-05-26T22:18:23,487 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cofformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,506 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/crkformat.so 2026-05-26T22:18:23,513 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/crkformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,532 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cssrformat.so 2026-05-26T22:18:23,538 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cssrformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,557 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/dlpolyformat.so 2026-05-26T22:18:23,565 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/dlpolyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,587 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/exyzformat.so 2026-05-26T22:18:23,595 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/exyzformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,616 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fastsearchformat.so 2026-05-26T22:18:23,625 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fastsearchformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,647 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fastaformat.so 2026-05-26T22:18:23,659 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fastaformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,689 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/featformat.so 2026-05-26T22:18:23,695 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/featformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,715 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fhformat.so 2026-05-26T22:18:23,723 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fhformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,742 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fingerprintformat.so 2026-05-26T22:18:23,749 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fingerprintformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,768 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fpsformat.so 2026-05-26T22:18:23,776 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/fpsformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,796 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/freefracformat.so 2026-05-26T22:18:23,802 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/freefracformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,821 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/ghemicalformat.so 2026-05-26T22:18:23,827 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/ghemicalformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,845 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gromos96format.so 2026-05-26T22:18:23,852 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/gromos96format.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,870 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/groformat.so 2026-05-26T22:18:23,878 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/groformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,897 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/lmpdatformat.so 2026-05-26T22:18:23,904 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/lmpdatformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,922 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/lpmdformat.so 2026-05-26T22:18:23,929 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/lpmdformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,949 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mdffformat.so 2026-05-26T22:18:23,957 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mdffformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:23,977 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mmcifformat.so 2026-05-26T22:18:23,986 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mmcifformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,009 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mmodformat.so 2026-05-26T22:18:24,016 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mmodformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,036 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/moldenformat.so 2026-05-26T22:18:24,043 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/moldenformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,063 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mpdformat.so 2026-05-26T22:18:24,069 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mpdformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,087 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mpqcformat.so 2026-05-26T22:18:24,093 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/mpqcformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,111 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/msiformat.so 2026-05-26T22:18:24,117 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/msiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,135 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/msmsformat.so 2026-05-26T22:18:24,141 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/msmsformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,159 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/opendxformat.so 2026-05-26T22:18:24,167 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/opendxformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,187 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/outformat.so 2026-05-26T22:18:24,193 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/outformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,213 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pcmodelformat.so 2026-05-26T22:18:24,219 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pcmodelformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,238 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pdbqtformat.so 2026-05-26T22:18:24,247 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pdbqtformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,269 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pointcloudformat.so 2026-05-26T22:18:24,275 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pointcloudformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,294 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/posformat.so 2026-05-26T22:18:24,301 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/posformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,321 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pqrformat.so 2026-05-26T22:18:24,328 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pqrformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,348 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/rinchiformat.so 2026-05-26T22:18:24,354 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/rinchiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,373 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/rsmiformat.so 2026-05-26T22:18:24,379 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/rsmiformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,397 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/rxnformat.so 2026-05-26T22:18:24,403 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/rxnformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,421 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/shelxformat.so 2026-05-26T22:18:24,427 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/shelxformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,445 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/smileyformat.so 2026-05-26T22:18:24,453 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/smileyformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,474 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/stlformat.so 2026-05-26T22:18:24,481 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/stlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,500 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/thermoformat.so 2026-05-26T22:18:24,507 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/thermoformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,527 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/tinkerformat.so 2026-05-26T22:18:24,534 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/tinkerformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,553 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/unichemformat.so 2026-05-26T22:18:24,559 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/unichemformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,577 