2024-07-11T15:21:26,460 Created temporary directory: /tmp/pip-build-tracker-3t8rbhs_ 2024-07-11T15:21:26,461 Initialized build tracking at /tmp/pip-build-tracker-3t8rbhs_ 2024-07-11T15:21:26,461 Created build tracker: /tmp/pip-build-tracker-3t8rbhs_ 2024-07-11T15:21:26,462 Entered build tracker: /tmp/pip-build-tracker-3t8rbhs_ 2024-07-11T15:21:26,462 Created temporary directory: /tmp/pip-wheel-ius0kiv5 2024-07-11T15:21:26,466 Created temporary directory: /tmp/pip-ephem-wheel-cache-etng8754 2024-07-11T15:21:26,493 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-07-11T15:21:26,496 2 location(s) to search for versions of moleculekit: 2024-07-11T15:21:26,496 * https://pypi.org/simple/moleculekit/ 2024-07-11T15:21:26,496 * https://www.piwheels.org/simple/moleculekit/ 2024-07-11T15:21:26,497 Fetching project page and analyzing links: https://pypi.org/simple/moleculekit/ 2024-07-11T15:21:26,497 Getting page https://pypi.org/simple/moleculekit/ 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version: 1.9.0 2024-07-11T15:21:26,755 Found link https://files.pythonhosted.org/packages/03/ac/c81679ee7481d8dd7e0fa576dafe3963c48c065ab2ca808b53f59693c211/moleculekit-1.9.1.tar.gz (from https://pypi.org/simple/moleculekit/) (requires-python:>=3.8), version: 1.9.1 2024-07-11T15:21:26,755 Found link https://files.pythonhosted.org/packages/32/f1/d21bc1d0589eb9e230a6f35f2650e452a0f85915c109cf8284747fea3232/moleculekit-1.9.2.tar.gz (from https://pypi.org/simple/moleculekit/) (requires-python:>=3.8), version: 1.9.2 2024-07-11T15:21:26,756 Found link https://files.pythonhosted.org/packages/ca/05/d8f5b1524d14a61baab43f3e90980410577ccf19eb191053c29e134c534f/moleculekit-1.9.3.tar.gz (from https://pypi.org/simple/moleculekit/) (requires-python:>=3.8), version: 1.9.3 2024-07-11T15:21:26,756 Fetching project page and analyzing links: https://www.piwheels.org/simple/moleculekit/ 2024-07-11T15:21:26,756 Getting page https://www.piwheels.org/simple/moleculekit/ 2024-07-11T15:21:26,757 Found index url https://www.piwheels.org/simple/ 2024-07-11T15:21:26,855 Fetched page https://www.piwheels.org/simple/moleculekit/ as text/html 2024-07-11T15:21:26,957 Skipping link: No binaries permitted for moleculekit: https://www.piwheels.org/simple/moleculekit/moleculekit-1.9.1-cp39-cp39-linux_armv6l.whl#sha256=7bfd68c4ee35c25aa2569cac08a2934d167dca7b1acd437b5ce788f78566e029 (from https://www.piwheels.org/simple/moleculekit/) (requires-python:>=3.8) 2024-07-11T15:21:26,957 Skipping link: No binaries permitted for moleculekit: https://www.piwheels.org/simple/moleculekit/moleculekit-1.9.1-cp39-cp39-linux_armv7l.whl#sha256=7bfd68c4ee35c25aa2569cac08a2934d167dca7b1acd437b5ce788f78566e029 (from https://www.piwheels.org/simple/moleculekit/) (requires-python:>=3.8) 2024-07-11T15:21:26,957 Skipping link: No binaries permitted for moleculekit: 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https://www.piwheels.org/simple/moleculekit/moleculekit-0.1.5-py3-none-any.whl#sha256=2f111e31b3f90e63ca0154c528585208b8bd41a065aa0078325683f4b36eacec (from https://www.piwheels.org/simple/moleculekit/) 2024-07-11T15:21:27,028 Skipping link: No binaries permitted for moleculekit: https://www.piwheels.org/simple/moleculekit/moleculekit-0.1.4-py3-none-any.whl#sha256=5784491ff294e145a00311f8239aaa0b92c12605db0508ee3e10469b80d4cadd (from https://www.piwheels.org/simple/moleculekit/) 2024-07-11T15:21:27,028 Skipping link: not a file: https://www.piwheels.org/simple/moleculekit/ 2024-07-11T15:21:27,028 Skipping link: not a file: https://pypi.org/simple/moleculekit/ 2024-07-11T15:21:27,073 Given no hashes to check 1 links for project 'moleculekit': discarding no candidates 2024-07-11T15:21:27,090 Collecting moleculekit==1.9.2 2024-07-11T15:21:27,092 Created temporary directory: /tmp/pip-unpack-wt7moevv 2024-07-11T15:21:27,135 Downloading moleculekit-1.9.2.tar.gz (6.8 MB) 2024-07-11T15:21:29,352 Added moleculekit==1.9.2 from https://files.pythonhosted.org/packages/32/f1/d21bc1d0589eb9e230a6f35f2650e452a0f85915c109cf8284747fea3232/moleculekit-1.9.2.tar.gz to build tracker '/tmp/pip-build-tracker-3t8rbhs_' 2024-07-11T15:21:29,361 Created temporary directory: /tmp/pip-build-env-o3rem83j 2024-07-11T15:21:29,370 Installing build dependencies: started 2024-07-11T15:21:29,371 Running command pip subprocess to install build dependencies 2024-07-11T15:21:30,537 Using pip 24.0 from /usr/local/lib/python3.9/dist-packages/pip (python 3.9) 2024-07-11T15:21:31,067 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-07-11T15:21:32,553 Collecting setuptools 2024-07-11T15:21:32,573 Using cached https://www.piwheels.org/simple/setuptools/setuptools-70.3.0-py3-none-any.whl (931 kB) 2024-07-11T15:21:33,660 Collecting numpy>=1.18.5 2024-07-11T15:21:33,676 Using cached https://www.piwheels.org/simple/numpy/numpy-2.0.0-cp39-cp39-linux_armv7l.whl (5.8 MB) 2024-07-11T15:21:35,272 Collecting Cython>=0.29.21 2024-07-11T15:21:35,289 Using cached https://www.piwheels.org/simple/cython/Cython-3.0.10-cp39-cp39-linux_armv7l.whl (10.7 MB) 2024-07-11T15:21:35,665 Collecting toml 2024-07-11T15:21:35,687 Using cached https://www.piwheels.org/simple/toml/toml-0.10.2-py2.py3-none-any.whl (16 kB) 2024-07-11T15:21:35,788 Collecting versioneer==0.28 (from versioneer[toml]==0.28) 2024-07-11T15:21:35,809 Using cached https://www.piwheels.org/simple/versioneer/versioneer-0.28-py3-none-any.whl (45 kB) 2024-07-11T15:21:35,944 Collecting tomli (from versioneer[toml]==0.28) 2024-07-11T15:21:35,961 Using cached https://www.piwheels.org/simple/tomli/tomli-2.0.1-py3-none-any.whl (12 kB) 2024-07-11T15:21:37,776 Installing collected packages: versioneer, tomli, toml, setuptools, numpy, Cython 2024-07-11T15:21:37,815 Creating /tmp/pip-build-env-o3rem83j/overlay/bin 2024-07-11T15:21:37,818 changing mode of /tmp/pip-build-env-o3rem83j/overlay/bin/versioneer to 755 2024-07-11T15:21:48,421 changing mode of /tmp/pip-build-env-o3rem83j/overlay/bin/f2py to 755 2024-07-11T15:21:48,424 changing mode of /tmp/pip-build-env-o3rem83j/overlay/bin/numpy-config to 755 2024-07-11T15:21:51,876 changing mode of /tmp/pip-build-env-o3rem83j/overlay/bin/cygdb to 755 2024-07-11T15:21:51,878 changing mode of /tmp/pip-build-env-o3rem83j/overlay/bin/cython to 755 2024-07-11T15:21:51,881 changing mode of /tmp/pip-build-env-o3rem83j/overlay/bin/cythonize to 755 2024-07-11T15:21:51,906 Successfully installed Cython-3.0.10 numpy-2.0.0 setuptools-70.3.0 toml-0.10.2 tomli-2.0.1 versioneer-0.28 2024-07-11T15:21:52,088 [notice] A new release of pip is available: 24.0 -> 24.1.2 2024-07-11T15:21:52,088 [notice] To update, run: python3 -m pip install --upgrade pip 2024-07-11T15:21:52,568 Installing build dependencies: finished with status 'done' 2024-07-11T15:21:52,573 Getting requirements to build wheel: started 2024-07-11T15:21:52,574 Running command Getting requirements to build wheel 2024-07-11T15:22:31,448 warning: moleculekit/wrapping/wrapping.pyx:47:4: Unreachable code 2024-07-11T15:22:41,115 Compiling moleculekit/interactions/hbonds/hbonds.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/interactions/pipi/pipi.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/interactions/cationpi/cationpi.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/interactions/sigmahole/sigmahole.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/wrapping/wrapping.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/bondguesser_utils/bondguesser_utils.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/atomselect_utils/atomselect_utils.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/distance_utils/distance_utils.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,116 Compiling moleculekit/occupancy_utils/occupancy_utils.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,117 Compiling moleculekit/cython_utils/cython_utils.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,117 Compiling moleculekit/fileformats/xtc/xtc.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libc/string.pxd. 2024-07-11T15:22:41,117 Compiling moleculekit/fileformats/xtc/trr.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libc/string.pxd. 2024-07-11T15:22:41,117 Compiling moleculekit/fileformats/dcd/dcd.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libc/string.pxd. 2024-07-11T15:22:41,117 Compiling moleculekit/fileformats/binpos/binpos.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libc/string.pxd. 2024-07-11T15:22:41,117 Compiling moleculekit/tmalign/tmalign_util.pyx because it depends on /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/Cython/Includes/libcpp/vector.pxd. 2024-07-11T15:22:41,117 [ 1/15] Cythonizing moleculekit/atomselect_utils/atomselect_utils.pyx 2024-07-11T15:22:41,117 [ 2/15] Cythonizing moleculekit/bondguesser_utils/bondguesser_utils.pyx 2024-07-11T15:22:41,117 [ 3/15] Cythonizing moleculekit/cython_utils/cython_utils.pyx 2024-07-11T15:22:41,118 [ 4/15] Cythonizing moleculekit/distance_utils/distance_utils.pyx 2024-07-11T15:22:41,118 [ 5/15] Cythonizing moleculekit/fileformats/dcd/dcd.pyx 2024-07-11T15:22:41,118 [ 6/15] Cythonizing moleculekit/interactions/cationpi/cationpi.pyx 2024-07-11T15:22:41,118 [ 7/15] Cythonizing moleculekit/interactions/hbonds/hbonds.pyx 2024-07-11T15:22:41,118 [ 8/15] Cythonizing moleculekit/interactions/pipi/pipi.pyx 2024-07-11T15:22:41,118 [ 9/15] Cythonizing moleculekit/interactions/sigmahole/sigmahole.pyx 2024-07-11T15:22:41,118 [10/15] Cythonizing moleculekit/occupancy_utils/occupancy_utils.pyx 2024-07-11T15:22:41,118 [11/15] Cythonizing moleculekit/tmalign/tmalign_util.pyx 2024-07-11T15:22:41,118 [12/15] Cythonizing moleculekit/wrapping/wrapping.pyx 2024-07-11T15:22:41,119 [13/15] Cythonizing moleculekit/fileformats/binpos/binpos.pyx 2024-07-11T15:22:41,119 [14/15] Cythonizing moleculekit/fileformats/xtc/trr.pyx 2024-07-11T15:22:41,119 [15/15] Cythonizing moleculekit/fileformats/xtc/xtc.pyx 2024-07-11T15:22:41,441 running egg_info 2024-07-11T15:22:41,448 writing moleculekit.egg-info/PKG-INFO 2024-07-11T15:22:41,452 writing dependency_links to moleculekit.egg-info/dependency_links.txt 2024-07-11T15:22:41,454 writing requirements to moleculekit.egg-info/requires.txt 2024-07-11T15:22:41,455 writing top-level names to moleculekit.egg-info/top_level.txt 2024-07-11T15:22:41,488 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 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build wheel: finished with status 'done' 2024-07-11T15:22:43,513 Created temporary directory: /tmp/pip-modern-metadata-xowseqwt 2024-07-11T15:22:43,516 Preparing metadata (pyproject.toml): started 2024-07-11T15:22:43,517 Running command Preparing metadata (pyproject.toml) 2024-07-11T15:22:45,923 running dist_info 2024-07-11T15:22:45,925 creating /tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info 2024-07-11T15:22:45,931 writing /tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/PKG-INFO 2024-07-11T15:22:45,935 writing dependency_links to /tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/dependency_links.txt 2024-07-11T15:22:45,937 writing requirements to /tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/requires.txt 2024-07-11T15:22:45,938 writing top-level names to /tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/top_level.txt 2024-07-11T15:22:45,939 writing manifest file '/tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/SOURCES.txt' 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the manifest: the path must be relative 2024-07-11T15:22:45,971 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,973 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,973 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,973 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,973 dependency 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the manifest: the path must be relative 2024-07-11T15:22:45,975 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,975 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,975 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,976 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,976 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,976 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,976 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:45,982 reading manifest file '/tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/SOURCES.txt' 2024-07-11T15:22:45,985 reading manifest template 'MANIFEST.in' 2024-07-11T15:22:46,234 no previously-included directories found matching 'moleculekit/test-data' 2024-07-11T15:22:46,235 no previously-included directories found matching 'moleculekit/tests' 2024-07-11T15:22:46,236 no previously-included directories found matching 'package' 2024-07-11T15:22:46,236 adding license file 'LICENSE' 2024-07-11T15:22:46,250 writing manifest file '/tmp/pip-modern-metadata-xowseqwt/moleculekit.egg-info/SOURCES.txt' 2024-07-11T15:22:46,259 creating '/tmp/pip-modern-metadata-xowseqwt/moleculekit-1.9.2.dist-info' 2024-07-11T15:22:46,447 Preparing metadata (pyproject.toml): finished with status 'done' 2024-07-11T15:22:46,454 Source in /tmp/pip-wheel-ius0kiv5/moleculekit_7c824926e3c546ff87926d90365ea21e has version 1.9.2, which satisfies requirement moleculekit==1.9.2 from https://files.pythonhosted.org/packages/32/f1/d21bc1d0589eb9e230a6f35f2650e452a0f85915c109cf8284747fea3232/moleculekit-1.9.2.tar.gz 2024-07-11T15:22:46,455 Removed moleculekit==1.9.2 from https://files.pythonhosted.org/packages/32/f1/d21bc1d0589eb9e230a6f35f2650e452a0f85915c109cf8284747fea3232/moleculekit-1.9.2.tar.gz from build tracker '/tmp/pip-build-tracker-3t8rbhs_' 2024-07-11T15:22:46,461 Created temporary directory: /tmp/pip-unpack-xcdh9ux4 2024-07-11T15:22:46,462 Created temporary directory: /tmp/pip-unpack-5d7k_rcz 2024-07-11T15:22:46,469 Building wheels for collected packages: moleculekit 2024-07-11T15:22:46,473 Created temporary directory: /tmp/pip-wheel-_qjgocv3 2024-07-11T15:22:46,474 Destination directory: /tmp/pip-wheel-_qjgocv3 2024-07-11T15:22:46,476 Building wheel for moleculekit (pyproject.toml): started 2024-07-11T15:22:46,477 Running command Building wheel for moleculekit (pyproject.toml) 2024-07-11T15:22:48,783 running bdist_wheel 2024-07-11T15:22:48,799 running build 2024-07-11T15:22:48,799 running build_py 2024-07-11T15:22:48,806 creating build 2024-07-11T15:22:48,807 creating build/lib.linux-armv7l-cpython-39 2024-07-11T15:22:48,808 creating build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,809 copying moleculekit/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,811 copying moleculekit/vmdviewer.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,813 copying moleculekit/rcsb.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,815 copying moleculekit/rdkitintegration.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,817 copying moleculekit/distance.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,818 copying moleculekit/align.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,820 copying moleculekit/viewer.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,822 copying moleculekit/home.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,824 copying moleculekit/_version.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,825 copying moleculekit/pymolgraphics.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,827 copying moleculekit/opm.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,829 copying moleculekit/config.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,830 copying moleculekit/version.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,832 copying moleculekit/bondguesser.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,834 copying moleculekit/readers.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,839 copying moleculekit/writers.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,842 copying moleculekit/molecule.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,846 copying moleculekit/util.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,848 copying moleculekit/vmdgraphics.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,850 copying moleculekit/periodictable.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,853 copying moleculekit/dihedral.py -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:48,855 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats 2024-07-11T15:22:48,855 copying moleculekit/fileformats/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats 2024-07-11T15:22:48,857 copying moleculekit/fileformats/netcdf.py -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats 2024-07-11T15:22:48,860 copying moleculekit/fileformats/utils.py -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats 2024-07-11T15:22:48,863 creating build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,864 copying moleculekit/projections/metrictmscore.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,866 copying moleculekit/projections/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,868 copying moleculekit/projections/metricdihedral.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,871 copying moleculekit/projections/metricrmsd.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,873 copying moleculekit/projections/projection.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,874 copying moleculekit/projections/metriccoordinate.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,876 copying moleculekit/projections/metricsecondarystructure.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,879 copying moleculekit/projections/metricsphericalcoordinate.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,881 copying moleculekit/projections/metricplumed2.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,883 copying moleculekit/projections/metricdistance.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,886 copying moleculekit/projections/metricshell.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,888 copying moleculekit/projections/metricsasa.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,890 copying moleculekit/projections/util.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,893 copying moleculekit/projections/metricgyration.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,894 copying moleculekit/projections/metricfluctuation.py -> build/lib.linux-armv7l-cpython-39/moleculekit/projections 2024-07-11T15:22:48,897 creating build/lib.linux-armv7l-cpython-39/moleculekit/interactions 2024-07-11T15:22:48,898 copying moleculekit/interactions/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions 2024-07-11T15:22:48,900 copying moleculekit/interactions/interactions.py -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions 2024-07-11T15:22:48,903 creating build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,904 copying moleculekit/smallmol/smallmolcdp.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,906 copying moleculekit/smallmol/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,908 copying moleculekit/smallmol/test_smallmol.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,910 copying moleculekit/smallmol/test_smallmollib.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,912 copying moleculekit/smallmol/smallmollib.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,914 copying moleculekit/smallmol/smallmol.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,917 copying moleculekit/smallmol/util.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol 2024-07-11T15:22:48,920 creating build/lib.linux-armv7l-cpython-39/moleculekit/pdbx 2024-07-11T15:22:48,921 copying moleculekit/pdbx/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx 2024-07-11T15:22:48,924 creating build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,924 copying moleculekit/tools/hhblitsprofile.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,926 copying moleculekit/tools/moleculechecks.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,928 copying moleculekit/tools/voxeldescriptors.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,931 copying moleculekit/tools/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,933 copying moleculekit/tools/sequencestructuralalignment.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,935 copying moleculekit/tools/modelling.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,937 copying moleculekit/tools/docking.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,939 copying moleculekit/tools/graphalignment.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,941 copying moleculekit/tools/preparation.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,944 copying moleculekit/tools/atomtyper.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,946 copying moleculekit/tools/detect.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,949 copying moleculekit/tools/crystalpacking.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,951 copying moleculekit/tools/preparation_customres.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,954 copying moleculekit/tools/autosegment.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools 2024-07-11T15:22:48,956 creating build/lib.linux-armv7l-cpython-39/moleculekit/ply 2024-07-11T15:22:48,957 copying moleculekit/ply/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/ply 2024-07-11T15:22:48,959 copying moleculekit/ply/yacc.py -> build/lib.linux-armv7l-cpython-39/moleculekit/ply 2024-07-11T15:22:48,963 copying moleculekit/ply/lex.py -> build/lib.linux-armv7l-cpython-39/moleculekit/ply 2024-07-11T15:22:48,966 creating build/lib.linux-armv7l-cpython-39/moleculekit/atomselect 2024-07-11T15:22:48,967 copying moleculekit/atomselect/languageparser.py -> build/lib.linux-armv7l-cpython-39/moleculekit/atomselect 2024-07-11T15:22:48,969 copying moleculekit/atomselect/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/atomselect 2024-07-11T15:22:48,971 copying moleculekit/atomselect/analyze.py -> build/lib.linux-armv7l-cpython-39/moleculekit/atomselect 2024-07-11T15:22:48,973 copying moleculekit/atomselect/atomselect.py -> build/lib.linux-armv7l-cpython-39/moleculekit/atomselect 2024-07-11T15:22:48,976 creating build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools 2024-07-11T15:22:48,977 copying moleculekit/smallmol/tools/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools 2024-07-11T15:22:48,978 copying moleculekit/smallmol/tools/test_tools.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools 2024-07-11T15:22:48,980 copying moleculekit/smallmol/tools/clustering.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools 2024-07-11T15:22:48,983 copying moleculekit/smallmol/tools/restrainedembed.py -> build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools 2024-07-11T15:22:48,985 creating build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader 2024-07-11T15:22:48,986 copying moleculekit/pdbx/reader/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader 2024-07-11T15:22:48,987 copying moleculekit/pdbx/reader/PdbxReader.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader 2024-07-11T15:22:48,990 copying moleculekit/pdbx/reader/PdbxContainers.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader 2024-07-11T15:22:48,993 copying moleculekit/pdbx/reader/PdbxParser.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader 2024-07-11T15:22:48,995 copying moleculekit/pdbx/reader/BinaryCifReader.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader 2024-07-11T15:22:48,998 creating build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/writer 2024-07-11T15:22:48,999 copying moleculekit/pdbx/writer/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/writer 2024-07-11T15:22:49,000 copying moleculekit/pdbx/writer/PdbxWriter.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/writer 2024-07-11T15:22:49,003 creating build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests 2024-07-11T15:22:49,004 copying moleculekit/pdbx/tests/PdbxReadWriteTests.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests 2024-07-11T15:22:49,006 copying moleculekit/pdbx/tests/PdbxWriterTests.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests 2024-07-11T15:22:49,008 copying moleculekit/pdbx/tests/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests 2024-07-11T15:22:49,009 copying moleculekit/pdbx/tests/PdbxReaderTests.py -> build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests 2024-07-11T15:22:49,011 creating build/lib.linux-armv7l-cpython-39/moleculekit/tools/obabel_tools 2024-07-11T15:22:49,012 copying moleculekit/tools/obabel_tools/__init__.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools/obabel_tools 2024-07-11T15:22:49,014 copying moleculekit/tools/obabel_tools/obabel_cli.py -> build/lib.linux-armv7l-cpython-39/moleculekit/tools/obabel_tools 2024-07-11T15:22:49,015 running egg_info 2024-07-11T15:22:49,021 writing moleculekit.egg-info/PKG-INFO 2024-07-11T15:22:49,024 writing dependency_links to moleculekit.egg-info/dependency_links.txt 2024-07-11T15:22:49,026 writing requirements to moleculekit.egg-info/requires.txt 2024-07-11T15:22:49,027 writing top-level names to moleculekit.egg-info/top_level.txt 2024-07-11T15:22:49,045 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,045 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,046 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,047 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,048 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,049 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,050 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,051 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,052 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,053 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,053 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,053 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,053 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,053 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,055 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,055 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,055 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,055 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,055 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,056 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,056 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,056 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,056 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,056 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,057 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,057 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,057 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,058 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,058 dependency /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-07-11T15:22:49,064 reading manifest file 'moleculekit.egg-info/SOURCES.txt' 2024-07-11T15:22:49,074 reading manifest template 'MANIFEST.in' 2024-07-11T15:22:49,323 no previously-included directories found matching 'moleculekit/test-data' 2024-07-11T15:22:49,324 no previously-included directories found matching 'moleculekit/tests' 2024-07-11T15:22:49,325 no previously-included directories found matching 'package' 2024-07-11T15:22:49,325 adding license file 'LICENSE' 2024-07-11T15:22:49,344 writing manifest file 'moleculekit.egg-info/SOURCES.txt' 2024-07-11T15:22:49,355 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.atomselect_utils' is absent from the `packages` configuration. 2024-07-11T15:22:49,356 !! 2024-07-11T15:22:49,356 ******************************************************************************** 2024-07-11T15:22:49,356 ############################ 2024-07-11T15:22:49,356 # Package would be ignored # 2024-07-11T15:22:49,356 ############################ 2024-07-11T15:22:49,356 Python recognizes 'moleculekit.atomselect_utils' as an importable package[^1], 2024-07-11T15:22:49,356 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,357 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,357 package, please make sure that 'moleculekit.atomselect_utils' is explicitly added 2024-07-11T15:22:49,357 to the `packages` configuration field. 2024-07-11T15:22:49,357 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,357 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,357 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,358 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,358 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,358 If you don't want 'moleculekit.atomselect_utils' to be distributed and are 2024-07-11T15:22:49,358 already explicitly excluding 'moleculekit.atomselect_utils' via 2024-07-11T15:22:49,358 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,358 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,359 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,359 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,359 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,359 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,359 even if it does not contain any `.py` files. 2024-07-11T15:22:49,360 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,360 directory, all directories are treated like packages. 2024-07-11T15:22:49,360 ******************************************************************************** 2024-07-11T15:22:49,360 !! 2024-07-11T15:22:49,360 check.warn(importable) 2024-07-11T15:22:49,360 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.bondguesser_utils' is absent from the `packages` configuration. 2024-07-11T15:22:49,361 !! 