2024-03-01T15:32:08,317 Created temporary directory: /tmp/pip-build-tracker-987ndyyp 2024-03-01T15:32:08,318 Initialized build tracking at /tmp/pip-build-tracker-987ndyyp 2024-03-01T15:32:08,319 Created build tracker: /tmp/pip-build-tracker-987ndyyp 2024-03-01T15:32:08,319 Entered build tracker: /tmp/pip-build-tracker-987ndyyp 2024-03-01T15:32:08,320 Created temporary directory: /tmp/pip-wheel-a5d91zot 2024-03-01T15:32:08,323 Created temporary directory: /tmp/pip-ephem-wheel-cache-thrlml6m 2024-03-01T15:32:08,345 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-03-01T15:32:08,348 2 location(s) to search for versions of moleculekit: 2024-03-01T15:32:08,348 * https://pypi.org/simple/moleculekit/ 2024-03-01T15:32:08,348 * https://www.piwheels.org/simple/moleculekit/ 2024-03-01T15:32:08,349 Fetching project page and analyzing links: https://pypi.org/simple/moleculekit/ 2024-03-01T15:32:08,350 Getting page https://pypi.org/simple/moleculekit/ 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https://www.piwheels.org/simple/moleculekit/moleculekit-0.1.4-py3-none-any.whl#sha256=5784491ff294e145a00311f8239aaa0b92c12605db0508ee3e10469b80d4cadd (from https://www.piwheels.org/simple/moleculekit/) 2024-03-01T15:32:09,789 Skipping link: not a file: https://www.piwheels.org/simple/moleculekit/ 2024-03-01T15:32:09,790 Skipping link: not a file: https://pypi.org/simple/moleculekit/ 2024-03-01T15:32:09,829 Given no hashes to check 1 links for project 'moleculekit': discarding no candidates 2024-03-01T15:32:09,848 Collecting moleculekit==1.8.26 2024-03-01T15:32:09,850 Created temporary directory: /tmp/pip-unpack-vazb183z 2024-03-01T15:32:10,085 Downloading moleculekit-1.8.26.tar.gz (6.8 MB) 2024-03-01T15:32:14,166 Added moleculekit==1.8.26 from https://files.pythonhosted.org/packages/f2/d0/2c92a559a74562405f0628bc7880908412790a87c494c9b73e3962c7baa9/moleculekit-1.8.26.tar.gz to build tracker '/tmp/pip-build-tracker-987ndyyp' 2024-03-01T15:32:14,174 Created temporary directory: /tmp/pip-build-env-56tjx_ps 2024-03-01T15:32:14,180 Installing build dependencies: started 2024-03-01T15:32:14,181 Running command pip subprocess to install build dependencies 2024-03-01T15:32:15,386 Using pip 23.3.1 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11) 2024-03-01T15:32:15,915 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-03-01T15:32:17,905 Collecting setuptools 2024-03-01T15:32:20,575 Using cached https://www.piwheels.org/simple/setuptools/setuptools-69.1.1-py3-none-any.whl (819 kB) 2024-03-01T15:32:21,266 Link requires a different Python (3.11.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/3a/be/650f9c091ef71cb01d735775d554e068752d3ff63d7943b26316dc401749/numpy-1.21.2.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11) 2024-03-01T15:32:21,271 Link requires a different Python (3.11.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/5f/d6/ad58ded26556eaeaa8c971e08b6466f17c4ac4d786cd3d800e26ce59cc01/numpy-1.21.3.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11) 2024-03-01T15:32:21,274 Link requires a different Python (3.11.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/fb/48/b0708ebd7718a8933f0d3937513ef8ef2f4f04529f1f66ca86d873043921/numpy-1.21.4.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11) 2024-03-01T15:32:21,278 Link requires a different Python (3.11.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/c2/a8/a924a09492bdfee8c2ec3094d0a13f2799800b4fdc9c890738aeeb12c72e/numpy-1.21.5.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11) 2024-03-01T15:32:21,282 Link requires a different Python (3.11.2 not in: '>=3.7,<3.11'): https://files.pythonhosted.org/packages/45/b7/de7b8e67f2232c26af57c205aaad29fe17754f793404f59c8a730c7a191a/numpy-1.21.6.zip (from https://pypi.org/simple/numpy/) (requires-python:>=3.7,<3.11) 2024-03-01T15:32:21,716 Collecting numpy>=1.18.5 2024-03-01T15:32:22,734 Using cached https://www.piwheels.org/simple/numpy/numpy-1.26.4-cp311-cp311-linux_armv7l.whl (5.6 MB) 2024-03-01T15:32:24,203 Collecting Cython>=0.29.21 2024-03-01T15:32:26,910 WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProtocolError('Connection aborted.', RemoteDisconnected('Remote end closed connection without response'))': /simple/cython/Cython-3.0.8-cp311-cp311-linux_armv7l.whl 2024-03-01T15:32:27,274 Using cached https://www.piwheels.org/simple/cython/Cython-3.0.8-cp311-cp311-linux_armv7l.whl (11.7 MB) 2024-03-01T15:32:29,127 Collecting toml 2024-03-01T15:32:29,149 Using cached https://www.piwheels.org/simple/toml/toml-0.10.2-py2.py3-none-any.whl (16 kB) 2024-03-01T15:32:29,266 Collecting versioneer==0.28 (from versioneer[toml]==0.28) 2024-03-01T15:32:29,303 Using cached https://www.piwheels.org/simple/versioneer/versioneer-0.28-py3-none-any.whl (45 kB) 2024-03-01T15:32:31,902 Installing collected packages: versioneer, toml, setuptools, numpy, Cython 2024-03-01T15:32:31,933 Creating /tmp/pip-build-env-56tjx_ps/overlay/local/bin 2024-03-01T15:32:31,935 changing mode of /tmp/pip-build-env-56tjx_ps/overlay/local/bin/versioneer