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/viewmolformat.so 2026-05-26T22:18:24,583 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/viewmolformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,600 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/wlnformat.so 2026-05-26T22:18:24,607 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/wlnformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,628 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xedformat.so 2026-05-26T22:18:24,634 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xedformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,652 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xyzformat.so 2026-05-26T22:18:24,659 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xyzformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,678 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/yasaraformat.so 2026-05-26T22:18:24,684 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/yasaraformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,702 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cdxmlformat.so 2026-05-26T22:18:24,709 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cdxmlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,728 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cmlformat.so 2026-05-26T22:18:24,738 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cmlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,764 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cmlreactformat.so 2026-05-26T22:18:24,773 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/cmlreactformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,796 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pubchem.so 2026-05-26T22:18:24,803 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pubchem.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,823 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xmlformat.so 2026-05-26T22:18:24,829 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/xmlformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,849 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemdoodlejsonformat.so 2026-05-26T22:18:24,857 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemdoodlejsonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,878 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemicaljsonformat.so 2026-05-26T22:18:24,886 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/chemicaljsonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,907 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/ketformat.so 2026-05-26T22:18:24,918 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/ketformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,943 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pubchemjsonformat.so 2026-05-26T22:18:24,953 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/openbabel/3.2.0/pubchemjsonformat.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:24,977 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libinchi.so.1.07.4 2026-05-26T22:18:25,008 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libinchi.so.1 2026-05-26T22:18:25,010 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libinchi.so.1.07.4" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,076 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/lib/libinchi.so 2026-05-26T22:18:25,081 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obabel 2026-05-26T22:18:25,086 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obabel" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,100 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obconformer 2026-05-26T22:18:25,105 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obconformer" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,118 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obenergy 2026-05-26T22:18:25,122 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obenergy" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,136 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obfit 2026-05-26T22:18:25,140 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obfit" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,154 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obfitall 2026-05-26T22:18:25,159 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obfitall" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,172 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obgen 2026-05-26T22:18:25,177 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obgen" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,190 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obminimize 2026-05-26T22:18:25,195 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obminimize" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,208 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obmm 2026-05-26T22:18:25,213 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obmm" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,226 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obprobe 2026-05-26T22:18:25,230 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obprobe" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,243 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obprop 2026-05-26T22:18:25,248 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obprop" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,261 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obrotamer 2026-05-26T22:18:25,266 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obrotamer" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,279 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obrotate 2026-05-26T22:18:25,284 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obrotate" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,297 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obsym 2026-05-26T22:18:25,301 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obsym" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,314 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obtautomer 2026-05-26T22:18:25,319 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obtautomer" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,332 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obthermo 2026-05-26T22:18:25,337 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obthermo" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,350 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obdistgen 2026-05-26T22:18:25,355 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obdistgen" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,368 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obgrep 2026-05-26T22:18:25,373 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obgrep" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,385 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obspectrophore 2026-05-26T22:18:25,391 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obspectrophore" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,406 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obrms 2026-05-26T22:18:25,410 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/bin/obrms" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,426 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/./_openbabel.so 2026-05-26T22:18:25,480 -- Set runtime path of "/tmp/tmphp45v0ub/wheel/platlib/openbabel/./_openbabel.so" to "$ORIGIN:$ORIGIN/lib:$ORIGIN/../lib:$ORIGIN/..:$ORIGIN/../.." 2026-05-26T22:18:25,598 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/./__init__.py 2026-05-26T22:18:25,601 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/./openbabel.py 2026-05-26T22:18:25,609 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/./pybel.py 2026-05-26T22:18:25,612 -- Installing: /tmp/tmphp45v0ub/wheel/platlib/openbabel/./executable.py 2026-05-26T22:18:25,621 *** Making wheel... 2026-05-26T22:18:32,007 *** Created openbabel-3.2.0-cp311-cp311-linux_armv7l.whl 2026-05-26T22:18:32,092 Building wheel for openbabel (pyproject.toml): finished with status 'done' 2026-05-26T22:18:32,199 Created wheel for openbabel: filename=openbabel-3.2.0-cp311-cp311-linux_armv7l.whl size=10163923 sha256=d7e87fb68f9d63559cf9e88b9f9a8990a30f1d2effda0dee531f11b880ffb051 2026-05-26T22:18:32,200 Stored in directory: /tmp/pip-ephem-wheel-cache-gct5w6eo/wheels/b2/51/02/91e74189863b71cc635e5999d9b193d9c58f22d7d193c5259a 2026-05-26T22:18:32,225 Successfully built openbabel 2026-05-26T22:18:32,488 Removed build tracker: '/tmp/pip-build-tracker-yr66onrh'