2024-07-11T15:22:49,361 ******************************************************************************** 2024-07-11T15:22:49,361 ############################ 2024-07-11T15:22:49,361 # Package would be ignored # 2024-07-11T15:22:49,361 ############################ 2024-07-11T15:22:49,361 Python recognizes 'moleculekit.bondguesser_utils' as an importable package[^1], 2024-07-11T15:22:49,361 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,362 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,362 package, please make sure that 'moleculekit.bondguesser_utils' is explicitly added 2024-07-11T15:22:49,362 to the `packages` configuration field. 2024-07-11T15:22:49,362 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,362 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,362 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,363 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,363 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,363 If you don't want 'moleculekit.bondguesser_utils' to be distributed and are 2024-07-11T15:22:49,363 already explicitly excluding 'moleculekit.bondguesser_utils' via 2024-07-11T15:22:49,363 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,363 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,363 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,364 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,364 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,364 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,364 even if it does not contain any `.py` files. 2024-07-11T15:22:49,364 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,365 directory, all directories are treated like packages. 2024-07-11T15:22:49,365 ******************************************************************************** 2024-07-11T15:22:49,365 !! 2024-07-11T15:22:49,365 check.warn(importable) 2024-07-11T15:22:49,365 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.cython_utils' is absent from the `packages` configuration. 2024-07-11T15:22:49,365 !! 2024-07-11T15:22:49,365 ******************************************************************************** 2024-07-11T15:22:49,366 ############################ 2024-07-11T15:22:49,366 # Package would be ignored # 2024-07-11T15:22:49,366 ############################ 2024-07-11T15:22:49,366 Python recognizes 'moleculekit.cython_utils' as an importable package[^1], 2024-07-11T15:22:49,366 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,366 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,366 package, please make sure that 'moleculekit.cython_utils' is explicitly added 2024-07-11T15:22:49,366 to the `packages` configuration field. 2024-07-11T15:22:49,367 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,367 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,367 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,367 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,367 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,367 If you don't want 'moleculekit.cython_utils' to be distributed and are 2024-07-11T15:22:49,368 already explicitly excluding 'moleculekit.cython_utils' via 2024-07-11T15:22:49,368 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,368 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,368 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,368 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,368 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,369 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,369 even if it does not contain any `.py` files. 2024-07-11T15:22:49,369 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,369 directory, all directories are treated like packages. 2024-07-11T15:22:49,369 ******************************************************************************** 2024-07-11T15:22:49,369 !! 2024-07-11T15:22:49,369 check.warn(importable) 2024-07-11T15:22:49,369 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.distance_utils' is absent from the `packages` configuration. 2024-07-11T15:22:49,370 !! 2024-07-11T15:22:49,370 ******************************************************************************** 2024-07-11T15:22:49,370 ############################ 2024-07-11T15:22:49,370 # Package would be ignored # 2024-07-11T15:22:49,370 ############################ 2024-07-11T15:22:49,370 Python recognizes 'moleculekit.distance_utils' as an importable package[^1], 2024-07-11T15:22:49,370 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,371 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,371 package, please make sure that 'moleculekit.distance_utils' is explicitly added 2024-07-11T15:22:49,371 to the `packages` configuration field. 2024-07-11T15:22:49,371 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,371 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,371 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,371 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,372 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,372 If you don't want 'moleculekit.distance_utils' to be distributed and are 2024-07-11T15:22:49,372 already explicitly excluding 'moleculekit.distance_utils' via 2024-07-11T15:22:49,372 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,372 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,372 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,372 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,373 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,373 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,373 even if it does not contain any `.py` files. 2024-07-11T15:22:49,373 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,373 directory, all directories are treated like packages. 2024-07-11T15:22:49,373 ******************************************************************************** 2024-07-11T15:22:49,374 !! 2024-07-11T15:22:49,374 check.warn(importable) 2024-07-11T15:22:49,374 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.binpos' is absent from the `packages` configuration. 2024-07-11T15:22:49,374 !! 2024-07-11T15:22:49,374 ******************************************************************************** 2024-07-11T15:22:49,374 ############################ 2024-07-11T15:22:49,374 # Package would be ignored # 2024-07-11T15:22:49,374 ############################ 2024-07-11T15:22:49,375 Python recognizes 'moleculekit.fileformats.binpos' as an importable package[^1], 2024-07-11T15:22:49,375 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,375 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,375 package, please make sure that 'moleculekit.fileformats.binpos' is explicitly added 2024-07-11T15:22:49,375 to the `packages` configuration field. 2024-07-11T15:22:49,375 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,375 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,375 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,376 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,376 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,376 If you don't want 'moleculekit.fileformats.binpos' to be distributed and are 2024-07-11T15:22:49,376 already explicitly excluding 'moleculekit.fileformats.binpos' via 2024-07-11T15:22:49,376 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,376 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,376 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,377 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,377 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,377 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,377 even if it does not contain any `.py` files. 2024-07-11T15:22:49,378 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,378 directory, all directories are treated like packages. 2024-07-11T15:22:49,378 ******************************************************************************** 2024-07-11T15:22:49,378 !! 2024-07-11T15:22:49,378 check.warn(importable) 2024-07-11T15:22:49,378 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.binpos.include' is absent from the `packages` configuration. 2024-07-11T15:22:49,378 !! 2024-07-11T15:22:49,379 ******************************************************************************** 2024-07-11T15:22:49,379 ############################ 2024-07-11T15:22:49,379 # Package would be ignored # 2024-07-11T15:22:49,379 ############################ 2024-07-11T15:22:49,379 Python recognizes 'moleculekit.fileformats.binpos.include' as an importable package[^1], 2024-07-11T15:22:49,379 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,379 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,379 package, please make sure that 'moleculekit.fileformats.binpos.include' is explicitly added 2024-07-11T15:22:49,379 to the `packages` configuration field. 2024-07-11T15:22:49,380 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,380 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,380 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,380 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,380 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,381 If you don't want 'moleculekit.fileformats.binpos.include' to be distributed and are 2024-07-11T15:22:49,381 already explicitly excluding 'moleculekit.fileformats.binpos.include' via 2024-07-11T15:22:49,381 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,381 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,381 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,381 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,382 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,382 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,382 even if it does not contain any `.py` files. 2024-07-11T15:22:49,382 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,382 directory, all directories are treated like packages. 2024-07-11T15:22:49,382 ******************************************************************************** 2024-07-11T15:22:49,383 !! 2024-07-11T15:22:49,383 check.warn(importable) 2024-07-11T15:22:49,383 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.binpos.src' is absent from the `packages` configuration. 2024-07-11T15:22:49,383 !! 2024-07-11T15:22:49,383 ******************************************************************************** 2024-07-11T15:22:49,383 ############################ 2024-07-11T15:22:49,383 # Package would be ignored # 2024-07-11T15:22:49,383 ############################ 2024-07-11T15:22:49,383 Python recognizes 'moleculekit.fileformats.binpos.src' as an importable package[^1], 2024-07-11T15:22:49,384 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,384 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,384 package, please make sure that 'moleculekit.fileformats.binpos.src' is explicitly added 2024-07-11T15:22:49,384 to the `packages` configuration field. 2024-07-11T15:22:49,384 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,384 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,384 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,385 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,385 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,385 If you don't want 'moleculekit.fileformats.binpos.src' to be distributed and are 2024-07-11T15:22:49,385 already explicitly excluding 'moleculekit.fileformats.binpos.src' via 2024-07-11T15:22:49,385 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,385 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,386 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,386 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,386 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,386 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,386 even if it does not contain any `.py` files. 2024-07-11T15:22:49,386 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,387 directory, all directories are treated like packages. 2024-07-11T15:22:49,387 ******************************************************************************** 2024-07-11T15:22:49,387 !! 2024-07-11T15:22:49,387 check.warn(importable) 2024-07-11T15:22:49,387 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.dcd' is absent from the `packages` configuration. 2024-07-11T15:22:49,387 !! 2024-07-11T15:22:49,387 ******************************************************************************** 2024-07-11T15:22:49,388 ############################ 2024-07-11T15:22:49,388 # Package would be ignored # 2024-07-11T15:22:49,388 ############################ 2024-07-11T15:22:49,388 Python recognizes 'moleculekit.fileformats.dcd' as an importable package[^1], 2024-07-11T15:22:49,388 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,388 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,388 package, please make sure that 'moleculekit.fileformats.dcd' is explicitly added 2024-07-11T15:22:49,388 to the `packages` configuration field. 2024-07-11T15:22:49,389 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,389 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,389 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,389 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,389 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,389 If you don't want 'moleculekit.fileformats.dcd' to be distributed and are 2024-07-11T15:22:49,390 already explicitly excluding 'moleculekit.fileformats.dcd' via 2024-07-11T15:22:49,390 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,390 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,390 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,390 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,390 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,391 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,391 even if it does not contain any `.py` files. 2024-07-11T15:22:49,391 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,391 directory, all directories are treated like packages. 2024-07-11T15:22:49,391 ******************************************************************************** 2024-07-11T15:22:49,391 !! 2024-07-11T15:22:49,391 check.warn(importable) 2024-07-11T15:22:49,392 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.dcd.include' is absent from the `packages` configuration. 2024-07-11T15:22:49,392 !! 2024-07-11T15:22:49,392 ******************************************************************************** 2024-07-11T15:22:49,392 ############################ 2024-07-11T15:22:49,392 # Package would be ignored # 2024-07-11T15:22:49,392 ############################ 2024-07-11T15:22:49,392 Python recognizes 'moleculekit.fileformats.dcd.include' as an importable package[^1], 2024-07-11T15:22:49,392 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,393 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,393 package, please make sure that 'moleculekit.fileformats.dcd.include' is explicitly added 2024-07-11T15:22:49,393 to the `packages` configuration field. 2024-07-11T15:22:49,393 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,393 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,393 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,394 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,394 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,394 If you don't want 'moleculekit.fileformats.dcd.include' to be distributed and are 2024-07-11T15:22:49,394 already explicitly excluding 'moleculekit.fileformats.dcd.include' via 2024-07-11T15:22:49,394 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,394 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,395 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,395 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,395 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,395 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,395 even if it does not contain any `.py` files. 2024-07-11T15:22:49,396 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,396 directory, all directories are treated like packages. 2024-07-11T15:22:49,396 ******************************************************************************** 2024-07-11T15:22:49,396 !! 2024-07-11T15:22:49,396 check.warn(importable) 2024-07-11T15:22:49,396 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.dcd.src' is absent from the `packages` configuration. 2024-07-11T15:22:49,396 !! 2024-07-11T15:22:49,397 ******************************************************************************** 2024-07-11T15:22:49,397 ############################ 2024-07-11T15:22:49,397 # Package would be ignored # 2024-07-11T15:22:49,397 ############################ 2024-07-11T15:22:49,397 Python recognizes 'moleculekit.fileformats.dcd.src' as an importable package[^1], 2024-07-11T15:22:49,397 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,397 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,398 package, please make sure that 'moleculekit.fileformats.dcd.src' is explicitly added 2024-07-11T15:22:49,398 to the `packages` configuration field. 2024-07-11T15:22:49,398 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,398 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,398 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,398 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,399 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,399 If you don't want 'moleculekit.fileformats.dcd.src' to be distributed and are 2024-07-11T15:22:49,399 already explicitly excluding 'moleculekit.fileformats.dcd.src' via 2024-07-11T15:22:49,399 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,399 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,399 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,399 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,400 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,400 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,400 even if it does not contain any `.py` files. 2024-07-11T15:22:49,400 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,400 directory, all directories are treated like packages. 2024-07-11T15:22:49,400 ******************************************************************************** 2024-07-11T15:22:49,401 !! 2024-07-11T15:22:49,401 check.warn(importable) 2024-07-11T15:22:49,401 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.xtc' is absent from the `packages` configuration. 2024-07-11T15:22:49,401 !! 2024-07-11T15:22:49,401 ******************************************************************************** 2024-07-11T15:22:49,401 ############################ 2024-07-11T15:22:49,401 # Package would be ignored # 2024-07-11T15:22:49,401 ############################ 2024-07-11T15:22:49,402 Python recognizes 'moleculekit.fileformats.xtc' as an importable package[^1], 2024-07-11T15:22:49,402 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,402 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,402 package, please make sure that 'moleculekit.fileformats.xtc' is explicitly added 2024-07-11T15:22:49,402 to the `packages` configuration field. 2024-07-11T15:22:49,402 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,402 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,403 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,403 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,403 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,403 If you don't want 'moleculekit.fileformats.xtc' to be distributed and are 2024-07-11T15:22:49,403 already explicitly excluding 'moleculekit.fileformats.xtc' via 2024-07-11T15:22:49,403 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,404 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,404 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,404 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,404 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,404 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,404 even if it does not contain any `.py` files. 2024-07-11T15:22:49,405 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,405 directory, all directories are treated like packages. 2024-07-11T15:22:49,405 ******************************************************************************** 2024-07-11T15:22:49,405 !! 2024-07-11T15:22:49,405 check.warn(importable) 2024-07-11T15:22:49,405 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.xtc.include' is absent from the `packages` configuration. 2024-07-11T15:22:49,405 !! 2024-07-11T15:22:49,406 ******************************************************************************** 2024-07-11T15:22:49,406 ############################ 2024-07-11T15:22:49,406 # Package would be ignored # 2024-07-11T15:22:49,406 ############################ 2024-07-11T15:22:49,406 Python recognizes 'moleculekit.fileformats.xtc.include' as an importable package[^1], 2024-07-11T15:22:49,406 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,406 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,406 package, please make sure that 'moleculekit.fileformats.xtc.include' is explicitly added 2024-07-11T15:22:49,407 to the `packages` configuration field. 2024-07-11T15:22:49,407 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,407 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,407 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,407 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,407 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,408 If you don't want 'moleculekit.fileformats.xtc.include' to be distributed and are 2024-07-11T15:22:49,408 already explicitly excluding 'moleculekit.fileformats.xtc.include' via 2024-07-11T15:22:49,408 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,408 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,408 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,408 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,408 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,409 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,409 even if it does not contain any `.py` files. 2024-07-11T15:22:49,409 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,409 directory, all directories are treated like packages. 2024-07-11T15:22:49,409 ******************************************************************************** 2024-07-11T15:22:49,409 !! 2024-07-11T15:22:49,409 check.warn(importable) 2024-07-11T15:22:49,410 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.fileformats.xtc.src' is absent from the `packages` configuration. 2024-07-11T15:22:49,410 !! 2024-07-11T15:22:49,410 ******************************************************************************** 2024-07-11T15:22:49,410 ############################ 2024-07-11T15:22:49,410 # Package would be ignored # 2024-07-11T15:22:49,410 ############################ 2024-07-11T15:22:49,410 Python recognizes 'moleculekit.fileformats.xtc.src' as an importable package[^1], 2024-07-11T15:22:49,410 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,411 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,411 package, please make sure that 'moleculekit.fileformats.xtc.src' is explicitly added 2024-07-11T15:22:49,411 to the `packages` configuration field. 2024-07-11T15:22:49,411 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,411 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,412 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,412 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,412 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,412 If you don't want 'moleculekit.fileformats.xtc.src' to be distributed and are 2024-07-11T15:22:49,412 already explicitly excluding 'moleculekit.fileformats.xtc.src' via 2024-07-11T15:22:49,413 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,413 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,413 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,413 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,413 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,413 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,414 even if it does not contain any `.py` files. 2024-07-11T15:22:49,414 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,414 directory, all directories are treated like packages. 2024-07-11T15:22:49,414 ******************************************************************************** 2024-07-11T15:22:49,414 !! 2024-07-11T15:22:49,415 check.warn(importable) 2024-07-11T15:22:49,415 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.interactions.cationpi' is absent from the `packages` configuration. 2024-07-11T15:22:49,415 !! 2024-07-11T15:22:49,415 ******************************************************************************** 2024-07-11T15:22:49,415 ############################ 2024-07-11T15:22:49,415 # Package would be ignored # 2024-07-11T15:22:49,415 ############################ 2024-07-11T15:22:49,416 Python recognizes 'moleculekit.interactions.cationpi' as an importable package[^1], 2024-07-11T15:22:49,416 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,416 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,416 package, please make sure that 'moleculekit.interactions.cationpi' is explicitly added 2024-07-11T15:22:49,416 to the `packages` configuration field. 2024-07-11T15:22:49,417 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,417 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,417 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,417 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,418 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,418 If you don't want 'moleculekit.interactions.cationpi' to be distributed and are 2024-07-11T15:22:49,418 already explicitly excluding 'moleculekit.interactions.cationpi' via 2024-07-11T15:22:49,418 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,419 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,419 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,419 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,419 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,420 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,420 even if it does not contain any `.py` files. 2024-07-11T15:22:49,420 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,420 directory, all directories are treated like packages. 2024-07-11T15:22:49,420 ******************************************************************************** 2024-07-11T15:22:49,421 !! 2024-07-11T15:22:49,421 check.warn(importable) 2024-07-11T15:22:49,421 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.interactions.hbonds' is absent from the `packages` configuration. 2024-07-11T15:22:49,422 !! 2024-07-11T15:22:49,422 ******************************************************************************** 2024-07-11T15:22:49,422 ############################ 2024-07-11T15:22:49,422 # Package would be ignored # 2024-07-11T15:22:49,423 ############################ 2024-07-11T15:22:49,423 Python recognizes 'moleculekit.interactions.hbonds' as an importable package[^1], 2024-07-11T15:22:49,423 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,424 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,424 package, please make sure that 'moleculekit.interactions.hbonds' is explicitly added 2024-07-11T15:22:49,424 to the `packages` configuration field. 2024-07-11T15:22:49,424 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,424 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,424 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,425 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,425 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,425 If you don't want 'moleculekit.interactions.hbonds' to be distributed and are 2024-07-11T15:22:49,426 already explicitly excluding 'moleculekit.interactions.hbonds' via 2024-07-11T15:22:49,426 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,426 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,426 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,427 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,427 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,427 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,427 even if it does not contain any `.py` files. 2024-07-11T15:22:49,427 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,427 directory, all directories are treated like packages. 2024-07-11T15:22:49,428 ******************************************************************************** 2024-07-11T15:22:49,428 !! 2024-07-11T15:22:49,428 check.warn(importable) 2024-07-11T15:22:49,428 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.interactions.pipi' is absent from the `packages` configuration. 2024-07-11T15:22:49,428 !! 2024-07-11T15:22:49,428 ******************************************************************************** 2024-07-11T15:22:49,428 ############################ 2024-07-11T15:22:49,429 # Package would be ignored # 2024-07-11T15:22:49,429 ############################ 2024-07-11T15:22:49,429 Python recognizes 'moleculekit.interactions.pipi' as an importable package[^1], 2024-07-11T15:22:49,429 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,429 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,429 package, please make sure that 'moleculekit.interactions.pipi' is explicitly added 2024-07-11T15:22:49,429 to the `packages` configuration field. 2024-07-11T15:22:49,430 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,430 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,430 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,430 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,430 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,430 If you don't want 'moleculekit.interactions.pipi' to be distributed and are 2024-07-11T15:22:49,431 already explicitly excluding 'moleculekit.interactions.pipi' via 2024-07-11T15:22:49,431 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,431 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,431 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,431 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,431 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,432 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,433 even if it does not contain any `.py` files. 2024-07-11T15:22:49,434 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,434 directory, all directories are treated like packages. 2024-07-11T15:22:49,434 ******************************************************************************** 2024-07-11T15:22:49,435 !! 2024-07-11T15:22:49,435 check.warn(importable) 2024-07-11T15:22:49,435 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.interactions.sigmahole' is absent from the `packages` configuration. 2024-07-11T15:22:49,435 !! 2024-07-11T15:22:49,436 ******************************************************************************** 2024-07-11T15:22:49,436 ############################ 2024-07-11T15:22:49,437 # Package would be ignored # 2024-07-11T15:22:49,437 ############################ 2024-07-11T15:22:49,437 Python recognizes 'moleculekit.interactions.sigmahole' as an importable package[^1], 2024-07-11T15:22:49,437 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,438 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,438 package, please make sure that 'moleculekit.interactions.sigmahole' is explicitly added 2024-07-11T15:22:49,438 to the `packages` configuration field. 2024-07-11T15:22:49,439 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,439 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,440 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,440 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,441 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,441 If you don't want 'moleculekit.interactions.sigmahole' to be distributed and are 2024-07-11T15:22:49,441 already explicitly excluding 'moleculekit.interactions.sigmahole' via 2024-07-11T15:22:49,442 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,442 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,442 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,443 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,443 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,444 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,444 even if it does not contain any `.py` files. 2024-07-11T15:22:49,445 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,445 directory, all directories are treated like packages. 2024-07-11T15:22:49,445 ******************************************************************************** 2024-07-11T15:22:49,446 !! 2024-07-11T15:22:49,446 check.warn(importable) 2024-07-11T15:22:49,446 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.occupancy_utils' is absent from the `packages` configuration. 2024-07-11T15:22:49,447 !! 2024-07-11T15:22:49,447 ******************************************************************************** 2024-07-11T15:22:49,447 ############################ 2024-07-11T15:22:49,448 # Package would be ignored # 2024-07-11T15:22:49,448 ############################ 2024-07-11T15:22:49,448 Python recognizes 'moleculekit.occupancy_utils' as an importable package[^1], 2024-07-11T15:22:49,448 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,449 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,449 package, please make sure that 'moleculekit.occupancy_utils' is explicitly added 2024-07-11T15:22:49,450 to the `packages` configuration field. 2024-07-11T15:22:49,450 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,450 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,451 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,451 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,452 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,452 If you don't want 'moleculekit.occupancy_utils' to be distributed and are 2024-07-11T15:22:49,452 already explicitly excluding 'moleculekit.occupancy_utils' via 2024-07-11T15:22:49,453 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,453 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,453 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,453 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,454 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,454 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,454 even if it does not contain any `.py` files. 2024-07-11T15:22:49,455 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,455 directory, all directories are treated like packages. 2024-07-11T15:22:49,455 ******************************************************************************** 2024-07-11T15:22:49,456 !! 2024-07-11T15:22:49,456 check.warn(importable) 2024-07-11T15:22:49,456 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.share' is absent from the `packages` configuration. 2024-07-11T15:22:49,456 !! 2024-07-11T15:22:49,456 ******************************************************************************** 2024-07-11T15:22:49,456 ############################ 2024-07-11T15:22:49,457 # Package would be ignored # 2024-07-11T15:22:49,457 ############################ 2024-07-11T15:22:49,457 Python recognizes 'moleculekit.share' as an importable package[^1], 2024-07-11T15:22:49,457 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,457 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,457 package, please make sure that 'moleculekit.share' is explicitly added 2024-07-11T15:22:49,457 to the `packages` configuration field. 2024-07-11T15:22:49,458 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,458 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,458 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,459 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,459 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,459 If you don't want 'moleculekit.share' to be distributed and are 2024-07-11T15:22:49,459 already explicitly excluding 'moleculekit.share' via 2024-07-11T15:22:49,459 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,460 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,460 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,460 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,461 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,461 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,461 even if it does not contain any `.py` files. 2024-07-11T15:22:49,462 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,462 directory, all directories are treated like packages. 2024-07-11T15:22:49,462 ******************************************************************************** 2024-07-11T15:22:49,462 !! 2024-07-11T15:22:49,462 check.warn(importable) 2024-07-11T15:22:49,462 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.share.atomselect' is absent from the `packages` configuration. 2024-07-11T15:22:49,462 !! 2024-07-11T15:22:49,463 ******************************************************************************** 2024-07-11T15:22:49,463 ############################ 2024-07-11T15:22:49,463 # Package would be ignored # 2024-07-11T15:22:49,463 ############################ 2024-07-11T15:22:49,464 Python recognizes 'moleculekit.share.atomselect' as an importable package[^1], 2024-07-11T15:22:49,464 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,464 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,464 package, please make sure that 'moleculekit.share.atomselect' is explicitly added 2024-07-11T15:22:49,464 to the `packages` configuration field. 2024-07-11T15:22:49,465 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,465 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,465 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,466 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,466 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,466 If you don't want 'moleculekit.share.atomselect' to be distributed and are 2024-07-11T15:22:49,466 already explicitly excluding 'moleculekit.share.atomselect' via 2024-07-11T15:22:49,467 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,467 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,467 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,467 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,468 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,468 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,468 even if it does not contain any `.py` files. 2024-07-11T15:22:49,468 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,469 directory, all directories are treated like packages. 2024-07-11T15:22:49,469 ******************************************************************************** 2024-07-11T15:22:49,469 !! 2024-07-11T15:22:49,469 check.warn(importable) 2024-07-11T15:22:49,469 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.share.pdb2pqr.residues' is absent from the `packages` configuration. 2024-07-11T15:22:49,469 !! 2024-07-11T15:22:49,469 ******************************************************************************** 2024-07-11T15:22:49,470 ############################ 2024-07-11T15:22:49,470 # Package would be ignored # 2024-07-11T15:22:49,470 ############################ 2024-07-11T15:22:49,470 Python recognizes 'moleculekit.share.pdb2pqr.residues' as an importable package[^1], 2024-07-11T15:22:49,470 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,470 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,470 package, please make sure that 'moleculekit.share.pdb2pqr.residues' is explicitly added 2024-07-11T15:22:49,471 to the `packages` configuration field. 2024-07-11T15:22:49,471 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,471 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,471 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,471 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,471 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,472 If you don't want 'moleculekit.share.pdb2pqr.residues' to be distributed and are 2024-07-11T15:22:49,472 already explicitly excluding 'moleculekit.share.pdb2pqr.residues' via 2024-07-11T15:22:49,472 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,472 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,472 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,472 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,473 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,473 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,473 even if it does not contain any `.py` files. 2024-07-11T15:22:49,473 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,473 directory, all directories are treated like packages. 2024-07-11T15:22:49,473 ******************************************************************************** 2024-07-11T15:22:49,474 !! 2024-07-11T15:22:49,474 check.warn(importable) 2024-07-11T15:22:49,474 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.tmalign' is absent from the `packages` configuration. 2024-07-11T15:22:49,474 !! 2024-07-11T15:22:49,474 ******************************************************************************** 2024-07-11T15:22:49,474 ############################ 2024-07-11T15:22:49,474 # Package would be ignored # 2024-07-11T15:22:49,475 ############################ 2024-07-11T15:22:49,475 Python recognizes 'moleculekit.tmalign' as an importable package[^1], 2024-07-11T15:22:49,475 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,475 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,475 package, please make sure that 'moleculekit.tmalign' is explicitly added 2024-07-11T15:22:49,475 to the `packages` configuration field. 2024-07-11T15:22:49,475 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,476 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,476 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,476 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,476 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,476 If you don't want 'moleculekit.tmalign' to be distributed and are 2024-07-11T15:22:49,476 already explicitly excluding 'moleculekit.tmalign' via 2024-07-11T15:22:49,477 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,477 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,477 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,477 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,477 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,478 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,478 even if it does not contain any `.py` files. 2024-07-11T15:22:49,478 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,478 directory, all directories are treated like packages. 2024-07-11T15:22:49,478 ******************************************************************************** 2024-07-11T15:22:49,478 !! 2024-07-11T15:22:49,478 check.warn(importable) 2024-07-11T15:22:49,479 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.tmalign.include' is absent from the `packages` configuration. 2024-07-11T15:22:49,479 !! 2024-07-11T15:22:49,479 ******************************************************************************** 2024-07-11T15:22:49,479 ############################ 2024-07-11T15:22:49,480 # Package would be ignored # 2024-07-11T15:22:49,480 ############################ 2024-07-11T15:22:49,480 Python recognizes 'moleculekit.tmalign.include' as an importable package[^1], 2024-07-11T15:22:49,480 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,480 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,480 package, please make sure that 'moleculekit.tmalign.include' is explicitly added 2024-07-11T15:22:49,481 to the `packages` configuration field. 2024-07-11T15:22:49,481 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,481 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,481 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,482 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,482 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,482 If you don't want 'moleculekit.tmalign.include' to be distributed and are 2024-07-11T15:22:49,482 already explicitly excluding 'moleculekit.tmalign.include' via 2024-07-11T15:22:49,483 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,483 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,483 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,483 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,483 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,484 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,484 even if it does not contain any `.py` files. 2024-07-11T15:22:49,484 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,484 directory, all directories are treated like packages. 2024-07-11T15:22:49,484 ******************************************************************************** 2024-07-11T15:22:49,484 !! 2024-07-11T15:22:49,484 check.warn(importable) 2024-07-11T15:22:49,484 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.tmalign.src' is absent from the `packages` configuration. 2024-07-11T15:22:49,485 !! 2024-07-11T15:22:49,485 ******************************************************************************** 2024-07-11T15:22:49,485 ############################ 2024-07-11T15:22:49,485 # Package would be ignored # 2024-07-11T15:22:49,485 ############################ 2024-07-11T15:22:49,485 Python recognizes 'moleculekit.tmalign.src' as an importable package[^1], 2024-07-11T15:22:49,485 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,486 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,486 package, please make sure that 'moleculekit.tmalign.src' is explicitly added 2024-07-11T15:22:49,486 to the `packages` configuration field. 2024-07-11T15:22:49,486 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,486 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,486 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,487 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,487 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,487 If you don't want 'moleculekit.tmalign.src' to be distributed and are 2024-07-11T15:22:49,487 already explicitly excluding 'moleculekit.tmalign.src' via 2024-07-11T15:22:49,487 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,487 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,487 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,488 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,488 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,489 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,489 even if it does not contain any `.py` files. 2024-07-11T15:22:49,490 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,490 directory, all directories are treated like packages. 2024-07-11T15:22:49,490 ******************************************************************************** 2024-07-11T15:22:49,491 !! 2024-07-11T15:22:49,491 check.warn(importable) 2024-07-11T15:22:49,491 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/setuptools/command/build_py.py:215: _Warning: Package 'moleculekit.wrapping' is absent from the `packages` configuration. 2024-07-11T15:22:49,491 !! 2024-07-11T15:22:49,492 ******************************************************************************** 2024-07-11T15:22:49,492 ############################ 2024-07-11T15:22:49,492 # Package would be ignored # 2024-07-11T15:22:49,493 ############################ 2024-07-11T15:22:49,493 Python recognizes 'moleculekit.wrapping' as an importable package[^1], 2024-07-11T15:22:49,493 but it is absent from setuptools' `packages` configuration. 2024-07-11T15:22:49,494 This leads to an ambiguous overall configuration. If you want to distribute this 2024-07-11T15:22:49,494 package, please make sure that 'moleculekit.wrapping' is explicitly added 2024-07-11T15:22:49,494 to the `packages` configuration field. 2024-07-11T15:22:49,495 Alternatively, you can also rely on setuptools' discovery methods 2024-07-11T15:22:49,495 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-07-11T15:22:49,495 instead of `find_packages(...)`/`find:`). 2024-07-11T15:22:49,496 You can read more about "package discovery" on setuptools documentation page: 2024-07-11T15:22:49,497 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-07-11T15:22:49,497 If you don't want 'moleculekit.wrapping' to be distributed and are 2024-07-11T15:22:49,497 already explicitly excluding 'moleculekit.wrapping' via 2024-07-11T15:22:49,497 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-07-11T15:22:49,498 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-07-11T15:22:49,498 combination with a more fine grained `package-data` configuration. 2024-07-11T15:22:49,499 You can read more about "package data files" on setuptools documentation page: 2024-07-11T15:22:49,499 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-07-11T15:22:49,500 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-07-11T15:22:49,500 even if it does not contain any `.py` files. 2024-07-11T15:22:49,501 On the other hand, currently there is no concept of package data 2024-07-11T15:22:49,501 directory, all directories are treated like packages. 2024-07-11T15:22:49,501 ******************************************************************************** 2024-07-11T15:22:49,502 !! 2024-07-11T15:22:49,502 check.warn(importable) 2024-07-11T15:22:49,502 copying moleculekit/logging.ini -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:49,503 copying moleculekit/vmd_wrapper -> build/lib.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:49,503 creating build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils 2024-07-11T15:22:49,503 copying moleculekit/atomselect_utils/atomselect_utils.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils 2024-07-11T15:22:49,504 copying moleculekit/atomselect_utils/atomselect_utils.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils 2024-07-11T15:22:49,504 creating build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils 2024-07-11T15:22:49,504 copying moleculekit/bondguesser_utils/bondguesser_utils.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils 2024-07-11T15:22:49,515 copying moleculekit/bondguesser_utils/bondguesser_utils.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils 2024-07-11T15:22:49,517 creating build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils 2024-07-11T15:22:49,518 copying moleculekit/cython_utils/cython_utils.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils 2024-07-11T15:22:49,543 copying moleculekit/cython_utils/cython_utils.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils 2024-07-11T15:22:49,545 creating build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils 2024-07-11T15:22:49,546 copying moleculekit/distance_utils/distance_utils.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils 2024-07-11T15:22:49,594 copying moleculekit/distance_utils/distance_utils.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils 2024-07-11T15:22:49,597 creating build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils 2024-07-11T15:22:49,597 copying moleculekit/occupancy_utils/occupancy_utils.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils 2024-07-11T15:22:49,628 copying moleculekit/occupancy_utils/occupancy_utils.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils 2024-07-11T15:22:49,630 creating build/lib.linux-armv7l-cpython-39/moleculekit/share 2024-07-11T15:22:49,631 copying moleculekit/share/ALA.cif -> build/lib.linux-armv7l-cpython-39/moleculekit/share 2024-07-11T15:22:49,634 copying moleculekit/share/backbone.cif -> build/lib.linux-armv7l-cpython-39/moleculekit/share 2024-07-11T15:22:49,636 copying moleculekit/share/opm_sequences.json -> build/lib.linux-armv7l-cpython-39/moleculekit/share 2024-07-11T15:22:49,903 creating build/lib.linux-armv7l-cpython-39/moleculekit/share/atomselect 2024-07-11T15:22:49,904 copying moleculekit/share/atomselect/atomselect.json -> build/lib.linux-armv7l-cpython-39/moleculekit/share/atomselect 2024-07-11T15:22:49,906 creating build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr 2024-07-11T15:22:49,906 creating build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,907 copying moleculekit/share/pdb2pqr/residues/.gitkeep -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,909 copying moleculekit/share/pdb2pqr/residues/004.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,911 copying moleculekit/share/pdb2pqr/residues/004.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,913 copying moleculekit/share/pdb2pqr/residues/03Y.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,915 copying moleculekit/share/pdb2pqr/residues/03Y.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,917 copying moleculekit/share/pdb2pqr/residues/0A1.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,918 copying moleculekit/share/pdb2pqr/residues/0A1.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,920 copying moleculekit/share/pdb2pqr/residues/0AF.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,923 copying moleculekit/share/pdb2pqr/residues/0AF.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,925 copying moleculekit/share/pdb2pqr/residues/0BN.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,927 copying moleculekit/share/pdb2pqr/residues/0BN.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,929 copying moleculekit/share/pdb2pqr/residues/1MH.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,931 copying moleculekit/share/pdb2pqr/residues/1MH.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,933 copying moleculekit/share/pdb2pqr/residues/2AS.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,935 copying moleculekit/share/pdb2pqr/residues/2AS.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,937 copying moleculekit/share/pdb2pqr/residues/2GX.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,939 copying moleculekit/share/pdb2pqr/residues/2GX.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,941 copying moleculekit/share/pdb2pqr/residues/2ML.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,943 copying moleculekit/share/pdb2pqr/residues/2ML.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,945 copying moleculekit/share/pdb2pqr/residues/2MR.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,947 copying moleculekit/share/pdb2pqr/residues/2MR.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,950 copying moleculekit/share/pdb2pqr/residues/4IN.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,952 copying moleculekit/share/pdb2pqr/residues/4IN.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,954 copying moleculekit/share/pdb2pqr/residues/4PH.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,956 copying moleculekit/share/pdb2pqr/residues/4PH.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,958 copying moleculekit/share/pdb2pqr/residues/4PQ.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,960 copying moleculekit/share/pdb2pqr/residues/4PQ.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,962 copying moleculekit/share/pdb2pqr/residues/5JP.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,964 copying moleculekit/share/pdb2pqr/residues/5JP.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,966 copying moleculekit/share/pdb2pqr/residues/AA4.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,968 copying moleculekit/share/pdb2pqr/residues/AA4.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,969 copying moleculekit/share/pdb2pqr/residues/ABA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,971 copying moleculekit/share/pdb2pqr/residues/ABA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,973 copying moleculekit/share/pdb2pqr/residues/AHP.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,975 copying moleculekit/share/pdb2pqr/residues/AHP.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,977 copying moleculekit/share/pdb2pqr/residues/ALC.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,979 copying moleculekit/share/pdb2pqr/residues/ALC.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,981 copying moleculekit/share/pdb2pqr/residues/ALN.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,983 copying moleculekit/share/pdb2pqr/residues/ALN.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,985 copying moleculekit/share/pdb2pqr/residues/ALY.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,986 copying moleculekit/share/pdb2pqr/residues/ALY.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,988 copying moleculekit/share/pdb2pqr/residues/APD.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,990 copying moleculekit/share/pdb2pqr/residues/APD.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,992 copying moleculekit/share/pdb2pqr/residues/BB8.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,994 copying moleculekit/share/pdb2pqr/residues/BB8.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,996 copying moleculekit/share/pdb2pqr/residues/BCS.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,997 copying moleculekit/share/pdb2pqr/residues/BCS.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:49,999 copying moleculekit/share/pdb2pqr/residues/BTK.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,001 copying moleculekit/share/pdb2pqr/residues/BTK.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,004 copying moleculekit/share/pdb2pqr/residues/CCS.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,005 copying moleculekit/share/pdb2pqr/residues/CCS.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,007 copying moleculekit/share/pdb2pqr/residues/CGU.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,009 copying moleculekit/share/pdb2pqr/residues/CGU.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,011 copying moleculekit/share/pdb2pqr/residues/CSA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,013 copying moleculekit/share/pdb2pqr/residues/CSA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,015 copying moleculekit/share/pdb2pqr/residues/CSO.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,017 copying moleculekit/share/pdb2pqr/residues/CSO.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,019 copying moleculekit/share/pdb2pqr/residues/CSP.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,021 copying moleculekit/share/pdb2pqr/residues/CSP.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,023 copying moleculekit/share/pdb2pqr/residues/CSS.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,025 copying moleculekit/share/pdb2pqr/residues/CSS.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,027 copying moleculekit/share/pdb2pqr/residues/D4P.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,029 copying moleculekit/share/pdb2pqr/residues/D4P.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,030 copying moleculekit/share/pdb2pqr/residues/DA2.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,032 copying moleculekit/share/pdb2pqr/residues/DA2.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,035 copying moleculekit/share/pdb2pqr/residues/DAB.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,037 copying moleculekit/share/pdb2pqr/residues/DAB.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,038 copying moleculekit/share/pdb2pqr/residues/DAH.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,040 copying moleculekit/share/pdb2pqr/residues/DAH.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,042 copying moleculekit/share/pdb2pqr/residues/DPP.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,044 copying moleculekit/share/pdb2pqr/residues/DPP.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,046 copying moleculekit/share/pdb2pqr/residues/ESC.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,048 copying moleculekit/share/pdb2pqr/residues/ESC.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,050 copying moleculekit/share/pdb2pqr/residues/FGL.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,052 copying moleculekit/share/pdb2pqr/residues/FGL.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,054 copying moleculekit/share/pdb2pqr/residues/GHG.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,056 copying moleculekit/share/pdb2pqr/residues/GHG.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,058 copying moleculekit/share/pdb2pqr/residues/GME.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,060 copying moleculekit/share/pdb2pqr/residues/GME.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,062 copying moleculekit/share/pdb2pqr/residues/GNC.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,064 copying moleculekit/share/pdb2pqr/residues/GNC.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,066 copying moleculekit/share/pdb2pqr/residues/HHK.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,068 copying moleculekit/share/pdb2pqr/residues/HHK.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,070 copying moleculekit/share/pdb2pqr/residues/HLU.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,072 copying moleculekit/share/pdb2pqr/residues/HLU.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,074 copying moleculekit/share/pdb2pqr/residues/HLX.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,076 copying moleculekit/share/pdb2pqr/residues/HLX.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,078 copying moleculekit/share/pdb2pqr/residues/HOX.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,080 copying moleculekit/share/pdb2pqr/residues/HOX.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,082 copying moleculekit/share/pdb2pqr/residues/HPE.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,084 copying moleculekit/share/pdb2pqr/residues/HPE.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,086 copying moleculekit/share/pdb2pqr/residues/HQA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,088 copying moleculekit/share/pdb2pqr/residues/HQA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,090 copying moleculekit/share/pdb2pqr/residues/HTR.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,092 copying moleculekit/share/pdb2pqr/residues/HTR.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,094 copying moleculekit/share/pdb2pqr/residues/HYP.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,096 copying moleculekit/share/pdb2pqr/residues/HYP.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,098 copying moleculekit/share/pdb2pqr/residues/I2M.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,099 copying moleculekit/share/pdb2pqr/residues/I2M.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,102 copying moleculekit/share/pdb2pqr/residues/IGL.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,103 copying moleculekit/share/pdb2pqr/residues/IGL.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,105 copying moleculekit/share/pdb2pqr/residues/IIL.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,107 copying moleculekit/share/pdb2pqr/residues/IIL.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,109 copying moleculekit/share/pdb2pqr/residues/IML.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,111 copying moleculekit/share/pdb2pqr/residues/IML.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,113 copying moleculekit/share/pdb2pqr/residues/KYN.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,115 copying moleculekit/share/pdb2pqr/residues/KYN.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,117 copying moleculekit/share/pdb2pqr/residues/LME.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,119 copying moleculekit/share/pdb2pqr/residues/LME.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,121 copying moleculekit/share/pdb2pqr/residues/LMQ.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,123 copying moleculekit/share/pdb2pqr/residues/LMQ.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,125 copying moleculekit/share/pdb2pqr/residues/LYZ.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,127 copying moleculekit/share/pdb2pqr/residues/LYZ.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,129 copying moleculekit/share/pdb2pqr/residues/M3L.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,131 copying moleculekit/share/pdb2pqr/residues/M3L.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,134 copying moleculekit/share/pdb2pqr/residues/ME0.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,136 copying moleculekit/share/pdb2pqr/residues/ME0.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,137 copying moleculekit/share/pdb2pqr/residues/MEA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,139 copying moleculekit/share/pdb2pqr/residues/MEA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,141 copying moleculekit/share/pdb2pqr/residues/MEN.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,143 copying moleculekit/share/pdb2pqr/residues/MEN.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,145 copying moleculekit/share/pdb2pqr/residues/MEQ.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,147 copying moleculekit/share/pdb2pqr/residues/MEQ.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,149 copying moleculekit/share/pdb2pqr/residues/MLE.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,151 copying moleculekit/share/pdb2pqr/residues/MLE.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,153 copying moleculekit/share/pdb2pqr/residues/MLY.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,155 copying moleculekit/share/pdb2pqr/residues/MLY.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,157 copying moleculekit/share/pdb2pqr/residues/MLZ.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,159 copying moleculekit/share/pdb2pqr/residues/MLZ.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,161 copying moleculekit/share/pdb2pqr/residues/MME.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,163 copying moleculekit/share/pdb2pqr/residues/MME.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,165 copying moleculekit/share/pdb2pqr/residues/MMO.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,167 copying moleculekit/share/pdb2pqr/residues/MMO.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,169 copying moleculekit/share/pdb2pqr/residues/MVA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,171 copying moleculekit/share/pdb2pqr/residues/MVA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,173 copying moleculekit/share/pdb2pqr/residues/NAL.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,175 copying moleculekit/share/pdb2pqr/residues/NAL.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,177 copying moleculekit/share/pdb2pqr/residues/NCY.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,179 copying moleculekit/share/pdb2pqr/residues/NCY.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,182 copying moleculekit/share/pdb2pqr/residues/NLE.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,184 copying moleculekit/share/pdb2pqr/residues/NLE.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,186 copying moleculekit/share/pdb2pqr/residues/NVA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,188 copying moleculekit/share/pdb2pqr/residues/NVA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,190 copying moleculekit/share/pdb2pqr/residues/NZC.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,192 copying moleculekit/share/pdb2pqr/residues/NZC.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,194 copying moleculekit/share/pdb2pqr/residues/OCY.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,196 copying moleculekit/share/pdb2pqr/residues/OCY.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,198 copying moleculekit/share/pdb2pqr/residues/OMX.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,200 copying moleculekit/share/pdb2pqr/residues/OMX.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,201 copying moleculekit/share/pdb2pqr/residues/ONL.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,203 copying moleculekit/share/pdb2pqr/residues/ONL.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,205 copying moleculekit/share/pdb2pqr/residues/ORM.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,207 copying moleculekit/share/pdb2pqr/residues/ORM.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,209 copying moleculekit/share/pdb2pqr/residues/P1L.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,211 copying moleculekit/share/pdb2pqr/residues/P1L.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,213 copying moleculekit/share/pdb2pqr/residues/PCA.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,215 copying moleculekit/share/pdb2pqr/residues/PCA.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,217 copying moleculekit/share/pdb2pqr/residues/PRK.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,219 copying moleculekit/share/pdb2pqr/residues/PRK.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,221 copying moleculekit/share/pdb2pqr/residues/PTR.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,223 copying moleculekit/share/pdb2pqr/residues/PTR.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,225 copying moleculekit/share/pdb2pqr/residues/SEP.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,227 copying moleculekit/share/pdb2pqr/residues/SEP.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,229 copying moleculekit/share/pdb2pqr/residues/TPO.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,231 copying moleculekit/share/pdb2pqr/residues/TPO.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,233 copying moleculekit/share/pdb2pqr/residues/TRO.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,235 copying moleculekit/share/pdb2pqr/residues/TRO.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,237 copying moleculekit/share/pdb2pqr/residues/TY2.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,239 copying moleculekit/share/pdb2pqr/residues/TY2.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,241 copying moleculekit/share/pdb2pqr/residues/TYQ.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,243 copying moleculekit/share/pdb2pqr/residues/TYQ.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,245 copying moleculekit/share/pdb2pqr/residues/YCM.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,247 copying moleculekit/share/pdb2pqr/residues/YCM.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,249 copying moleculekit/share/pdb2pqr/residues/YNM.dat -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,251 copying moleculekit/share/pdb2pqr/residues/YNM.xml -> build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues 2024-07-11T15:22:50,253 creating build/lib.linux-armv7l-cpython-39/moleculekit/tmalign 2024-07-11T15:22:50,254 copying moleculekit/tmalign/tmalign_util.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/tmalign 2024-07-11T15:22:50,273 copying moleculekit/tmalign/tmalign_util.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/tmalign 2024-07-11T15:22:50,275 copying moleculekit/tmalign/tmalignlib.pxd -> build/lib.linux-armv7l-cpython-39/moleculekit/tmalign 2024-07-11T15:22:50,278 creating build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/include 2024-07-11T15:22:50,278 copying moleculekit/tmalign/include/TMAlign.h -> build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/include 2024-07-11T15:22:50,281 creating build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/src 2024-07-11T15:22:50,282 copying moleculekit/tmalign/src/TMAlign.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/src 2024-07-11T15:22:50,287 creating build/lib.linux-armv7l-cpython-39/moleculekit/wrapping 2024-07-11T15:22:50,289 copying moleculekit/wrapping/wrapping.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/wrapping 2024-07-11T15:22:50,310 copying moleculekit/wrapping/wrapping.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/wrapping 2024-07-11T15:22:50,313 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos 2024-07-11T15:22:50,314 copying moleculekit/fileformats/binpos/binpos.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos 2024-07-11T15:22:50,328 copying moleculekit/fileformats/binpos/binpos.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos 2024-07-11T15:22:50,330 copying moleculekit/fileformats/binpos/binposlib.pxd -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos 2024-07-11T15:22:50,333 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include 2024-07-11T15:22:50,334 copying moleculekit/fileformats/binpos/include/binposplugin.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include 2024-07-11T15:22:50,336 copying moleculekit/fileformats/binpos/include/largefiles.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include 2024-07-11T15:22:50,338 copying moleculekit/fileformats/binpos/include/molfile_plugin.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include 2024-07-11T15:22:50,341 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/src 2024-07-11T15:22:50,343 copying moleculekit/fileformats/binpos/src/binposplugin.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/src 2024-07-11T15:22:50,346 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd 2024-07-11T15:22:50,347 copying moleculekit/fileformats/dcd/dcd.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd 2024-07-11T15:22:50,374 copying moleculekit/fileformats/dcd/dcd.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd 2024-07-11T15:22:50,376 copying moleculekit/fileformats/dcd/dcdlib.pxd -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd 2024-07-11T15:22:50,378 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include 2024-07-11T15:22:50,379 copying moleculekit/fileformats/dcd/include/dcdplugin.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include 2024-07-11T15:22:50,381 copying moleculekit/fileformats/dcd/include/endianswap.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include 2024-07-11T15:22:50,383 copying moleculekit/fileformats/dcd/include/fastio.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include 2024-07-11T15:22:50,386 copying moleculekit/fileformats/dcd/include/largefiles.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include 2024-07-11T15:22:50,388 copying moleculekit/fileformats/dcd/include/molfile_plugin.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include 2024-07-11T15:22:50,391 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/src 2024-07-11T15:22:50,392 copying moleculekit/fileformats/dcd/src/dcdplugin.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/src 2024-07-11T15:22:50,395 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,396 copying moleculekit/fileformats/xtc/trr.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,421 copying moleculekit/fileformats/xtc/trr.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,424 copying moleculekit/fileformats/xtc/trrlib.pxd -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,426 copying moleculekit/fileformats/xtc/xdrlib.pxd -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,428 copying moleculekit/fileformats/xtc/xtc.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,455 copying moleculekit/fileformats/xtc/xtc.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,457 copying moleculekit/fileformats/xtc/xtclib.pxd -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:22:50,459 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,460 copying moleculekit/fileformats/xtc/include/trr_header.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,462 copying moleculekit/fileformats/xtc/include/xdr_seek.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,464 copying moleculekit/fileformats/xtc/include/xdrfile.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,467 copying moleculekit/fileformats/xtc/include/xdrfile_trr.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,469 copying moleculekit/fileformats/xtc/include/xdrfile_xtc.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,471 copying moleculekit/fileformats/xtc/include/xtc.h -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include 2024-07-11T15:22:50,473 creating build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:22:50,474 copying moleculekit/fileformats/xtc/src/xdr_seek.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:22:50,476 copying moleculekit/fileformats/xtc/src/xdrfile.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:22:50,480 copying moleculekit/fileformats/xtc/src/xdrfile_trr.c -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:22:50,483 copying moleculekit/fileformats/xtc/src/xdrfile_xtc.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:22:50,485 copying moleculekit/fileformats/xtc/src/xtc.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:22:50,487 creating build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi 2024-07-11T15:22:50,488 copying moleculekit/interactions/cationpi/cationpi.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi 2024-07-11T15:22:50,517 copying moleculekit/interactions/cationpi/cationpi.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi 2024-07-11T15:22:50,519 creating build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds 2024-07-11T15:22:50,520 copying moleculekit/interactions/hbonds/hbonds.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds 2024-07-11T15:22:50,546 copying moleculekit/interactions/hbonds/hbonds.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds 2024-07-11T15:22:50,549 creating build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi 2024-07-11T15:22:50,550 copying moleculekit/interactions/pipi/pipi.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi 2024-07-11T15:22:50,579 copying moleculekit/interactions/pipi/pipi.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi 2024-07-11T15:22:50,582 creating build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole 2024-07-11T15:22:50,583 copying moleculekit/interactions/sigmahole/sigmahole.cpp -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole 2024-07-11T15:22:50,618 copying moleculekit/interactions/sigmahole/sigmahole.pyx -> build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole 2024-07-11T15:22:50,634 UPDATING build/lib.linux-armv7l-cpython-39/moleculekit/_version.py 2024-07-11T15:22:50,634 set build/lib.linux-armv7l-cpython-39/moleculekit/_version.py to '1.9.2' 2024-07-11T15:22:50,634 running build_ext 2024-07-11T15:22:50,646 building 'moleculekit.interactions.hbonds' extension 2024-07-11T15:22:50,647 creating build/temp.linux-armv7l-cpython-39 2024-07-11T15:22:50,647 creating build/temp.linux-armv7l-cpython-39/moleculekit 2024-07-11T15:22:50,648 creating build/temp.linux-armv7l-cpython-39/moleculekit/interactions 2024-07-11T15:22:50,649 creating build/temp.linux-armv7l-cpython-39/moleculekit/interactions/hbonds 2024-07-11T15:22:50,650 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/interactions/hbonds/hbonds.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/interactions/hbonds/hbonds.o -O3 2024-07-11T15:22:50,912 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:22:50,912 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:22:50,912 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:22:50,912 from moleculekit/interactions/hbonds/hbonds.cpp:1265: 2024-07-11T15:22:50,912 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:22:50,912 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:22:50,913 | ^~~~~~~ 2024-07-11T15:22:51,358 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:22:51,358 from moleculekit/interactions/hbonds/hbonds.cpp:1269: 2024-07-11T15:22:51,358 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:22:51,358 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:22:51,358 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:22:51,359 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:23:14,034 moleculekit/interactions/hbonds/hbonds.cpp: In function ‘PyObject* __pyx_pw_11moleculekit_12interactions_6hbonds_1calculate(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’: 2024-07-11T15:23:14,035 moleculekit/interactions/hbonds/hbonds.cpp:21469:52: warning: ‘__pyx_v_d_idx_h’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:23:14,035 21469 | (__pyx_v_results[__pyx_v_f]).push_back(__pyx_v_d_idx_h); 2024-07-11T15:23:14,035 | ^~~~~~~~~~~~~~~ 2024-07-11T15:23:14,035 moleculekit/interactions/hbonds/hbonds.cpp:20486:57: note: ‘__pyx_v_d_idx_h’ was declared here 2024-07-11T15:23:14,036 20486 | __pyx_t_11moleculekit_12interactions_6hbonds_UINT32_t __pyx_v_d_idx_h; 2024-07-11T15:23:14,036 | ^~~~~~~~~~~~~~~ 2024-07-11T15:23:17,185 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/interactions/hbonds/hbonds.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:23:17,499 building 'moleculekit.interactions.pipi' extension 2024-07-11T15:23:17,500 creating build/temp.linux-armv7l-cpython-39/moleculekit/interactions/pipi 2024-07-11T15:23:17,501 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/interactions/pipi/pipi.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/interactions/pipi/pipi.o -O3 2024-07-11T15:23:17,742 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:23:17,742 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:23:17,743 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:23:17,743 from moleculekit/interactions/pipi/pipi.cpp:1265: 2024-07-11T15:23:17,743 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:23:17,743 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:23:17,743 | ^~~~~~~ 2024-07-11T15:23:18,212 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:23:18,212 from moleculekit/interactions/pipi/pipi.cpp:1269: 2024-07-11T15:23:18,213 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:23:18,213 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:23:18,213 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:23:18,213 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:23:45,906 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/interactions/pipi/pipi.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:23:46,229 building 'moleculekit.interactions.cationpi' extension 2024-07-11T15:23:46,230 creating build/temp.linux-armv7l-cpython-39/moleculekit/interactions/cationpi 2024-07-11T15:23:46,231 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/interactions/cationpi/cationpi.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/interactions/cationpi/cationpi.o -O3 2024-07-11T15:23:46,485 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:23:46,485 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:23:46,485 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:23:46,485 from moleculekit/interactions/cationpi/cationpi.cpp:1265: 2024-07-11T15:23:46,485 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:23:46,486 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:23:46,486 | ^~~~~~~ 2024-07-11T15:23:46,964 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:23:46,965 from moleculekit/interactions/cationpi/cationpi.cpp:1269: 2024-07-11T15:23:46,965 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:23:46,965 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:23:46,965 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:23:46,965 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:24:14,485 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/interactions/cationpi/cationpi.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:24:14,803 building 'moleculekit.interactions.sigmahole' extension 2024-07-11T15:24:14,804 creating build/temp.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole 2024-07-11T15:24:14,804 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/interactions/sigmahole/sigmahole.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole/sigmahole.o -O3 2024-07-11T15:24:15,041 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:24:15,042 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:24:15,042 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:24:15,042 from moleculekit/interactions/sigmahole/sigmahole.cpp:1265: 2024-07-11T15:24:15,042 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:24:15,042 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:24:15,042 | ^~~~~~~ 2024-07-11T15:24:15,479 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:24:15,479 from moleculekit/interactions/sigmahole/sigmahole.cpp:1269: 2024-07-11T15:24:15,479 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:24:15,479 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:24:15,479 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:24:15,479 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:24:42,578 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole/sigmahole.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:24:42,902 building 'moleculekit.wrapping' extension 2024-07-11T15:24:42,903 creating build/temp.linux-armv7l-cpython-39/moleculekit/wrapping 2024-07-11T15:24:42,903 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/wrapping/wrapping.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/wrapping/wrapping.o -O3 2024-07-11T15:24:43,134 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:24:43,134 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:24:43,135 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:24:43,135 from moleculekit/wrapping/wrapping.cpp:1265: 2024-07-11T15:24:43,135 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:24:43,135 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:24:43,135 | ^~~~~~~ 2024-07-11T15:24:43,568 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:24:43,568 from moleculekit/wrapping/wrapping.cpp:1269: 2024-07-11T15:24:43,568 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:24:43,569 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:24:43,569 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:24:43,569 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:08,972 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/wrapping/wrapping.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/wrapping.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:25:09,190 building 'moleculekit.bondguesser_utils' extension 2024-07-11T15:25:09,190 creating build/temp.linux-armv7l-cpython-39/moleculekit/bondguesser_utils 2024-07-11T15:25:09,191 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/bondguesser_utils/bondguesser_utils.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/bondguesser_utils/bondguesser_utils.o -O3 2024-07-11T15:25:09,424 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:25:09,424 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:25:09,424 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:25:09,425 from moleculekit/bondguesser_utils/bondguesser_utils.cpp:1265: 2024-07-11T15:25:09,425 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:25:09,425 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:25:09,425 | ^~~~~~~ 2024-07-11T15:25:09,852 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:25:09,852 from moleculekit/bondguesser_utils/bondguesser_utils.cpp:1269: 2024-07-11T15:25:09,852 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:25:09,853 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:25:09,853 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:25:09,853 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,964 moleculekit/bondguesser_utils/bondguesser_utils.cpp: In function ‘PyObject* __pyx_pf_11moleculekit_17bondguesser_utils_make_grid_neighborlist_nonperiodic(PyObject*, __Pyx_memviewslice, __pyx_t_11moleculekit_17bondguesser_utils_UINT32_t, __pyx_t_11moleculekit_17bondguesser_utils_UINT32_t, __pyx_t_11moleculekit_17bondguesser_utils_UINT32_t)’: 2024-07-11T15:25:10,965 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20255:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} [-Wsign-compare] 2024-07-11T15:25:10,965 20255 | for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { 2024-07-11T15:25:10,965 | ~~~~~~~~~~^~~~~~~~~~~ 2024-07-11T15:25:10,965 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20267:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} [-Wsign-compare] 2024-07-11T15:25:10,965 20267 | for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { 2024-07-11T15:25:10,965 | ~~~~~~~~~~^~~~~~~~~~~ 2024-07-11T15:25:10,966 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20279:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} [-Wsign-compare] 2024-07-11T15:25:10,966 20279 | for (__pyx_t_9 = 0; __pyx_t_9 < __pyx_t_8; __pyx_t_9+=1) { 2024-07-11T15:25:10,966 | ~~~~~~~~~~^~~~~~~~~~~ 2024-07-11T15:25:10,966 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20318:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,966 20318 | __pyx_t_12 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-07-11T15:25:10,966 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,966 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20357:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,967 20357 | __pyx_t_12 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-07-11T15:25:10,967 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,967 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20396:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,967 20396 | __pyx_t_12 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,967 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,967 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20435:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,968 20435 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-07-11T15:25:10,968 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,968 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20441:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,968 20441 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-07-11T15:25:10,968 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,968 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20482:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,968 20482 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-07-11T15:25:10,968 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,969 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20488:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,969 20488 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,969 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,969 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20529:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,969 20529 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-07-11T15:25:10,969 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,969 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20535:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,970 20535 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,970 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,970 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20576:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,970 20576 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-07-11T15:25:10,970 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,970 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20629:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,970 20629 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,971 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,971 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20676:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,971 20676 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,971 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,971 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20717:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,971 20717 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-07-11T15:25:10,972 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,972 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20723:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,972 20723 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-07-11T15:25:10,972 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,972 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20729:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,972 20729 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,972 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,973 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20776:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,973 20776 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-07-11T15:25:10,973 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,973 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20782:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,973 20782 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,973 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,973 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20823:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,973 20823 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-07-11T15:25:10,974 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,974 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20835:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,974 20835 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,974 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,974 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20888:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-07-11T15:25:10,974 20888 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-07-11T15:25:10,974 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,993 moleculekit/bondguesser_utils/bondguesser_utils.cpp: In function ‘PyObject* __pyx_pf_11moleculekit_17bondguesser_utils_2grid_bonds(PyObject*, __Pyx_memviewslice, __Pyx_memviewslice, __Pyx_memviewslice, float, int, __Pyx_memviewslice, __Pyx_memviewslice)’: 2024-07-11T15:25:10,993 moleculekit/bondguesser_utils/bondguesser_utils.cpp:21510:37: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:25:10,994 21510 | __pyx_t_6 = (__pyx_v_boxneigh == __pyx_v_n_boxes); 2024-07-11T15:25:10,994 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:10,994 moleculekit/bondguesser_utils/bondguesser_utils.cpp:21547:37: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:25:10,994 21547 | __pyx_t_6 = (__pyx_v_boxneigh == __pyx_v_boxidx); 2024-07-11T15:25:10,994 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2024-07-11T15:25:34,088 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/bondguesser_utils/bondguesser_utils.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:25:34,391 building 'moleculekit.atomselect_utils' extension 2024-07-11T15:25:34,392 creating build/temp.linux-armv7l-cpython-39/moleculekit/atomselect_utils 2024-07-11T15:25:34,393 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/atomselect_utils/atomselect_utils.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/atomselect_utils/atomselect_utils.o -O3 2024-07-11T15:25:34,636 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:25:34,636 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:25:34,637 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:25:34,637 from moleculekit/atomselect_utils/atomselect_utils.cpp:1282: 2024-07-11T15:25:34,637 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:25:34,637 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:25:34,637 | ^~~~~~~ 2024-07-11T15:25:35,116 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:25:35,116 from moleculekit/atomselect_utils/atomselect_utils.cpp:1286: 2024-07-11T15:25:35,116 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:25:35,116 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:25:35,116 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:25:35,117 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:25:36,377 moleculekit/atomselect_utils/atomselect_utils.cpp: In function ‘bool __pyx_f_11moleculekit_16atomselect_utils__find_connected_subfragment(int, int, const char*, const char*, const char*, __Pyx_memviewslice, __Pyx_memviewslice, __Pyx_memviewslice, std::vector >&, __Pyx_memviewslice, std::vector >&, std::vector >&, std::vector >&)’: 2024-07-11T15:25:36,378 moleculekit/atomselect_utils/atomselect_utils.cpp:23709:161: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_16atomselect_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:25:36,378 23709 | __pyx_t_3 = ((*((__pyx_t_11moleculekit_16atomselect_utils_UINT32_t *) ( /* dim=0 */ (__pyx_v_uq_resid.data + __pyx_t_2 * __pyx_v_uq_resid.strides[0]) ))) != __pyx_v_resnum); 2024-07-11T15:25:36,378 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2024-07-11T15:25:36,384 moleculekit/atomselect_utils/atomselect_utils.cpp: In function ‘bool __pyx_f_11moleculekit_16atomselect_utils__find_subfragments(int, std::vector >&, std::vector >&, __Pyx_memviewslice, __Pyx_memviewslice, __Pyx_memviewslice, std::vector >&, __Pyx_memviewslice, std::vector >&)’: 2024-07-11T15:25:36,384 moleculekit/atomselect_utils/atomselect_utils.cpp:23961:163: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_16atomselect_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:25:36,384 23961 | __pyx_t_6 = ((*((__pyx_t_11moleculekit_16atomselect_utils_UINT32_t *) ( /* dim=0 */ (__pyx_v_uq_resid.data + __pyx_t_5 * __pyx_v_uq_resid.strides[0]) ))) != __pyx_v_i); 2024-07-11T15:25:36,384 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-07-11T15:25:36,390 moleculekit/atomselect_utils/atomselect_utils.cpp: In function ‘bool __pyx_f_11moleculekit_16atomselect_utils__find_subfragments_topologically(int, std::vector >&, std::vector >&, __Pyx_memviewslice, __Pyx_memviewslice, __Pyx_memviewslice, std::vector >&, __Pyx_memviewslice, std::vector >&)’: 2024-07-11T15:25:36,390 moleculekit/atomselect_utils/atomselect_utils.cpp:24228:163: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_16atomselect_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:25:36,390 24228 | __pyx_t_6 = ((*((__pyx_t_11moleculekit_16atomselect_utils_UINT32_t *) ( /* dim=0 */ (__pyx_v_uq_resid.data + __pyx_t_5 * __pyx_v_uq_resid.strides[0]) ))) != __pyx_v_i); 2024-07-11T15:25:36,390 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-07-11T15:26:06,738 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/atomselect_utils/atomselect_utils.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:26:07,080 building 'moleculekit.distance_utils' extension 2024-07-11T15:26:07,081 creating build/temp.linux-armv7l-cpython-39/moleculekit/distance_utils 2024-07-11T15:26:07,082 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/distance_utils/distance_utils.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/distance_utils/distance_utils.o -O3 2024-07-11T15:26:07,327 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:26:07,327 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:26:07,327 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:26:07,328 from moleculekit/distance_utils/distance_utils.cpp:1265: 2024-07-11T15:26:07,328 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:26:07,328 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:26:07,328 | ^~~~~~~ 2024-07-11T15:26:07,775 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:26:07,775 from moleculekit/distance_utils/distance_utils.cpp:1269: 2024-07-11T15:26:07,775 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:26:07,776 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:26:07,776 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:26:07,776 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:26:08,953 moleculekit/distance_utils/distance_utils.cpp: In function ‘PyObject* __pyx_pf_11moleculekit_14distance_utils_2get_collisions(PyObject*, __Pyx_memviewslice, __Pyx_memviewslice, float)’: 2024-07-11T15:26:08,953 moleculekit/distance_utils/distance_utils.cpp:21813:33: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_14distance_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:26:08,954 21813 | for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { 2024-07-11T15:26:08,954 | ~~~~~~~~~~^~~~~~~~~~~ 2024-07-11T15:26:08,954 moleculekit/distance_utils/distance_utils.cpp:21825:35: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_14distance_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-07-11T15:26:08,954 21825 | for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { 2024-07-11T15:26:08,954 | ~~~~~~~~~~^~~~~~~~~~~ 2024-07-11T15:26:42,039 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/distance_utils/distance_utils.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:26:42,375 building 'moleculekit.occupancy_utils' extension 2024-07-11T15:26:42,375 creating build/temp.linux-armv7l-cpython-39/moleculekit/occupancy_utils 2024-07-11T15:26:42,376 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/occupancy_utils/occupancy_utils.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/occupancy_utils/occupancy_utils.o -O3 2024-07-11T15:26:42,614 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:26:42,614 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:26:42,614 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:26:42,614 from moleculekit/occupancy_utils/occupancy_utils.cpp:1265: 2024-07-11T15:26:42,614 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:26:42,615 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:26:42,615 | ^~~~~~~ 2024-07-11T15:26:43,046 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:26:43,046 from moleculekit/occupancy_utils/occupancy_utils.cpp:1269: 2024-07-11T15:26:43,046 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:26:43,046 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:26:43,047 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:26:43,047 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:05,683 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/occupancy_utils/occupancy_utils.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:27:05,897 building 'moleculekit.cython_utils' extension 2024-07-11T15:27:05,897 creating build/temp.linux-armv7l-cpython-39/moleculekit/cython_utils 2024-07-11T15:27:05,898 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/cython_utils/cython_utils.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/cython_utils/cython_utils.o -O3 2024-07-11T15:27:06,132 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:27:06,132 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:27:06,132 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:27:06,132 from moleculekit/cython_utils/cython_utils.cpp:1265: 2024-07-11T15:27:06,133 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:27:06,133 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:27:06,133 | ^~~~~~~ 2024-07-11T15:27:06,592 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ufuncobject.h:4, 2024-07-11T15:27:06,592 from moleculekit/cython_utils/cython_utils.cpp:1269: 2024-07-11T15:27:06,592 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h: In function ‘npy_longdouble npy_creall(npy_clongdouble)’: 2024-07-11T15:27:06,593 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_math.h:405:13: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing] 2024-07-11T15:27:06,593 405 | return ((longdouble_t *) &z)[0]; 2024-07-11T15:27:06,593 | ~^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:31,593 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/cython_utils/cython_utils.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:27:31,912 building 'moleculekit.xtc' extension 2024-07-11T15:27:31,913 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats 2024-07-11T15:27:31,914 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc 2024-07-11T15:27:31,914 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src 2024-07-11T15:27:31,915 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/fileformats/xtc -Imoleculekit/fileformats/xtc/include/ -Imoleculekit/fileformats/xtc/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/fileformats/xtc/src/xdrfile.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdrfile.o 2024-07-11T15:27:32,157 moleculekit/fileformats/xtc/src/xdrfile.cpp:66:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,157 66 | "OK", 2024-07-11T15:27:32,157 | ^~~~ 2024-07-11T15:27:32,158 moleculekit/fileformats/xtc/src/xdrfile.cpp:67:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,158 67 | "Header", 2024-07-11T15:27:32,158 | ^~~~~~~~ 2024-07-11T15:27:32,158 moleculekit/fileformats/xtc/src/xdrfile.cpp:68:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,158 68 | "String", 2024-07-11T15:27:32,158 | ^~~~~~~~ 2024-07-11T15:27:32,159 moleculekit/fileformats/xtc/src/xdrfile.cpp:69:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,159 69 | "Double", 2024-07-11T15:27:32,159 | ^~~~~~~~ 2024-07-11T15:27:32,159 moleculekit/fileformats/xtc/src/xdrfile.cpp:70:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,159 70 | "Integer", 2024-07-11T15:27:32,159 | ^~~~~~~~~ 2024-07-11T15:27:32,160 moleculekit/fileformats/xtc/src/xdrfile.cpp:71:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,160 71 | "Float", 2024-07-11T15:27:32,160 | ^~~~~~~ 2024-07-11T15:27:32,160 moleculekit/fileformats/xtc/src/xdrfile.cpp:72:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,160 72 | "Unsigned integer", 2024-07-11T15:27:32,160 | ^~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:32,161 moleculekit/fileformats/xtc/src/xdrfile.cpp:73:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,161 73 | "Compressed 3D coordinate", 2024-07-11T15:27:32,161 | ^~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:32,161 moleculekit/fileformats/xtc/src/xdrfile.cpp:74:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,161 74 | "Closing file", 2024-07-11T15:27:32,161 | ^~~~~~~~~~~~~~ 2024-07-11T15:27:32,162 moleculekit/fileformats/xtc/src/xdrfile.cpp:75:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,162 75 | "Magic number", 2024-07-11T15:27:32,162 | ^~~~~~~~~~~~~~ 2024-07-11T15:27:32,162 moleculekit/fileformats/xtc/src/xdrfile.cpp:76:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,162 76 | "Not enough memory", 2024-07-11T15:27:32,162 | ^~~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:32,163 moleculekit/fileformats/xtc/src/xdrfile.cpp:77:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,163 77 | "End of file", 2024-07-11T15:27:32,163 | ^~~~~~~~~~~~~ 2024-07-11T15:27:32,163 moleculekit/fileformats/xtc/src/xdrfile.cpp:78:2: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-07-11T15:27:32,163 78 | "File not found" 2024-07-11T15:27:32,163 | ^~~~~~~~~~~~~~~~ 2024-07-11T15:27:32,171 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int sizeofint(int)’: 2024-07-11T15:27:32,172 moleculekit/fileformats/xtc/src/xdrfile.cpp:459:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,172 459 | while (size >= num && num_of_bits < 32) 2024-07-11T15:27:32,172 | ~~~~~^~~~~~ 2024-07-11T15:27:32,173 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int sizeofints(int, unsigned int*)’: 2024-07-11T15:27:32,173 moleculekit/fileformats/xtc/src/xdrfile.cpp:505:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,173 505 | while (bytes[num_of_bytes] >= num) 2024-07-11T15:27:32,173 | ~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-07-11T15:27:32,176 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘void encodeints(int*, int, int, unsigned int*, unsigned int*)’: 2024-07-11T15:27:32,176 moleculekit/fileformats/xtc/src/xdrfile.cpp:614:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,176 614 | if (num_of_bits >= num_of_bytes * 8) 2024-07-11T15:27:32,177 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:32,177 moleculekit/fileformats/xtc/src/xdrfile.cpp:616:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,177 616 | for (i = 0; i < num_of_bytes; i++) 2024-07-11T15:27:32,177 | ~~^~~~~~~~~~~~~~ 2024-07-11T15:27:32,178 moleculekit/fileformats/xtc/src/xdrfile.cpp:624:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,178 624 | for (i = 0; i < num_of_bytes-1; i++) 2024-07-11T15:27:32,178 | ~~^~~~~~~~~~~~~~~~ 2024-07-11T15:27:32,179 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int decodebits(int*, int)’: 2024-07-11T15:27:32,180 moleculekit/fileformats/xtc/src/xdrfile.cpp:664:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,180 664 | if (lastbits < num_of_bits) 2024-07-11T15:27:32,180 | ~~~~~~~~~^~~~~~~~~~~~~ 2024-07-11T15:27:32,184 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_decompress_coord_float(float*, int*, float*, XDRFILE*)’: 2024-07-11T15:27:32,184 moleculekit/fileformats/xtc/src/xdrfile.cpp:785:10: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,184 785 | if(size3>xfp->buf1size) 2024-07-11T15:27:32,184 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:32,186 moleculekit/fileformats/xtc/src/xdrfile.cpp:842:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,187 842 | maxidx = (LASTIDX= size3 ) { return -1; } 2024-07-11T15:27:32,190 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:32,190 moleculekit/fileformats/xtc/src/xdrfile.cpp:935:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,191 935 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:32,191 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:32,191 moleculekit/fileformats/xtc/src/xdrfile.cpp:938:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,191 938 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:32,191 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:32,192 moleculekit/fileformats/xtc/src/xdrfile.cpp:945:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,192 945 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:32,192 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:32,193 moleculekit/fileformats/xtc/src/xdrfile.cpp:948:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,193 948 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:32,193 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:32,193 moleculekit/fileformats/xtc/src/xdrfile.cpp:951:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,194 951 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:32,194 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:32,195 moleculekit/fileformats/xtc/src/xdrfile.cpp:756:17: warning: variable ‘minidx’ set but not used [-Wunused-but-set-variable] 2024-07-11T15:27:32,195 756 | int smallidx, minidx, maxidx; 2024-07-11T15:27:32,195 | ^~~~~~ 2024-07-11T15:27:32,195 moleculekit/fileformats/xtc/src/xdrfile.cpp:759:25: warning: variable ‘larger’ set but not used [-Wunused-but-set-variable] 2024-07-11T15:27:32,195 759 | int smallnum, smaller, larger, i, is_smaller, run; 2024-07-11T15:27:32,195 | ^~~~~~ 2024-07-11T15:27:32,196 moleculekit/fileformats/xtc/src/xdrfile.cpp:763:6: warning: unused variable ‘errval’ [-Wunused-variable] 2024-07-11T15:27:32,196 763 | int errval=1; 2024-07-11T15:27:32,196 | ^~~~~~ 2024-07-11T15:27:32,198 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_compress_coord_float(float*, int, float, XDRFILE*)’: 2024-07-11T15:27:32,199 moleculekit/fileformats/xtc/src/xdrfile.cpp:1011:10: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,199 1011 | if(size3>xfp->buf1size) 2024-07-11T15:27:32,199 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:32,201 moleculekit/fileformats/xtc/src/xdrfile.cpp:1068:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,201 1068 | countmjh++; if( countmjh> size3) { return -1; } 2024-07-11T15:27:32,202 | ~~~~~~~~^~~~~~~ 2024-07-11T15:27:32,202 moleculekit/fileformats/xtc/src/xdrfile.cpp:1084:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,202 1084 | countmjh++; if( countmjh> size3) { return -1; } 2024-07-11T15:27:32,202 | ~~~~~~~~^~~~~~~ 2024-07-11T15:27:32,203 moleculekit/fileformats/xtc/src/xdrfile.cpp:1098:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,203 1098 | countmjh++; if( countmjh> size3) { return -1; } 2024-07-11T15:27:32,203 | ~~~~~~~~^~~~~~~ 2024-07-11T15:27:32,204 moleculekit/fileformats/xtc/src/xdrfile.cpp:1137:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,205 1137 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) 2024-07-11T15:27:32,205 | ^ 2024-07-11T15:27:32,205 moleculekit/fileformats/xtc/src/xdrfile.cpp:1143:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,205 1143 | maxidx = (LASTIDXxfp->buf1size) 2024-07-11T15:27:32,212 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:32,214 moleculekit/fileformats/xtc/src/xdrfile.cpp:1377:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,214 1377 | maxidx = (LASTIDXxfp->buf1size) { 2024-07-11T15:27:32,220 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:32,223 moleculekit/fileformats/xtc/src/xdrfile.cpp:1628:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:32,224 1628 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) { 2024-07-11T15:27:32,224 | ^ 2024-07-11T15:27:32,224 moleculekit/fileformats/xtc/src/xdrfile.cpp:1633:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:32,224 1633 | maxidx = (LASTIDX= num && num_of_bits < 32) 2024-07-11T15:27:57,176 | ~~~~~^~~~~~ 2024-07-11T15:27:57,176 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int sizeofints(int, unsigned int*)’: 2024-07-11T15:27:57,176 moleculekit/fileformats/xtc/src/xdrfile.cpp:505:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,176 505 | while (bytes[num_of_bytes] >= num) 2024-07-11T15:27:57,176 | ~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-07-11T15:27:57,178 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘void encodeints(int*, int, int, unsigned int*, unsigned int*)’: 2024-07-11T15:27:57,179 moleculekit/fileformats/xtc/src/xdrfile.cpp:614:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,179 614 | if (num_of_bits >= num_of_bytes * 8) 2024-07-11T15:27:57,179 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ 2024-07-11T15:27:57,179 moleculekit/fileformats/xtc/src/xdrfile.cpp:616:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,179 616 | for (i = 0; i < num_of_bytes; i++) 2024-07-11T15:27:57,179 | ~~^~~~~~~~~~~~~~ 2024-07-11T15:27:57,180 moleculekit/fileformats/xtc/src/xdrfile.cpp:624:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,180 624 | for (i = 0; i < num_of_bytes-1; i++) 2024-07-11T15:27:57,180 | ~~^~~~~~~~~~~~~~~~ 2024-07-11T15:27:57,180 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int decodebits(int*, int)’: 2024-07-11T15:27:57,180 moleculekit/fileformats/xtc/src/xdrfile.cpp:664:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,180 664 | if (lastbits < num_of_bits) 2024-07-11T15:27:57,180 | ~~~~~~~~~^~~~~~~~~~~~~ 2024-07-11T15:27:57,184 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_decompress_coord_float(float*, int*, float*, XDRFILE*)’: 2024-07-11T15:27:57,184 moleculekit/fileformats/xtc/src/xdrfile.cpp:785:10: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,184 785 | if(size3>xfp->buf1size) 2024-07-11T15:27:57,184 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:57,185 moleculekit/fileformats/xtc/src/xdrfile.cpp:842:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,186 842 | maxidx = (LASTIDX= size3 ) { return -1; } 2024-07-11T15:27:57,188 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:57,189 moleculekit/fileformats/xtc/src/xdrfile.cpp:935:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,189 935 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:57,189 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:57,189 moleculekit/fileformats/xtc/src/xdrfile.cpp:938:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,189 938 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:57,189 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:57,190 moleculekit/fileformats/xtc/src/xdrfile.cpp:945:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,190 945 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:57,190 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:57,190 moleculekit/fileformats/xtc/src/xdrfile.cpp:948:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,190 948 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:57,190 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:57,190 moleculekit/fileformats/xtc/src/xdrfile.cpp:951:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,191 951 | if(countmjh >= size3 ) { return -1; } 2024-07-11T15:27:57,191 | ~~~~~~~~~^~~~~~~~ 2024-07-11T15:27:57,191 moleculekit/fileformats/xtc/src/xdrfile.cpp:756:17: warning: variable ‘minidx’ set but not used [-Wunused-but-set-variable] 2024-07-11T15:27:57,191 756 | int smallidx, minidx, maxidx; 2024-07-11T15:27:57,191 | ^~~~~~ 2024-07-11T15:27:57,191 moleculekit/fileformats/xtc/src/xdrfile.cpp:759:25: warning: variable ‘larger’ set but not used [-Wunused-but-set-variable] 2024-07-11T15:27:57,191 759 | int smallnum, smaller, larger, i, is_smaller, run; 2024-07-11T15:27:57,191 | ^~~~~~ 2024-07-11T15:27:57,192 moleculekit/fileformats/xtc/src/xdrfile.cpp:763:6: warning: unused variable ‘errval’ [-Wunused-variable] 2024-07-11T15:27:57,192 763 | int errval=1; 2024-07-11T15:27:57,192 | ^~~~~~ 2024-07-11T15:27:57,192 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_compress_coord_float(float*, int, float, XDRFILE*)’: 2024-07-11T15:27:57,193 moleculekit/fileformats/xtc/src/xdrfile.cpp:1011:10: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,193 1011 | if(size3>xfp->buf1size) 2024-07-11T15:27:57,193 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:57,195 moleculekit/fileformats/xtc/src/xdrfile.cpp:1068:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,195 1068 | countmjh++; if( countmjh> size3) { return -1; } 2024-07-11T15:27:57,195 | ~~~~~~~~^~~~~~~ 2024-07-11T15:27:57,195 moleculekit/fileformats/xtc/src/xdrfile.cpp:1084:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,195 1084 | countmjh++; if( countmjh> size3) { return -1; } 2024-07-11T15:27:57,196 | ~~~~~~~~^~~~~~~ 2024-07-11T15:27:57,196 moleculekit/fileformats/xtc/src/xdrfile.cpp:1098:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,196 1098 | countmjh++; if( countmjh> size3) { return -1; } 2024-07-11T15:27:57,196 | ~~~~~~~~^~~~~~~ 2024-07-11T15:27:57,198 moleculekit/fileformats/xtc/src/xdrfile.cpp:1137:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,198 1137 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) 2024-07-11T15:27:57,198 | ^ 2024-07-11T15:27:57,198 moleculekit/fileformats/xtc/src/xdrfile.cpp:1143:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,198 1143 | maxidx = (LASTIDXxfp->buf1size) 2024-07-11T15:27:57,206 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:57,207 moleculekit/fileformats/xtc/src/xdrfile.cpp:1377:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,207 1377 | maxidx = (LASTIDXxfp->buf1size) { 2024-07-11T15:27:57,213 | ~~~~~^~~~~~~~~~~~~~ 2024-07-11T15:27:57,216 moleculekit/fileformats/xtc/src/xdrfile.cpp:1628:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:27:57,217 1628 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) { 2024-07-11T15:27:57,217 | ^ 2024-07-11T15:27:57,217 moleculekit/fileformats/xtc/src/xdrfile.cpp:1633:19: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:27:57,217 1633 | maxidx = (LASTIDX= __pyx_pybuffernd_forces.diminfo[2].shape)) __pyx_t_4 = 2; 2024-07-11T15:28:31,685 | ^ 2024-07-11T15:28:31,692 moleculekit/fileformats/xtc/trr.c:12009:19: warning: ‘__pyx_pybuffernd_forces.diminfo[1].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,692 12009 | } else if (unlikely(__pyx_t_30 >= __pyx_pybuffernd_forces.diminfo[1].shape)) __pyx_t_4 = 1; 2024-07-11T15:28:31,692 | ^ 2024-07-11T15:28:31,693 moleculekit/fileformats/xtc/trr.c:2485:95: warning: ‘__pyx_pybuffernd_forces.diminfo[0].strides’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,693 2485 | #define __Pyx_BufPtrCContig3d(type, buf, i0, s0, i1, s1, i2, s2) ((type)((char*)buf + i0 * s0 + i1 * s1) + i2) 2024-07-11T15:28:31,693 | ^ 2024-07-11T15:28:31,699 moleculekit/fileformats/xtc/trr.c:10545:21: note: ‘__pyx_pybuffernd_forces.diminfo[0].strides’ was declared here 2024-07-11T15:28:31,699 10545 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces; 2024-07-11T15:28:31,699 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:28:31,705 moleculekit/fileformats/xtc/trr.c:12003:59: warning: ‘__pyx_pybuffernd_forces.diminfo[0].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,706 12003 | __pyx_t_28 += __pyx_pybuffernd_forces.diminfo[0].shape; 2024-07-11T15:28:31,706 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-07-11T15:28:31,713 moleculekit/fileformats/xtc/trr.c:11956:19: warning: ‘__pyx_pybuffernd_vel.diminfo[2].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,713 11956 | } else if (unlikely(__pyx_t_30 >= __pyx_pybuffernd_vel.diminfo[2].shape)) __pyx_t_4 = 2; 2024-07-11T15:28:31,713 | ^ 2024-07-11T15:28:31,720 moleculekit/fileformats/xtc/trr.c:11952:19: warning: ‘__pyx_pybuffernd_vel.diminfo[1].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,720 11952 | } else if (unlikely(__pyx_t_29 >= __pyx_pybuffernd_vel.diminfo[1].shape)) __pyx_t_4 = 1; 2024-07-11T15:28:31,720 | ^ 2024-07-11T15:28:31,721 moleculekit/fileformats/xtc/trr.c:2485:95: warning: ‘__pyx_pybuffernd_vel.diminfo[0].strides’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,721 2485 | #define __Pyx_BufPtrCContig3d(type, buf, i0, s0, i1, s1, i2, s2) ((type)((char*)buf + i0 * s0 + i1 * s1) + i2) 2024-07-11T15:28:31,721 | ^ 2024-07-11T15:28:31,727 moleculekit/fileformats/xtc/trr.c:10561:21: note: ‘__pyx_pybuffernd_vel.diminfo[0].strides’ was declared here 2024-07-11T15:28:31,727 10561 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel; 2024-07-11T15:28:31,727 | ^~~~~~~~~~~~~~~~~~~~ 2024-07-11T15:28:31,733 moleculekit/fileformats/xtc/trr.c:11946:56: warning: ‘__pyx_pybuffernd_vel.diminfo[0].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,733 11946 | __pyx_t_28 += __pyx_pybuffernd_vel.diminfo[0].shape; 2024-07-11T15:28:31,733 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-07-11T15:28:31,739 moleculekit/fileformats/xtc/trr.c:12345:17: warning: ‘__pyx_pybuffernd_xyz_buffer.diminfo[1].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,739 12345 | } else if (unlikely(__pyx_t_29 >= __pyx_pybuffernd_xyz_buffer.diminfo[1].shape)) __pyx_t_4 = 1; 2024-07-11T15:28:31,740 | ^ 2024-07-11T15:28:31,747 moleculekit/fileformats/xtc/trr.c:12341:17: warning: ‘__pyx_pybuffernd_xyz_buffer.diminfo[0].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,747 12341 | } else if (unlikely(__pyx_t_30 >= __pyx_pybuffernd_xyz_buffer.diminfo[0].shape)) __pyx_t_4 = 0; 2024-07-11T15:28:31,747 | ^ 2024-07-11T15:28:31,754 moleculekit/fileformats/xtc/trr.c:12186:19: warning: ‘__pyx_pybuffernd_vel_buffer.diminfo[1].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,754 12186 | } else if (unlikely(__pyx_t_35 >= __pyx_pybuffernd_vel_buffer.diminfo[1].shape)) __pyx_t_4 = 1; 2024-07-11T15:28:31,754 | ^ 2024-07-11T15:28:31,761 moleculekit/fileformats/xtc/trr.c:12182:19: warning: ‘__pyx_pybuffernd_vel_buffer.diminfo[0].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,761 12182 | } else if (unlikely(__pyx_t_36 >= __pyx_pybuffernd_vel_buffer.diminfo[0].shape)) __pyx_t_4 = 0; 2024-07-11T15:28:31,762 | ^ 2024-07-11T15:28:31,767 moleculekit/fileformats/xtc/trr.c:12238:19: warning: ‘__pyx_pybuffernd_forces_buffer.diminfo[1].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,768 12238 | } else if (unlikely(__pyx_t_36 >= __pyx_pybuffernd_forces_buffer.diminfo[1].shape)) __pyx_t_4 = 1; 2024-07-11T15:28:31,768 | ^ 2024-07-11T15:28:31,775 moleculekit/fileformats/xtc/trr.c:12234:19: warning: ‘__pyx_pybuffernd_forces_buffer.diminfo[0].shape’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:31,775 12234 | } else if (unlikely(__pyx_t_35 >= __pyx_pybuffernd_forces_buffer.diminfo[0].shape)) __pyx_t_4 = 0; 2024-07-11T15:28:31,775 | ^ 2024-07-11T15:28:38,187 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdr_seek.o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdrfile.o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdrfile_trr.o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/trr.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/trr.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:28:38,367 building 'moleculekit.dcd' extension 2024-07-11T15:28:38,368 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/dcd 2024-07-11T15:28:38,369 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/src 2024-07-11T15:28:38,371 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/fileformats/dcd -Imoleculekit/fileformats/dcd/include/ -Imoleculekit/fileformats/dcd/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/fileformats/dcd/dcd.c -o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/dcd.o 2024-07-11T15:28:38,711 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:28:38,711 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:28:38,711 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:28:38,711 from moleculekit/fileformats/dcd/dcd.c:1256: 2024-07-11T15:28:38,711 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:28:38,711 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:28:38,712 | ^~~~~~~ 2024-07-11T15:28:39,737 In file included from moleculekit/fileformats/dcd/include/dcdplugin.h:1, 2024-07-11T15:28:39,737 from moleculekit/fileformats/dcd/dcd.c:1262: 2024-07-11T15:28:39,738 moleculekit/fileformats/dcd/include/fastio.h:474:12: warning: ‘fio_write_str’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,738 474 | static int fio_write_str(fio_fd fd, const char *str) { 2024-07-11T15:28:39,738 | ^~~~~~~~~~~~~ 2024-07-11T15:28:39,738 moleculekit/fileformats/dcd/include/fastio.h:470:12: warning: ‘fio_read_int32’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,738 470 | static int fio_read_int32(fio_fd fd, int *i) { 2024-07-11T15:28:39,738 | ^~~~~~~~~~~~~~ 2024-07-11T15:28:39,738 moleculekit/fileformats/dcd/include/fastio.h:466:12: warning: ‘fio_write_int32’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,739 466 | static int fio_write_int32(fio_fd fd, int i) { 2024-07-11T15:28:39,739 | ^~~~~~~~~~~~~~~ 2024-07-11T15:28:39,739 moleculekit/fileformats/dcd/include/fastio.h:457:19: warning: ‘fio_ftell’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,739 457 | static fio_size_t fio_ftell(fio_fd fd) { 2024-07-11T15:28:39,739 | ^~~~~~~~~ 2024-07-11T15:28:39,739 moleculekit/fileformats/dcd/include/fastio.h:450:19: warning: ‘fio_fseek’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,739 450 | static fio_size_t fio_fseek(fio_fd fd, fio_size_t offset, int whence) { 2024-07-11T15:28:39,739 | ^~~~~~~~~ 2024-07-11T15:28:39,740 moleculekit/fileformats/dcd/include/fastio.h:415:19: warning: ‘fio_readv’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,740 415 | static fio_size_t fio_readv(fio_fd fd, const fio_iovec * iov, int iovcnt) { 2024-07-11T15:28:39,740 | ^~~~~~~~~ 2024-07-11T15:28:39,740 moleculekit/fileformats/dcd/include/fastio.h:394:12: warning: ‘fio_fclose’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,740 394 | static int fio_fclose(fio_fd fd) { 2024-07-11T15:28:39,740 | ^~~~~~~~~~ 2024-07-11T15:28:39,740 moleculekit/fileformats/dcd/include/fastio.h:366:12: warning: ‘fio_open’ defined but not used [-Wunused-function] 2024-07-11T15:28:39,740 366 | static int fio_open(const char *filename, int mode, fio_fd *fd) { 2024-07-11T15:28:39,741 | ^~~~~~~~ 2024-07-11T15:28:52,390 moleculekit/fileformats/dcd/dcd.c: In function ‘__pyx_pf_11moleculekit_3dcd_17DCDTrajectoryFile_18read’: 2024-07-11T15:28:52,390 moleculekit/fileformats/dcd/dcd.c:1158:40: warning: ‘__pyx_v_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:28:52,390 1158 | #define PyInt_FromLong PyLong_FromLong 2024-07-11T15:28:52,390 | ^~~~~~~~~~~~~~~ 2024-07-11T15:28:52,395 moleculekit/fileformats/dcd/dcd.c:8476:7: note: ‘__pyx_v_i’ was declared here 2024-07-11T15:28:52,395 8476 | int __pyx_v_i; 2024-07-11T15:28:52,395 | ^~~~~~~~~ 2024-07-11T15:28:55,621 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/fileformats/dcd -Imoleculekit/fileformats/dcd/include/ -Imoleculekit/fileformats/dcd/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/fileformats/dcd/src/dcdplugin.c -o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/src/dcdplugin.o 2024-07-11T15:28:55,807 moleculekit/fileformats/dcd/src/dcdplugin.c: In function ‘read_dcdheader’: 2024-07-11T15:28:55,807 moleculekit/fileformats/dcd/src/dcdplugin.c:150:55: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:28:55,808 150 | else if (input_integer[0] == 84 && input_integer[1] == dcdcordmagic) 2024-07-11T15:28:55,808 | ^~ 2024-07-11T15:28:55,808 moleculekit/fileformats/dcd/src/dcdplugin.c:173:54: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:28:55,808 173 | if (input_integer[0] == 84 && input_integer[1] == dcdcordmagic) 2024-07-11T15:28:55,808 | ^~ 2024-07-11T15:28:55,808 moleculekit/fileformats/dcd/src/dcdplugin.c:194:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:28:55,809 194 | if (input_integer[0] != dcdcordmagic) 2024-07-11T15:28:55,809 | ^~ 2024-07-11T15:28:55,812 moleculekit/fileformats/dcd/src/dcdplugin.c:409:47: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:28:55,812 409 | if ((input_integer[0] + input_integer[1]) != ((*N) - (*NAMNF)) * 4) 2024-07-11T15:28:55,812 | ^~ 2024-07-11T15:28:55,812 moleculekit/fileformats/dcd/src/dcdplugin.c:428:47: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-07-11T15:28:55,812 428 | if ((input_integer[0] + input_integer[1]) != ((*N) - (*NAMNF)) * 4) 2024-07-11T15:28:55,813 | ^~ 2024-07-11T15:28:55,816 moleculekit/fileformats/dcd/src/dcdplugin.c: In function ‘read_dcdstep’: 2024-07-11T15:28:55,816 moleculekit/fileformats/dcd/src/dcdplugin.c:651:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:28:55,816 651 | if (tmpbuf[i] != sizeof(float) * N) 2024-07-11T15:28:55,816 | ^~ 2024-07-11T15:28:55,817 moleculekit/fileformats/dcd/src/dcdplugin.c:659:49: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-07-11T15:28:55,817 659 | if ((tmpbuf[2 * i] + tmpbuf[2 * i + 1]) != sizeof(float) * N) 2024-07-11T15:28:55,817 | ^~ 2024-07-11T15:28:55,839 In file included from moleculekit/fileformats/dcd/src/dcdplugin.c:55: 2024-07-11T15:28:55,840 At top level: 2024-07-11T15:28:55,840 moleculekit/fileformats/dcd/include/endianswap.h:96:13: warning: ‘swap2_aligned’ defined but not used [-Wunused-function] 2024-07-11T15:28:55,840 96 | static void swap2_aligned(void *v, long ndata) { 2024-07-11T15:28:55,840 | ^~~~~~~~~~~~~ 2024-07-11T15:28:55,840 moleculekit/fileformats/dcd/include/endianswap.h:32:13: warning: ‘swap2_unaligned’ defined but not used [-Wunused-function] 2024-07-11T15:28:55,841 32 | static void swap2_unaligned(void *v, long ndata) { 2024-07-11T15:28:55,841 | ^~~~~~~~~~~~~~~ 2024-07-11T15:28:55,841 In file included from moleculekit/fileformats/dcd/src/dcdplugin.c:46: 2024-07-11T15:28:55,841 moleculekit/fileformats/dcd/include/fastio.h:474:12: warning: ‘fio_write_str’ defined but not used [-Wunused-function] 2024-07-11T15:28:55,841 474 | static int fio_write_str(fio_fd fd, const char *str) { 2024-07-11T15:28:55,841 | ^~~~~~~~~~~~~ 2024-07-11T15:28:55,841 moleculekit/fileformats/dcd/include/fastio.h:470:12: warning: ‘fio_read_int32’ defined but not used [-Wunused-function] 2024-07-11T15:28:55,842 470 | static int fio_read_int32(fio_fd fd, int *i) { 2024-07-11T15:28:55,842 | ^~~~~~~~~~~~~~ 2024-07-11T15:28:56,949 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/dcd.o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/src/dcdplugin.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/dcd.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:28:57,096 building 'moleculekit.binpos' extension 2024-07-11T15:28:57,096 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/binpos 2024-07-11T15:28:57,097 creating build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/src 2024-07-11T15:28:57,098 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/fileformats/binpos -Imoleculekit/fileformats/binpos/include/ -Imoleculekit/fileformats/binpos/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/fileformats/binpos/binpos.c -o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/binpos.o 2024-07-11T15:28:57,438 In file included from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarraytypes.h:1909, 2024-07-11T15:28:57,438 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/ndarrayobject.h:12, 2024-07-11T15:28:57,438 from /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/arrayobject.h:5, 2024-07-11T15:28:57,438 from moleculekit/fileformats/binpos/binpos.c:1256: 2024-07-11T15:28:57,438 /tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] 2024-07-11T15:28:57,439 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-07-11T15:28:57,439 | ^~~~~~~ 2024-07-11T15:29:10,870 moleculekit/fileformats/binpos/binpos.c: In function ‘__pyx_pw_11moleculekit_6binpos_20BINPOSTrajectoryFile_7_read’: 2024-07-11T15:29:10,875 moleculekit/fileformats/binpos/binpos.c:8499:6: warning: ‘__pyx_v_status’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:29:10,875 8499 | if (__pyx_t_1) { 2024-07-11T15:29:10,875 | ^ 2024-07-11T15:29:10,880 moleculekit/fileformats/binpos/binpos.c:7976:7: note: ‘__pyx_v_status’ was declared here 2024-07-11T15:29:10,880 7976 | int __pyx_v_status; 2024-07-11T15:29:10,880 | ^~~~~~~~~~~~~~ 2024-07-11T15:29:10,881 moleculekit/fileformats/binpos/binpos.c:1158:40: warning: ‘__pyx_v_i’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-07-11T15:29:10,881 1158 | #define PyInt_FromLong PyLong_FromLong 2024-07-11T15:29:10,882 | ^~~~~~~~~~~~~~~ 2024-07-11T15:29:10,886 moleculekit/fileformats/binpos/binpos.c:7973:7: note: ‘__pyx_v_i’ was declared here 2024-07-11T15:29:10,886 7973 | int __pyx_v_i; 2024-07-11T15:29:10,886 | ^~~~~~~~~ 2024-07-11T15:29:13,109 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/fileformats/binpos -Imoleculekit/fileformats/binpos/include/ -Imoleculekit/fileformats/binpos/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/fileformats/binpos/src/binposplugin.c -o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/src/binposplugin.o 2024-07-11T15:29:13,407 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/binpos.o build/temp.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/src/binposplugin.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/binpos.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:29:13,543 building 'moleculekit.tmalign' extension 2024-07-11T15:29:13,544 creating build/temp.linux-armv7l-cpython-39/moleculekit/tmalign 2024-07-11T15:29:13,544 creating build/temp.linux-armv7l-cpython-39/moleculekit/tmalign/src 2024-07-11T15:29:13,546 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/tmalign -Imoleculekit/tmalign/include/ -Imoleculekit/tmalign/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/tmalign/src/TMAlign.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/tmalign/src/TMAlign.o -w 2024-07-11T15:29:43,047 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/tmalign -Imoleculekit/tmalign/include/ -Imoleculekit/tmalign/ -I/tmp/pip-build-env-o3rem83j/overlay/lib/python3.9/site-packages/numpy/_core/include -I/usr/include/python3.9 -c moleculekit/tmalign/tmalign_util.cpp -o build/temp.linux-armv7l-cpython-39/moleculekit/tmalign/tmalign_util.o -w 2024-07-11T15:30:01,463 In file included from /usr/include/c++/10/vector:72, 2024-07-11T15:30:01,463 from moleculekit/tmalign/tmalign_util.cpp:1280: 2024-07-11T15:30:01,463 /usr/include/c++/10/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2024-07-11T15:30:01,463 /usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2024-07-11T15:30:01,463 426 | vector<_Tp, _Alloc>:: 2024-07-11T15:30:01,463 | ^~~~~~~~~~~~~~~~~~~ 2024-07-11T15:30:02,043 In file included from /usr/include/c++/10/vector:67, 2024-07-11T15:30:02,043 from moleculekit/tmalign/tmalign_util.cpp:1280: 2024-07-11T15:30:02,043 /usr/include/c++/10/bits/stl_vector.h: In function ‘PyObject* __pyx_pw_11moleculekit_7tmalign_1tmalign(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’: 2024-07-11T15:30:02,043 /usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2024-07-11T15:30:02,043 1198 | _M_realloc_insert(end(), __x); 2024-07-11T15:30:02,043 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-07-11T15:30:02,044 /usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2024-07-11T15:30:02,044 1198 | _M_realloc_insert(end(), __x); 2024-07-11T15:30:02,044 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-07-11T15:30:02,044 /usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2024-07-11T15:30:02,045 1198 | _M_realloc_insert(end(), __x); 2024-07-11T15:30:02,045 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-07-11T15:30:04,491 arm-linux-gnueabihf-g++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 build/temp.linux-armv7l-cpython-39/moleculekit/tmalign/src/TMAlign.o build/temp.linux-armv7l-cpython-39/moleculekit/tmalign/tmalign_util.o -L/usr/lib -o build/lib.linux-armv7l-cpython-39/moleculekit/tmalign.cpython-39-arm-linux-gnueabihf.so 2024-07-11T15:30:04,933 UPDATING build/lib.linux-armv7l-cpython-39/moleculekit/_version.py 2024-07-11T15:30:04,933 set build/lib.linux-armv7l-cpython-39/moleculekit/_version.py to '1.9.2' 2024-07-11T15:30:04,933 installing to build/bdist.linux-armv7l/wheel 2024-07-11T15:30:04,933 running install 2024-07-11T15:30:04,960 running install_lib 2024-07-11T15:30:04,967 creating build/bdist.linux-armv7l 2024-07-11T15:30:04,968 creating build/bdist.linux-armv7l/wheel 2024-07-11T15:30:04,970 creating build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:04,972 copying build/lib.linux-armv7l-cpython-39/moleculekit/xtc.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:04,994 creating build/bdist.linux-armv7l/wheel/moleculekit/distance_utils 2024-07-11T15:30:04,995 copying build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils/distance_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/distance_utils 2024-07-11T15:30:05,022 copying build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils/distance_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/distance_utils 2024-07-11T15:30:05,026 creating build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-07-11T15:30:05,027 copying build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/tmalign_util.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-07-11T15:30:05,046 copying build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/tmalign_util.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-07-11T15:30:05,049 creating build/bdist.linux-armv7l/wheel/moleculekit/tmalign/include 2024-07-11T15:30:05,050 copying build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/include/TMAlign.h -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign/include 2024-07-11T15:30:05,052 copying build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/tmalignlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-07-11T15:30:05,054 creating build/bdist.linux-armv7l/wheel/moleculekit/tmalign/src 2024-07-11T15:30:05,056 copying build/lib.linux-armv7l-cpython-39/moleculekit/tmalign/src/TMAlign.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign/src 2024-07-11T15:30:05,061 copying build/lib.linux-armv7l-cpython-39/moleculekit/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,063 copying build/lib.linux-armv7l-cpython-39/moleculekit/vmdviewer.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,067 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-07-11T15:30:05,068 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-07-11T15:30:05,070 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/netcdf.py -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-07-11T15:30:05,073 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-07-11T15:30:05,074 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/binposlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-07-11T15:30:05,077 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-07-11T15:30:05,078 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include/molfile_plugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-07-11T15:30:05,081 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include/binposplugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-07-11T15:30:05,083 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/include/largefiles.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-07-11T15:30:05,085 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/binpos.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-07-11T15:30:05,099 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/binpos.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-07-11T15:30:05,102 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/src 2024-07-11T15:30:05,103 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/binpos/src/binposplugin.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/src 2024-07-11T15:30:05,105 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/utils.py -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-07-11T15:30:05,108 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,109 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/trr.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,111 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/trr.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,132 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/xdrlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,134 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/xtc.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,137 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,138 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include/xdrfile_xtc.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,140 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include/xdr_seek.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,142 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include/xdrfile_trr.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,145 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include/xtc.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,146 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include/trr_header.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,149 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/include/xdrfile.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-07-11T15:30:05,151 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/xtclib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,153 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/trrlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,156 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-07-11T15:30:05,157 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdr_seek.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-07-11T15:30:05,159 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdrfile.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-07-11T15:30:05,162 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdrfile_xtc.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-07-11T15:30:05,164 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xdrfile_trr.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-07-11T15:30:05,167 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/src/xtc.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-07-11T15:30:05,169 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/xtc/xtc.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-07-11T15:30:05,198 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-07-11T15:30:05,199 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/dcdlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-07-11T15:30:05,202 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/dcd.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-07-11T15:30:05,205 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-07-11T15:30:05,206 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include/dcdplugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-07-11T15:30:05,208 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include/molfile_plugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-07-11T15:30:05,211 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include/largefiles.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-07-11T15:30:05,213 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include/fastio.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-07-11T15:30:05,216 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/include/endianswap.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-07-11T15:30:05,219 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/src 2024-07-11T15:30:05,220 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/src/dcdplugin.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/src 2024-07-11T15:30:05,223 copying build/lib.linux-armv7l-cpython-39/moleculekit/fileformats/dcd/dcd.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-07-11T15:30:05,241 copying build/lib.linux-armv7l-cpython-39/moleculekit/distance_utils.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,274 copying build/lib.linux-armv7l-cpython-39/moleculekit/rcsb.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,276 creating build/bdist.linux-armv7l/wheel/moleculekit/atomselect_utils 2024-07-11T15:30:05,277 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils/atomselect_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect_utils 2024-07-11T15:30:05,302 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils/atomselect_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect_utils 2024-07-11T15:30:05,304 copying build/lib.linux-armv7l-cpython-39/moleculekit/rdkitintegration.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,306 copying build/lib.linux-armv7l-cpython-39/moleculekit/distance.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,308 copying build/lib.linux-armv7l-cpython-39/moleculekit/align.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,310 creating build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,311 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metrictmscore.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,314 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,316 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricdihedral.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,318 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricrmsd.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,320 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/projection.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,322 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metriccoordinate.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,324 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricsecondarystructure.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,327 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricsphericalcoordinate.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,328 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricplumed2.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,331 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricdistance.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,334 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricshell.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,336 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricsasa.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,338 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/util.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,340 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricgyration.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,342 copying build/lib.linux-armv7l-cpython-39/moleculekit/projections/metricfluctuation.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-07-11T15:30:05,345 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,346 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,347 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/interactions.py -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,350 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,378 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,401 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/cationpi 2024-07-11T15:30:05,402 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi/cationpi.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/cationpi 2024-07-11T15:30:05,405 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/cationpi/cationpi.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/cationpi 2024-07-11T15:30:05,431 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,453 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/pipi 2024-07-11T15:30:05,454 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi/pipi.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/pipi 2024-07-11T15:30:05,456 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/pipi/pipi.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/pipi 2024-07-11T15:30:05,477 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/hbonds 2024-07-11T15:30:05,477 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds/hbonds.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/hbonds 2024-07-11T15:30:05,503 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds/hbonds.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/hbonds 2024-07-11T15:30:05,506 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/sigmahole 2024-07-11T15:30:05,507 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole/sigmahole.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/sigmahole 2024-07-11T15:30:05,528 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/sigmahole/sigmahole.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/sigmahole 2024-07-11T15:30:05,530 copying build/lib.linux-armv7l-cpython-39/moleculekit/interactions/hbonds.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-07-11T15:30:05,551 copying build/lib.linux-armv7l-cpython-39/moleculekit/dcd.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,567 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect_utils.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,593 copying build/lib.linux-armv7l-cpython-39/moleculekit/viewer.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,594 copying build/lib.linux-armv7l-cpython-39/moleculekit/home.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,597 creating build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,597 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/smallmolcdp.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,600 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,601 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/test_smallmol.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,603 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/test_smallmollib.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,605 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/smallmollib.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,608 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/smallmol.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,611 creating build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-07-11T15:30:05,612 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-07-11T15:30:05,614 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools/test_tools.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-07-11T15:30:05,616 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools/clustering.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-07-11T15:30:05,618 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/tools/restrainedembed.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-07-11T15:30:05,620 copying build/lib.linux-armv7l-cpython-39/moleculekit/smallmol/util.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-07-11T15:30:05,622 copying build/lib.linux-armv7l-cpython-39/moleculekit/_version.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,624 copying build/lib.linux-armv7l-cpython-39/moleculekit/pymolgraphics.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,625 copying build/lib.linux-armv7l-cpython-39/moleculekit/opm.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,627 copying build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,645 copying build/lib.linux-armv7l-cpython-39/moleculekit/config.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,647 creating build/bdist.linux-armv7l/wheel/moleculekit/cython_utils 2024-07-11T15:30:05,648 copying build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils/cython_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/cython_utils 2024-07-11T15:30:05,650 copying build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils/cython_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/cython_utils 2024-07-11T15:30:05,677 copying build/lib.linux-armv7l-cpython-39/moleculekit/version.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,678 copying build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,680 copying build/lib.linux-armv7l-cpython-39/moleculekit/readers.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,684 copying build/lib.linux-armv7l-cpython-39/moleculekit/writers.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:05,688 creating build/bdist.linux-armv7l/wheel/moleculekit/share 2024-07-11T15:30:05,689 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/opm_sequences.json -> build/bdist.linux-armv7l/wheel/moleculekit/share 2024-07-11T15:30:05,888 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/ALA.cif -> build/bdist.linux-armv7l/wheel/moleculekit/share 2024-07-11T15:30:05,890 creating build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr 2024-07-11T15:30:05,894 creating build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,895 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ONL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,897 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/4PQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,899 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/004.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,901 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/PRK.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,903 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/BB8.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,905 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/LME.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,907 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/OCY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,908 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/PCA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,910 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NLE.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,912 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DAH.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,913 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TRO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,915 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/03Y.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,917 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/IIL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,919 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/D4P.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,920 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HOX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,923 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/BTK.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,924 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/KYN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,926 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/004.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,928 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MEN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,929 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/D4P.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,931 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/GNC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,933 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/LMQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,935 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,936 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NAL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,938 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,940 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/OCY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,942 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NZC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,943 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DPP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,945 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HTR.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,947 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HHK.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,948 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/PRK.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,950 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MLZ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,952 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ORM.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,953 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,955 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,957 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/0A1.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,959 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/4PH.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,962 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DPP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,964 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ME0.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,966 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/4PQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,968 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/LYZ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,970 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/SEP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,972 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CGU.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,974 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/4IN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,977 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/PCA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,979 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/YCM.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,981 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ALN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,983 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/5JP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,985 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ABA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,987 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/FGL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,990 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NCY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,992 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DA2.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,994 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/4PH.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,997 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/BCS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:05,999 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MEQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,001 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/LYZ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,003 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/P1L.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,005 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HLU.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,007 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ESC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,009 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/IGL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,011 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HQA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,013 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/GHG.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,015 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ALY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,017 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/YCM.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,020 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/GME.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,022 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ALN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,024 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HYP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,026 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/0BN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,028 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/AHP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,030 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/IML.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,032 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ORM.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,034 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CCS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,036 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/5JP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,038 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/M3L.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,040 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ALC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,043 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ABA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,045 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/P1L.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,047 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2MR.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,049 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MME.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,052 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MVA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,054 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/BCS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,056 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/YNM.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,058 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/M3L.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,060 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2AS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,061 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,063 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2ML.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,065 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/AA4.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,067 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/03Y.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,068 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/IML.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,070 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DA2.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,072 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MEN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,073 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/0A1.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,075 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TYQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,077 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/1MH.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,078 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,080 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2MR.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,082 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MMO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,084 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2AS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,086 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MEQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,088 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HPE.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,089 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/BB8.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,091 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2ML.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,093 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MMO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,094 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TPO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,096 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HLX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,098 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/APD.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,100 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/APD.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,101 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/LMQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,103 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HTR.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,105 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TPO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,106 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,108 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NAL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,110 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HHK.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,112 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MLZ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,114 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MLE.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,115 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NVA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,117 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DAB.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,119 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ESC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,120 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TY2.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,122 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/BTK.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,124 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HOX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,126 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/IIL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,128 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/LME.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,130 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/IGL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,132 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/FGL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,133 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/GNC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,135 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HLX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,137 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HQA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,139 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NLE.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,140 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2GX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,142 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ME0.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,144 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/1MH.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,146 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HLU.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,147 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TYQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,149 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MLY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,151 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/OMX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,153 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/AHP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,154 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ONL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,156 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TY2.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,158 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CGU.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,160 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ALC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,161 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/.gitkeep -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,163 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/I2M.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,165 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HPE.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,167 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/4IN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,168 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/2GX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,171 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/ALY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,172 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/I2M.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,174 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NVA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,176 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/0BN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,177 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/0AF.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,179 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CSS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,181 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/0AF.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,183 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/AA4.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,185 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/GME.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,187 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NZC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,188 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DAH.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,190 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MEA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,192 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MME.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,193 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MLY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,195 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/PTR.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,197 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MEA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,199 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/YNM.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,201 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MLE.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,203 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/GHG.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,205 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/PTR.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,206 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/HYP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,208 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/NCY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,210 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/SEP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,212 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/OMX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,214 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/KYN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,215 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/CCS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,217 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/TRO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,219 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/DAB.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,221 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/pdb2pqr/residues/MVA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-07-11T15:30:06,222 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/backbone.cif -> build/bdist.linux-armv7l/wheel/moleculekit/share 2024-07-11T15:30:06,224 creating build/bdist.linux-armv7l/wheel/moleculekit/share/atomselect 2024-07-11T15:30:06,225 copying build/lib.linux-armv7l-cpython-39/moleculekit/share/atomselect/atomselect.json -> build/bdist.linux-armv7l/wheel/moleculekit/share/atomselect 2024-07-11T15:30:06,227 creating build/bdist.linux-armv7l/wheel/moleculekit/bondguesser_utils 2024-07-11T15:30:06,228 copying build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils/bondguesser_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/bondguesser_utils 2024-07-11T15:30:06,250 copying build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils/bondguesser_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/bondguesser_utils 2024-07-11T15:30:06,253 creating build/bdist.linux-armv7l/wheel/moleculekit/occupancy_utils 2024-07-11T15:30:06,253 copying build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils/occupancy_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/occupancy_utils 2024-07-11T15:30:06,255 copying build/lib.linux-armv7l-cpython-39/moleculekit/occupancy_utils/occupancy_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/occupancy_utils 2024-07-11T15:30:06,283 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx 2024-07-11T15:30:06,284 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-07-11T15:30:06,285 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-07-11T15:30:06,287 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader/PdbxReader.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-07-11T15:30:06,289 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader/PdbxContainers.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-07-11T15:30:06,292 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader/PdbxParser.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-07-11T15:30:06,294 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/reader/BinaryCifReader.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-07-11T15:30:06,297 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx 2024-07-11T15:30:06,299 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx/writer 2024-07-11T15:30:06,300 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/writer/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/writer 2024-07-11T15:30:06,301 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/writer/PdbxWriter.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/writer 2024-07-11T15:30:06,304 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-07-11T15:30:06,305 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests/PdbxReadWriteTests.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-07-11T15:30:06,308 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests/PdbxWriterTests.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-07-11T15:30:06,310 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-07-11T15:30:06,311 copying build/lib.linux-armv7l-cpython-39/moleculekit/pdbx/tests/PdbxReaderTests.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-07-11T15:30:06,314 creating build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,315 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/hhblitsprofile.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,317 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/moleculechecks.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,319 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/voxeldescriptors.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,322 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,323 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/sequencestructuralalignment.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,326 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/modelling.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,328 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/docking.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,330 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/graphalignment.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,332 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/preparation.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,335 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/atomtyper.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,337 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/detect.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,340 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/crystalpacking.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,342 creating build/bdist.linux-armv7l/wheel/moleculekit/tools/obabel_tools 2024-07-11T15:30:06,343 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/obabel_tools/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools/obabel_tools 2024-07-11T15:30:06,345 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/obabel_tools/obabel_cli.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools/obabel_tools 2024-07-11T15:30:06,347 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/preparation_customres.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,349 copying build/lib.linux-armv7l-cpython-39/moleculekit/tools/autosegment.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-07-11T15:30:06,352 copying build/lib.linux-armv7l-cpython-39/moleculekit/molecule.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,356 copying build/lib.linux-armv7l-cpython-39/moleculekit/binpos.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,370 creating build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-07-11T15:30:06,371 copying build/lib.linux-armv7l-cpython-39/moleculekit/ply/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-07-11T15:30:06,373 copying build/lib.linux-armv7l-cpython-39/moleculekit/ply/yacc.py -> build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-07-11T15:30:06,377 copying build/lib.linux-armv7l-cpython-39/moleculekit/ply/lex.py -> build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-07-11T15:30:06,380 copying build/lib.linux-armv7l-cpython-39/moleculekit/wrapping.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,400 copying build/lib.linux-armv7l-cpython-39/moleculekit/util.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,402 copying build/lib.linux-armv7l-cpython-39/moleculekit/vmdgraphics.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,405 copying build/lib.linux-armv7l-cpython-39/moleculekit/logging.ini -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,406 copying build/lib.linux-armv7l-cpython-39/moleculekit/periodictable.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,409 creating build/bdist.linux-armv7l/wheel/moleculekit/wrapping 2024-07-11T15:30:06,410 copying build/lib.linux-armv7l-cpython-39/moleculekit/wrapping/wrapping.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/wrapping 2024-07-11T15:30:06,433 copying build/lib.linux-armv7l-cpython-39/moleculekit/wrapping/wrapping.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/wrapping 2024-07-11T15:30:06,435 copying build/lib.linux-armv7l-cpython-39/moleculekit/vmd_wrapper -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,437 copying build/lib.linux-armv7l-cpython-39/moleculekit/tmalign.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,489 copying build/lib.linux-armv7l-cpython-39/moleculekit/dihedral.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,491 copying build/lib.linux-armv7l-cpython-39/moleculekit/trr.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,515 creating build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-07-11T15:30:06,516 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect/languageparser.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-07-11T15:30:06,519 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-07-11T15:30:06,520 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect/analyze.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-07-11T15:30:06,523 copying build/lib.linux-armv7l-cpython-39/moleculekit/atomselect/atomselect.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-07-11T15:30:06,526 copying build/lib.linux-armv7l-cpython-39/moleculekit/bondguesser_utils.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,546 copying build/lib.linux-armv7l-cpython-39/moleculekit/cython_utils.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-07-11T15:30:06,566 running install_egg_info 2024-07-11T15:30:06,572 Copying moleculekit.egg-info to build/bdist.linux-armv7l/wheel/moleculekit-1.9.2-py3.9.egg-info 2024-07-11T15:30:06,584 running install_scripts 2024-07-11T15:30:06,630 creating build/bdist.linux-armv7l/wheel/moleculekit-1.9.2.dist-info/WHEEL 2024-07-11T15:30:06,633 creating '/tmp/pip-wheel-_qjgocv3/.tmp-zfej7uxu/moleculekit-1.9.2-cp39-cp39-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-07-11T15:30:06,636 adding 'moleculekit/__init__.py' 2024-07-11T15:30:06,637 adding 'moleculekit/_version.py' 2024-07-11T15:30:06,639 adding 'moleculekit/align.py' 2024-07-11T15:30:06,950 adding 'moleculekit/atomselect_utils.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:07,111 adding 'moleculekit/binpos.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:07,118 adding 'moleculekit/bondguesser.py' 2024-07-11T15:30:07,361 adding 'moleculekit/bondguesser_utils.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:07,370 adding 'moleculekit/config.py' 2024-07-11T15:30:07,628 adding 'moleculekit/cython_utils.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:07,800 adding 'moleculekit/dcd.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:07,806 adding 'moleculekit/dihedral.py' 2024-07-11T15:30:07,808 adding 'moleculekit/distance.py' 2024-07-11T15:30:08,137 adding 'moleculekit/distance_utils.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:08,149 adding 'moleculekit/home.py' 2024-07-11T15:30:08,150 adding 'moleculekit/logging.ini' 2024-07-11T15:30:08,165 adding 'moleculekit/molecule.py' 2024-07-11T15:30:08,392 adding 'moleculekit/occupancy_utils.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:08,401 adding 'moleculekit/opm.py' 2024-07-11T15:30:08,403 adding 'moleculekit/periodictable.py' 2024-07-11T15:30:08,405 adding 'moleculekit/pymolgraphics.py' 2024-07-11T15:30:08,406 adding 'moleculekit/rcsb.py' 2024-07-11T15:30:08,407 adding 'moleculekit/rdkitintegration.py' 2024-07-11T15:30:08,422 adding 'moleculekit/readers.py' 2024-07-11T15:30:09,026 adding 'moleculekit/tmalign.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:09,338 adding 'moleculekit/trr.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:09,350 adding 'moleculekit/util.py' 2024-07-11T15:30:09,351 adding 'moleculekit/version.py' 2024-07-11T15:30:09,353 adding 'moleculekit/viewer.py' 2024-07-11T15:30:09,354 adding 'moleculekit/vmd_wrapper' 2024-07-11T15:30:09,356 adding 'moleculekit/vmdgraphics.py' 2024-07-11T15:30:09,358 adding 'moleculekit/vmdviewer.py' 2024-07-11T15:30:09,612 adding 'moleculekit/wrapping.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:09,626 adding 'moleculekit/writers.py' 2024-07-11T15:30:09,894 adding 'moleculekit/xtc.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:09,904 adding 'moleculekit/atomselect/__init__.py' 2024-07-11T15:30:09,907 adding 'moleculekit/atomselect/analyze.py' 2024-07-11T15:30:09,910 adding 'moleculekit/atomselect/atomselect.py' 2024-07-11T15:30:09,912 adding 'moleculekit/atomselect/languageparser.py' 2024-07-11T15:30:10,017 adding 'moleculekit/atomselect_utils/atomselect_utils.cpp' 2024-07-11T15:30:10,028 adding 'moleculekit/atomselect_utils/atomselect_utils.pyx' 2024-07-11T15:30:10,121 adding 'moleculekit/bondguesser_utils/bondguesser_utils.cpp' 2024-07-11T15:30:10,131 adding 'moleculekit/bondguesser_utils/bondguesser_utils.pyx' 2024-07-11T15:30:10,221 adding 'moleculekit/cython_utils/cython_utils.cpp' 2024-07-11T15:30:10,230 adding 'moleculekit/cython_utils/cython_utils.pyx' 2024-07-11T15:30:10,335 adding 'moleculekit/distance_utils/distance_utils.cpp' 2024-07-11T15:30:10,346 adding 'moleculekit/distance_utils/distance_utils.pyx' 2024-07-11T15:30:10,347 adding 'moleculekit/fileformats/__init__.py' 2024-07-11T15:30:10,353 adding 'moleculekit/fileformats/netcdf.py' 2024-07-11T15:30:10,355 adding 'moleculekit/fileformats/utils.py' 2024-07-11T15:30:10,417 adding 'moleculekit/fileformats/binpos/binpos.c' 2024-07-11T15:30:10,424 adding 'moleculekit/fileformats/binpos/binpos.pyx' 2024-07-11T15:30:10,426 adding 'moleculekit/fileformats/binpos/binposlib.pxd' 2024-07-11T15:30:10,427 adding 'moleculekit/fileformats/binpos/include/binposplugin.h' 2024-07-11T15:30:10,429 adding 'moleculekit/fileformats/binpos/include/largefiles.h' 2024-07-11T15:30:10,434 adding 'moleculekit/fileformats/binpos/include/molfile_plugin.h' 2024-07-11T15:30:10,436 adding 'moleculekit/fileformats/binpos/src/binposplugin.c' 2024-07-11T15:30:10,501 adding 'moleculekit/fileformats/dcd/dcd.c' 2024-07-11T15:30:10,509 adding 'moleculekit/fileformats/dcd/dcd.pyx' 2024-07-11T15:30:10,510 adding 'moleculekit/fileformats/dcd/dcdlib.pxd' 2024-07-11T15:30:10,512 adding 'moleculekit/fileformats/dcd/include/dcdplugin.h' 2024-07-11T15:30:10,514 adding 'moleculekit/fileformats/dcd/include/endianswap.h' 2024-07-11T15:30:10,516 adding 'moleculekit/fileformats/dcd/include/fastio.h' 2024-07-11T15:30:10,517 adding 'moleculekit/fileformats/dcd/include/largefiles.h' 2024-07-11T15:30:10,522 adding 'moleculekit/fileformats/dcd/include/molfile_plugin.h' 2024-07-11T15:30:10,528 adding 'moleculekit/fileformats/dcd/src/dcdplugin.c' 2024-07-11T15:30:10,625 adding 'moleculekit/fileformats/xtc/trr.c' 2024-07-11T15:30:10,636 adding 'moleculekit/fileformats/xtc/trr.pyx' 2024-07-11T15:30:10,638 adding 'moleculekit/fileformats/xtc/trrlib.pxd' 2024-07-11T15:30:10,639 adding 'moleculekit/fileformats/xtc/xdrlib.pxd' 2024-07-11T15:30:10,730 adding 'moleculekit/fileformats/xtc/xtc.cpp' 2024-07-11T15:30:10,739 adding 'moleculekit/fileformats/xtc/xtc.pyx' 2024-07-11T15:30:10,740 adding 'moleculekit/fileformats/xtc/xtclib.pxd' 2024-07-11T15:30:10,742 adding 'moleculekit/fileformats/xtc/include/trr_header.h' 2024-07-11T15:30:10,743 adding 'moleculekit/fileformats/xtc/include/xdr_seek.h' 2024-07-11T15:30:10,746 adding 'moleculekit/fileformats/xtc/include/xdrfile.h' 2024-07-11T15:30:10,747 adding 'moleculekit/fileformats/xtc/include/xdrfile_trr.h' 2024-07-11T15:30:10,749 adding 'moleculekit/fileformats/xtc/include/xdrfile_xtc.h' 2024-07-11T15:30:10,750 adding 'moleculekit/fileformats/xtc/include/xtc.h' 2024-07-11T15:30:10,752 adding 'moleculekit/fileformats/xtc/src/xdr_seek.c' 2024-07-11T15:30:10,758 adding 'moleculekit/fileformats/xtc/src/xdrfile.cpp' 2024-07-11T15:30:10,761 adding 'moleculekit/fileformats/xtc/src/xdrfile_trr.c' 2024-07-11T15:30:10,762 adding 'moleculekit/fileformats/xtc/src/xdrfile_xtc.cpp' 2024-07-11T15:30:10,764 adding 'moleculekit/fileformats/xtc/src/xtc.cpp' 2024-07-11T15:30:10,766 adding 'moleculekit/interactions/__init__.py' 2024-07-11T15:30:11,051 adding 'moleculekit/interactions/cationpi.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:11,321 adding 'moleculekit/interactions/hbonds.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:11,333 adding 'moleculekit/interactions/interactions.py' 2024-07-11T15:30:11,616 adding 'moleculekit/interactions/pipi.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:11,906 adding 'moleculekit/interactions/sigmahole.cpython-39-arm-linux-gnueabihf.so' 2024-07-11T15:30:12,009 adding 'moleculekit/interactions/cationpi/cationpi.cpp' 2024-07-11T15:30:12,018 adding 'moleculekit/interactions/cationpi/cationpi.pyx' 2024-07-11T15:30:12,111 adding 'moleculekit/interactions/hbonds/hbonds.cpp' 2024-07-11T15:30:12,120 adding 'moleculekit/interactions/hbonds/hbonds.pyx' 2024-07-11T15:30:12,214 adding 'moleculekit/interactions/pipi/pipi.cpp' 2024-07-11T15:30:12,224 adding 'moleculekit/interactions/pipi/pipi.pyx' 2024-07-11T15:30:12,317 adding 'moleculekit/interactions/sigmahole/sigmahole.cpp' 2024-07-11T15:30:12,326 adding 'moleculekit/interactions/sigmahole/sigmahole.pyx' 2024-07-11T15:30:12,415 adding 'moleculekit/occupancy_utils/occupancy_utils.cpp' 2024-07-11T15:30:12,423 adding 'moleculekit/occupancy_utils/occupancy_utils.pyx' 2024-07-11T15:30:12,425 adding 'moleculekit/pdbx/__init__.py' 2024-07-11T15:30:12,428 adding 'moleculekit/pdbx/reader/BinaryCifReader.py' 2024-07-11T15:30:12,431 adding 'moleculekit/pdbx/reader/PdbxContainers.py' 2024-07-11T15:30:12,434 adding 'moleculekit/pdbx/reader/PdbxParser.py' 2024-07-11T15:30:12,437 adding 'moleculekit/pdbx/reader/PdbxReader.py' 2024-07-11T15:30:12,438 adding 'moleculekit/pdbx/reader/__init__.py' 2024-07-11T15:30:12,440 adding 'moleculekit/pdbx/tests/PdbxReadWriteTests.py' 2024-07-11T15:30:12,442 adding 'moleculekit/pdbx/tests/PdbxReaderTests.py' 2024-07-11T15:30:12,443 adding 'moleculekit/pdbx/tests/PdbxWriterTests.py' 2024-07-11T15:30:12,444 adding 'moleculekit/pdbx/tests/__init__.py' 2024-07-11T15:30:12,446 adding 'moleculekit/pdbx/writer/PdbxWriter.py' 2024-07-11T15:30:12,447 adding 'moleculekit/pdbx/writer/__init__.py' 2024-07-11T15:30:12,449 adding 'moleculekit/ply/__init__.py' 2024-07-11T15:30:12,453 adding 'moleculekit/ply/lex.py' 2024-07-11T15:30:12,465 adding 'moleculekit/ply/yacc.py' 2024-07-11T15:30:12,468 adding 'moleculekit/projections/__init__.py' 2024-07-11T15:30:12,470 adding 'moleculekit/projections/metriccoordinate.py' 2024-07-11T15:30:12,473 adding 'moleculekit/projections/metricdihedral.py' 2024-07-11T15:30:12,477 adding 'moleculekit/projections/metricdistance.py' 2024-07-11T15:30:12,479 adding 'moleculekit/projections/metricfluctuation.py' 2024-07-11T15:30:12,481 adding 'moleculekit/projections/metricgyration.py' 2024-07-11T15:30:12,485 adding 'moleculekit/projections/metricplumed2.py' 2024-07-11T15:30:12,487 adding 'moleculekit/projections/metricrmsd.py' 2024-07-11T15:30:12,489 adding 'moleculekit/projections/metricsasa.py' 2024-07-11T15:30:12,491 adding 'moleculekit/projections/metricsecondarystructure.py' 2024-07-11T15:30:12,493 adding 'moleculekit/projections/metricshell.py' 2024-07-11T15:30:12,494 adding 'moleculekit/projections/metricsphericalcoordinate.py' 2024-07-11T15:30:12,496 adding 'moleculekit/projections/metrictmscore.py' 2024-07-11T15:30:12,497 adding 'moleculekit/projections/projection.py' 2024-07-11T15:30:12,499 adding 'moleculekit/projections/util.py' 2024-07-11T15:30:12,501 adding 'moleculekit/share/ALA.cif' 2024-07-11T15:30:12,502 adding 'moleculekit/share/backbone.cif' 2024-07-11T15:30:13,805 adding 'moleculekit/share/opm_sequences.json' 2024-07-11T15:30:13,890 adding 'moleculekit/share/atomselect/atomselect.json' 2024-07-11T15:30:13,895 adding 'moleculekit/share/pdb2pqr/residues/.gitkeep' 2024-07-11T15:30:13,897 adding 'moleculekit/share/pdb2pqr/residues/004.dat' 2024-07-11T15:30:13,898 adding 'moleculekit/share/pdb2pqr/residues/004.xml' 2024-07-11T15:30:13,899 adding 'moleculekit/share/pdb2pqr/residues/03Y.dat' 2024-07-11T15:30:13,901 adding 'moleculekit/share/pdb2pqr/residues/03Y.xml' 2024-07-11T15:30:13,902 adding 'moleculekit/share/pdb2pqr/residues/0A1.dat' 2024-07-11T15:30:13,903 adding 'moleculekit/share/pdb2pqr/residues/0A1.xml' 2024-07-11T15:30:13,904 adding 'moleculekit/share/pdb2pqr/residues/0AF.dat' 2024-07-11T15:30:13,906 adding 'moleculekit/share/pdb2pqr/residues/0AF.xml' 2024-07-11T15:30:13,907 adding 'moleculekit/share/pdb2pqr/residues/0BN.dat' 2024-07-11T15:30:13,908 adding 'moleculekit/share/pdb2pqr/residues/0BN.xml' 2024-07-11T15:30:13,910 adding 'moleculekit/share/pdb2pqr/residues/1MH.dat' 2024-07-11T15:30:13,911 adding 'moleculekit/share/pdb2pqr/residues/1MH.xml' 2024-07-11T15:30:13,912 adding 'moleculekit/share/pdb2pqr/residues/2AS.dat' 2024-07-11T15:30:13,913 adding 'moleculekit/share/pdb2pqr/residues/2AS.xml' 2024-07-11T15:30:13,915 adding 'moleculekit/share/pdb2pqr/residues/2GX.dat' 2024-07-11T15:30:13,916 adding 'moleculekit/share/pdb2pqr/residues/2GX.xml' 2024-07-11T15:30:13,918 adding 'moleculekit/share/pdb2pqr/residues/2ML.dat' 2024-07-11T15:30:13,919 adding 'moleculekit/share/pdb2pqr/residues/2ML.xml' 2024-07-11T15:30:13,920 adding 'moleculekit/share/pdb2pqr/residues/2MR.dat' 2024-07-11T15:30:13,922 adding 'moleculekit/share/pdb2pqr/residues/2MR.xml' 2024-07-11T15:30:13,924 adding 'moleculekit/share/pdb2pqr/residues/4IN.dat' 2024-07-11T15:30:13,925 adding 'moleculekit/share/pdb2pqr/residues/4IN.xml' 2024-07-11T15:30:13,927 adding 'moleculekit/share/pdb2pqr/residues/4PH.dat' 2024-07-11T15:30:13,929 adding 'moleculekit/share/pdb2pqr/residues/4PH.xml' 2024-07-11T15:30:13,930 adding 'moleculekit/share/pdb2pqr/residues/4PQ.dat' 2024-07-11T15:30:13,932 adding 'moleculekit/share/pdb2pqr/residues/4PQ.xml' 2024-07-11T15:30:13,933 adding 'moleculekit/share/pdb2pqr/residues/5JP.dat' 2024-07-11T15:30:13,935 adding 'moleculekit/share/pdb2pqr/residues/5JP.xml' 2024-07-11T15:30:13,936 adding 'moleculekit/share/pdb2pqr/residues/AA4.dat' 2024-07-11T15:30:13,938 adding 'moleculekit/share/pdb2pqr/residues/AA4.xml' 2024-07-11T15:30:13,939 adding 'moleculekit/share/pdb2pqr/residues/ABA.dat' 2024-07-11T15:30:13,941 adding 'moleculekit/share/pdb2pqr/residues/ABA.xml' 2024-07-11T15:30:13,943 adding 'moleculekit/share/pdb2pqr/residues/AHP.dat' 2024-07-11T15:30:13,944 adding 'moleculekit/share/pdb2pqr/residues/AHP.xml' 2024-07-11T15:30:13,946 adding 'moleculekit/share/pdb2pqr/residues/ALC.dat' 2024-07-11T15:30:13,947 adding 'moleculekit/share/pdb2pqr/residues/ALC.xml' 2024-07-11T15:30:13,949 adding 'moleculekit/share/pdb2pqr/residues/ALN.dat' 2024-07-11T15:30:13,951 adding 'moleculekit/share/pdb2pqr/residues/ALN.xml' 2024-07-11T15:30:13,952 adding 'moleculekit/share/pdb2pqr/residues/ALY.dat' 2024-07-11T15:30:13,954 adding 'moleculekit/share/pdb2pqr/residues/ALY.xml' 2024-07-11T15:30:13,956 adding 'moleculekit/share/pdb2pqr/residues/APD.dat' 2024-07-11T15:30:13,957 adding 'moleculekit/share/pdb2pqr/residues/APD.xml' 2024-07-11T15:30:13,959 adding 'moleculekit/share/pdb2pqr/residues/BB8.dat' 2024-07-11T15:30:13,960 adding 'moleculekit/share/pdb2pqr/residues/BB8.xml' 2024-07-11T15:30:13,962 adding 'moleculekit/share/pdb2pqr/residues/BCS.dat' 2024-07-11T15:30:13,963 adding 'moleculekit/share/pdb2pqr/residues/BCS.xml' 2024-07-11T15:30:13,965 adding 'moleculekit/share/pdb2pqr/residues/BTK.dat' 2024-07-11T15:30:13,967 adding 'moleculekit/share/pdb2pqr/residues/BTK.xml' 2024-07-11T15:30:13,968 adding 'moleculekit/share/pdb2pqr/residues/CCS.dat' 2024-07-11T15:30:13,970 adding 'moleculekit/share/pdb2pqr/residues/CCS.xml' 2024-07-11T15:30:13,971 adding 'moleculekit/share/pdb2pqr/residues/CGU.dat' 2024-07-11T15:30:13,973 adding 'moleculekit/share/pdb2pqr/residues/CGU.xml' 2024-07-11T15:30:13,975 adding 'moleculekit/share/pdb2pqr/residues/CSA.dat' 2024-07-11T15:30:13,976 adding 'moleculekit/share/pdb2pqr/residues/CSA.xml' 2024-07-11T15:30:13,978 adding 'moleculekit/share/pdb2pqr/residues/CSO.dat' 2024-07-11T15:30:13,979 adding 'moleculekit/share/pdb2pqr/residues/CSO.xml' 2024-07-11T15:30:13,981 adding 'moleculekit/share/pdb2pqr/residues/CSP.dat' 2024-07-11T15:30:13,983 adding 'moleculekit/share/pdb2pqr/residues/CSP.xml' 2024-07-11T15:30:13,984 adding 'moleculekit/share/pdb2pqr/residues/CSS.dat' 2024-07-11T15:30:13,986 adding 'moleculekit/share/pdb2pqr/residues/CSS.xml' 2024-07-11T15:30:13,987 adding 'moleculekit/share/pdb2pqr/residues/D4P.dat' 2024-07-11T15:30:13,989 adding 'moleculekit/share/pdb2pqr/residues/D4P.xml' 2024-07-11T15:30:13,990 adding 'moleculekit/share/pdb2pqr/residues/DA2.dat' 2024-07-11T15:30:13,992 adding 'moleculekit/share/pdb2pqr/residues/DA2.xml' 2024-07-11T15:30:13,993 adding 'moleculekit/share/pdb2pqr/residues/DAB.dat' 2024-07-11T15:30:13,995 adding 'moleculekit/share/pdb2pqr/residues/DAB.xml' 2024-07-11T15:30:13,997 adding 'moleculekit/share/pdb2pqr/residues/DAH.dat' 2024-07-11T15:30:13,998 adding 'moleculekit/share/pdb2pqr/residues/DAH.xml' 2024-07-11T15:30:14,000 adding 'moleculekit/share/pdb2pqr/residues/DPP.dat' 2024-07-11T15:30:14,001 adding 'moleculekit/share/pdb2pqr/residues/DPP.xml' 2024-07-11T15:30:14,002 adding 'moleculekit/share/pdb2pqr/residues/ESC.dat' 2024-07-11T15:30:14,004 adding 'moleculekit/share/pdb2pqr/residues/ESC.xml' 2024-07-11T15:30:14,006 adding 'moleculekit/share/pdb2pqr/residues/FGL.dat' 2024-07-11T15:30:14,007 adding 'moleculekit/share/pdb2pqr/residues/FGL.xml' 2024-07-11T15:30:14,009 adding 'moleculekit/share/pdb2pqr/residues/GHG.dat' 2024-07-11T15:30:14,010 adding 'moleculekit/share/pdb2pqr/residues/GHG.xml' 2024-07-11T15:30:14,012 adding 'moleculekit/share/pdb2pqr/residues/GME.dat' 2024-07-11T15:30:14,013 adding 'moleculekit/share/pdb2pqr/residues/GME.xml' 2024-07-11T15:30:14,015 adding 'moleculekit/share/pdb2pqr/residues/GNC.dat' 2024-07-11T15:30:14,017 adding 'moleculekit/share/pdb2pqr/residues/GNC.xml' 2024-07-11T15:30:14,018 adding 'moleculekit/share/pdb2pqr/residues/HHK.dat' 2024-07-11T15:30:14,020 adding 'moleculekit/share/pdb2pqr/residues/HHK.xml' 2024-07-11T15:30:14,021 adding 'moleculekit/share/pdb2pqr/residues/HLU.dat' 2024-07-11T15:30:14,023 adding 'moleculekit/share/pdb2pqr/residues/HLU.xml' 2024-07-11T15:30:14,025 adding 'moleculekit/share/pdb2pqr/residues/HLX.dat' 2024-07-11T15:30:14,026 adding 'moleculekit/share/pdb2pqr/residues/HLX.xml' 2024-07-11T15:30:14,028 adding 'moleculekit/share/pdb2pqr/residues/HOX.dat' 2024-07-11T15:30:14,029 adding 'moleculekit/share/pdb2pqr/residues/HOX.xml' 2024-07-11T15:30:14,031 adding 'moleculekit/share/pdb2pqr/residues/HPE.dat' 2024-07-11T15:30:14,033 adding 'moleculekit/share/pdb2pqr/residues/HPE.xml' 2024-07-11T15:30:14,034 adding 'moleculekit/share/pdb2pqr/residues/HQA.dat' 2024-07-11T15:30:14,036 adding 'moleculekit/share/pdb2pqr/residues/HQA.xml' 2024-07-11T15:30:14,037 adding 'moleculekit/share/pdb2pqr/residues/HTR.dat' 2024-07-11T15:30:14,039 adding 'moleculekit/share/pdb2pqr/residues/HTR.xml' 2024-07-11T15:30:14,041 adding 'moleculekit/share/pdb2pqr/residues/HYP.dat' 2024-07-11T15:30:14,042 adding 'moleculekit/share/pdb2pqr/residues/HYP.xml' 2024-07-11T15:30:14,044 adding 'moleculekit/share/pdb2pqr/residues/I2M.dat' 2024-07-11T15:30:14,045 adding 'moleculekit/share/pdb2pqr/residues/I2M.xml' 2024-07-11T15:30:14,047 adding 'moleculekit/share/pdb2pqr/residues/IGL.dat' 2024-07-11T15:30:14,049 adding 'moleculekit/share/pdb2pqr/residues/IGL.xml' 2024-07-11T15:30:14,050 adding 'moleculekit/share/pdb2pqr/residues/IIL.dat' 2024-07-11T15:30:14,052 adding 'moleculekit/share/pdb2pqr/residues/IIL.xml' 2024-07-11T15:30:14,054 adding 'moleculekit/share/pdb2pqr/residues/IML.dat' 2024-07-11T15:30:14,055 adding 'moleculekit/share/pdb2pqr/residues/IML.xml' 2024-07-11T15:30:14,057 adding 'moleculekit/share/pdb2pqr/residues/KYN.dat' 2024-07-11T15:30:14,058 adding 'moleculekit/share/pdb2pqr/residues/KYN.xml' 2024-07-11T15:30:14,060 adding 'moleculekit/share/pdb2pqr/residues/LME.dat' 2024-07-11T15:30:14,062 adding 'moleculekit/share/pdb2pqr/residues/LME.xml' 2024-07-11T15:30:14,063 adding 'moleculekit/share/pdb2pqr/residues/LMQ.dat' 2024-07-11T15:30:14,065 adding 'moleculekit/share/pdb2pqr/residues/LMQ.xml' 2024-07-11T15:30:14,067 adding 'moleculekit/share/pdb2pqr/residues/LYZ.dat' 2024-07-11T15:30:14,068 adding 'moleculekit/share/pdb2pqr/residues/LYZ.xml' 2024-07-11T15:30:14,070 adding 'moleculekit/share/pdb2pqr/residues/M3L.dat' 2024-07-11T15:30:14,071 adding 'moleculekit/share/pdb2pqr/residues/M3L.xml' 2024-07-11T15:30:14,073 adding 'moleculekit/share/pdb2pqr/residues/ME0.dat' 2024-07-11T15:30:14,074 adding 'moleculekit/share/pdb2pqr/residues/ME0.xml' 2024-07-11T15:30:14,076 adding 'moleculekit/share/pdb2pqr/residues/MEA.dat' 2024-07-11T15:30:14,078 adding 'moleculekit/share/pdb2pqr/residues/MEA.xml' 2024-07-11T15:30:14,079 adding 'moleculekit/share/pdb2pqr/residues/MEN.dat' 2024-07-11T15:30:14,081 adding 'moleculekit/share/pdb2pqr/residues/MEN.xml' 2024-07-11T15:30:14,082 adding 'moleculekit/share/pdb2pqr/residues/MEQ.dat' 2024-07-11T15:30:14,084 adding 'moleculekit/share/pdb2pqr/residues/MEQ.xml' 2024-07-11T15:30:14,085 adding 'moleculekit/share/pdb2pqr/residues/MLE.dat' 2024-07-11T15:30:14,087 adding 'moleculekit/share/pdb2pqr/residues/MLE.xml' 2024-07-11T15:30:14,089 adding 'moleculekit/share/pdb2pqr/residues/MLY.dat' 2024-07-11T15:30:14,090 adding 'moleculekit/share/pdb2pqr/residues/MLY.xml' 2024-07-11T15:30:14,092 adding 'moleculekit/share/pdb2pqr/residues/MLZ.dat' 2024-07-11T15:30:14,094 adding 'moleculekit/share/pdb2pqr/residues/MLZ.xml' 2024-07-11T15:30:14,095 adding 'moleculekit/share/pdb2pqr/residues/MME.dat' 2024-07-11T15:30:14,097 adding 'moleculekit/share/pdb2pqr/residues/MME.xml' 2024-07-11T15:30:14,098 adding 'moleculekit/share/pdb2pqr/residues/MMO.dat' 2024-07-11T15:30:14,100 adding 'moleculekit/share/pdb2pqr/residues/MMO.xml' 2024-07-11T15:30:14,101 adding 'moleculekit/share/pdb2pqr/residues/MVA.dat' 2024-07-11T15:30:14,103 adding 'moleculekit/share/pdb2pqr/residues/MVA.xml' 2024-07-11T15:30:14,105 adding 'moleculekit/share/pdb2pqr/residues/NAL.dat' 2024-07-11T15:30:14,106 adding 'moleculekit/share/pdb2pqr/residues/NAL.xml' 2024-07-11T15:30:14,108 adding 'moleculekit/share/pdb2pqr/residues/NCY.dat' 2024-07-11T15:30:14,109 adding 'moleculekit/share/pdb2pqr/residues/NCY.xml' 2024-07-11T15:30:14,111 adding 'moleculekit/share/pdb2pqr/residues/NLE.dat' 2024-07-11T15:30:14,112 adding 'moleculekit/share/pdb2pqr/residues/NLE.xml' 2024-07-11T15:30:14,114 adding 'moleculekit/share/pdb2pqr/residues/NVA.dat' 2024-07-11T15:30:14,115 adding 'moleculekit/share/pdb2pqr/residues/NVA.xml' 2024-07-11T15:30:14,117 adding 'moleculekit/share/pdb2pqr/residues/NZC.dat' 2024-07-11T15:30:14,118 adding 'moleculekit/share/pdb2pqr/residues/NZC.xml' 2024-07-11T15:30:14,120 adding 'moleculekit/share/pdb2pqr/residues/OCY.dat' 2024-07-11T15:30:14,122 adding 'moleculekit/share/pdb2pqr/residues/OCY.xml' 2024-07-11T15:30:14,123 adding 'moleculekit/share/pdb2pqr/residues/OMX.dat' 2024-07-11T15:30:14,125 adding 'moleculekit/share/pdb2pqr/residues/OMX.xml' 2024-07-11T15:30:14,126 adding 'moleculekit/share/pdb2pqr/residues/ONL.dat' 2024-07-11T15:30:14,128 adding 'moleculekit/share/pdb2pqr/residues/ONL.xml' 2024-07-11T15:30:14,129 adding 'moleculekit/share/pdb2pqr/residues/ORM.dat' 2024-07-11T15:30:14,131 adding 'moleculekit/share/pdb2pqr/residues/ORM.xml' 2024-07-11T15:30:14,133 adding 'moleculekit/share/pdb2pqr/residues/P1L.dat' 2024-07-11T15:30:14,135 adding 'moleculekit/share/pdb2pqr/residues/P1L.xml' 2024-07-11T15:30:14,136 adding 'moleculekit/share/pdb2pqr/residues/PCA.dat' 2024-07-11T15:30:14,138 adding 'moleculekit/share/pdb2pqr/residues/PCA.xml' 2024-07-11T15:30:14,139 adding 'moleculekit/share/pdb2pqr/residues/PRK.dat' 2024-07-11T15:30:14,141 adding 'moleculekit/share/pdb2pqr/residues/PRK.xml' 2024-07-11T15:30:14,142 adding 'moleculekit/share/pdb2pqr/residues/PTR.dat' 2024-07-11T15:30:14,144 adding 'moleculekit/share/pdb2pqr/residues/PTR.xml' 2024-07-11T15:30:14,145 adding 'moleculekit/share/pdb2pqr/residues/SEP.dat' 2024-07-11T15:30:14,147 adding 'moleculekit/share/pdb2pqr/residues/SEP.xml' 2024-07-11T15:30:14,149 adding 'moleculekit/share/pdb2pqr/residues/TPO.dat' 2024-07-11T15:30:14,150 adding 'moleculekit/share/pdb2pqr/residues/TPO.xml' 2024-07-11T15:30:14,152 adding 'moleculekit/share/pdb2pqr/residues/TRO.dat' 2024-07-11T15:30:14,153 adding 'moleculekit/share/pdb2pqr/residues/TRO.xml' 2024-07-11T15:30:14,155 adding 'moleculekit/share/pdb2pqr/residues/TY2.dat' 2024-07-11T15:30:14,157 adding 'moleculekit/share/pdb2pqr/residues/TY2.xml' 2024-07-11T15:30:14,158 adding 'moleculekit/share/pdb2pqr/residues/TYQ.dat' 2024-07-11T15:30:14,160 adding 'moleculekit/share/pdb2pqr/residues/TYQ.xml' 2024-07-11T15:30:14,161 adding 'moleculekit/share/pdb2pqr/residues/YCM.dat' 2024-07-11T15:30:14,163 adding 'moleculekit/share/pdb2pqr/residues/YCM.xml' 2024-07-11T15:30:14,165 adding 'moleculekit/share/pdb2pqr/residues/YNM.dat' 2024-07-11T15:30:14,166 adding 'moleculekit/share/pdb2pqr/residues/YNM.xml' 2024-07-11T15:30:14,168 adding 'moleculekit/smallmol/__init__.py' 2024-07-11T15:30:14,174 adding 'moleculekit/smallmol/smallmol.py' 2024-07-11T15:30:14,176 adding 'moleculekit/smallmol/smallmolcdp.py' 2024-07-11T15:30:14,179 adding 'moleculekit/smallmol/smallmollib.py' 2024-07-11T15:30:14,181 adding 'moleculekit/smallmol/test_smallmol.py' 2024-07-11T15:30:14,183 adding 'moleculekit/smallmol/test_smallmollib.py' 2024-07-11T15:30:14,186 adding 'moleculekit/smallmol/util.py' 2024-07-11T15:30:14,188 adding 'moleculekit/smallmol/tools/__init__.py' 2024-07-11T15:30:14,190 adding 'moleculekit/smallmol/tools/clustering.py' 2024-07-11T15:30:14,192 adding 'moleculekit/smallmol/tools/restrainedembed.py' 2024-07-11T15:30:14,194 adding 'moleculekit/smallmol/tools/test_tools.py' 2024-07-11T15:30:14,285 adding 'moleculekit/tmalign/tmalign_util.cpp' 2024-07-11T15:30:14,295 adding 'moleculekit/tmalign/tmalign_util.pyx' 2024-07-11T15:30:14,296 adding 'moleculekit/tmalign/tmalignlib.pxd' 2024-07-11T15:30:14,298 adding 'moleculekit/tmalign/include/TMAlign.h' 2024-07-11T15:30:14,316 adding 'moleculekit/tmalign/src/TMAlign.cpp' 2024-07-11T15:30:14,319 adding 'moleculekit/tools/__init__.py' 2024-07-11T15:30:14,322 adding 'moleculekit/tools/atomtyper.py' 2024-07-11T15:30:14,324 adding 'moleculekit/tools/autosegment.py' 2024-07-11T15:30:14,327 adding 'moleculekit/tools/crystalpacking.py' 2024-07-11T15:30:14,331 adding 'moleculekit/tools/detect.py' 2024-07-11T15:30:14,333 adding 'moleculekit/tools/docking.py' 2024-07-11T15:30:14,335 adding 'moleculekit/tools/graphalignment.py' 2024-07-11T15:30:14,337 adding 'moleculekit/tools/hhblitsprofile.py' 2024-07-11T15:30:14,339 adding 'moleculekit/tools/modelling.py' 2024-07-11T15:30:14,341 adding 'moleculekit/tools/moleculechecks.py' 2024-07-11T15:30:14,348 adding 'moleculekit/tools/preparation.py' 2024-07-11T15:30:14,351 adding 'moleculekit/tools/preparation_customres.py' 2024-07-11T15:30:14,353 adding 'moleculekit/tools/sequencestructuralalignment.py' 2024-07-11T15:30:14,356 adding 'moleculekit/tools/voxeldescriptors.py' 2024-07-11T15:30:14,359 adding 'moleculekit/tools/obabel_tools/__init__.py' 2024-07-11T15:30:14,360 adding 'moleculekit/tools/obabel_tools/obabel_cli.py' 2024-07-11T15:30:14,454 adding 'moleculekit/wrapping/wrapping.cpp' 2024-07-11T15:30:14,463 adding 'moleculekit/wrapping/wrapping.pyx' 2024-07-11T15:30:14,466 adding 'moleculekit-1.9.2.dist-info/LICENSE' 2024-07-11T15:30:14,468 adding 'moleculekit-1.9.2.dist-info/METADATA' 2024-07-11T15:30:14,469 adding 'moleculekit-1.9.2.dist-info/WHEEL' 2024-07-11T15:30:14,470 adding 'moleculekit-1.9.2.dist-info/top_level.txt' 2024-07-11T15:30:14,476 adding 'moleculekit-1.9.2.dist-info/RECORD' 2024-07-11T15:30:14,641 removing build/bdist.linux-armv7l/wheel 2024-07-11T15:30:14,924 Building wheel for moleculekit (pyproject.toml): finished with status 'done' 2024-07-11T15:30:15,247 Created wheel for moleculekit: filename=moleculekit-1.9.2-cp39-cp39-linux_armv7l.whl size=14933078 sha256=e5f605262f03ab78ddfad81b85f6a8d5607bc553bf969bd724a5739cab3389fe 2024-07-11T15:30:15,248 Stored in directory: /tmp/pip-ephem-wheel-cache-etng8754/wheels/1f/e2/c1/21c6b8ca09f9e8a727e7ca1c0a45ecebecbb0efe278a81ae4d 2024-07-11T15:30:15,278 Successfully built moleculekit 2024-07-11T15:30:15,668 Removed build tracker: '/tmp/pip-build-tracker-3t8rbhs_'