to 755 2024-03-01T15:32:42,580 changing mode of /tmp/pip-build-env-56tjx_ps/overlay/local/bin/f2py to 755 2024-03-01T15:32:46,133 changing mode of /tmp/pip-build-env-56tjx_ps/overlay/local/bin/cygdb to 755 2024-03-01T15:32:46,135 changing mode of /tmp/pip-build-env-56tjx_ps/overlay/local/bin/cython to 755 2024-03-01T15:32:46,137 changing mode of /tmp/pip-build-env-56tjx_ps/overlay/local/bin/cythonize to 755 2024-03-01T15:32:46,183 Successfully installed Cython-3.0.8 numpy-1.26.4 setuptools-69.1.1 toml-0.10.2 versioneer-0.28 2024-03-01T15:32:46,517 [notice] A new release of pip is available: 23.3.1 -> 24.0 2024-03-01T15:32:46,517 [notice] To update, run: python3 -m pip install --upgrade pip 2024-03-01T15:32:46,966 Installing build dependencies: finished with status 'done' 2024-03-01T15:32:46,970 Getting requirements to build wheel: started 2024-03-01T15:32:46,971 Running command Getting requirements to build wheel 2024-03-01T15:33:24,071 warning: moleculekit/wrapping/wrapping.pyx:47:4: Unreachable code 2024-03-01T15:33:32,150 Compiling moleculekit/interactions/hbonds/hbonds.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,150 Compiling moleculekit/interactions/pipi/pipi.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,151 Compiling moleculekit/interactions/cationpi/cationpi.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,152 Compiling moleculekit/interactions/sigmahole/sigmahole.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,152 Compiling moleculekit/wrapping/wrapping.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,153 Compiling moleculekit/bondguesser_utils/bondguesser_utils.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,153 Compiling moleculekit/atomselect_utils/atomselect_utils.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,154 Compiling moleculekit/distance_utils/distance_utils.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,154 Compiling moleculekit/occupancy_utils/occupancy_utils.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,155 Compiling moleculekit/cython_utils/cython_utils.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,155 Compiling moleculekit/fileformats/xtc/xtc.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libc/string.pxd. 2024-03-01T15:33:32,156 Compiling moleculekit/fileformats/xtc/trr.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libc/string.pxd. 2024-03-01T15:33:32,156 Compiling moleculekit/fileformats/dcd/dcd.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libc/string.pxd. 2024-03-01T15:33:32,157 Compiling moleculekit/fileformats/binpos/binpos.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libc/string.pxd. 2024-03-01T15:33:32,157 Compiling moleculekit/tmalign/tmalign_util.pyx because it depends on /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/Cython/Includes/libcpp/vector.pxd. 2024-03-01T15:33:32,158 [ 1/15] Cythonizing moleculekit/atomselect_utils/atomselect_utils.pyx 2024-03-01T15:33:32,159 [ 2/15] Cythonizing moleculekit/bondguesser_utils/bondguesser_utils.pyx 2024-03-01T15:33:32,159 [ 3/15] Cythonizing moleculekit/cython_utils/cython_utils.pyx 2024-03-01T15:33:32,160 [ 4/15] Cythonizing moleculekit/distance_utils/distance_utils.pyx 2024-03-01T15:33:32,160 [ 5/15] Cythonizing moleculekit/fileformats/dcd/dcd.pyx 2024-03-01T15:33:32,161 [ 6/15] Cythonizing moleculekit/interactions/cationpi/cationpi.pyx 2024-03-01T15:33:32,161 [ 7/15] Cythonizing moleculekit/interactions/hbonds/hbonds.pyx 2024-03-01T15:33:32,161 [ 8/15] Cythonizing moleculekit/interactions/pipi/pipi.pyx 2024-03-01T15:33:32,162 [ 9/15] Cythonizing moleculekit/interactions/sigmahole/sigmahole.pyx 2024-03-01T15:33:32,162 [10/15] Cythonizing moleculekit/occupancy_utils/occupancy_utils.pyx 2024-03-01T15:33:32,163 [11/15] Cythonizing moleculekit/tmalign/tmalign_util.pyx 2024-03-01T15:33:32,163 [12/15] Cythonizing moleculekit/wrapping/wrapping.pyx 2024-03-01T15:33:32,164 [13/15] Cythonizing moleculekit/fileformats/binpos/binpos.pyx 2024-03-01T15:33:32,164 [14/15] Cythonizing moleculekit/fileformats/xtc/trr.pyx 2024-03-01T15:33:32,165 [15/15] Cythonizing moleculekit/fileformats/xtc/xtc.pyx 2024-03-01T15:33:32,422 running egg_info 2024-03-01T15:33:32,428 writing moleculekit.egg-info/PKG-INFO 2024-03-01T15:33:32,431 writing dependency_links to 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be automatically included in the manifest: the path must be relative 2024-03-01T15:33:32,499 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:32,499 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:32,500 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:32,500 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:32,501 reading manifest file 'moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:32,524 reading manifest template 'MANIFEST.in' 2024-03-01T15:33:32,772 no previously-included directories found matching 'moleculekit/test-data' 2024-03-01T15:33:32,773 no previously-included directories found matching 'moleculekit/tests' 2024-03-01T15:33:32,774 no previously-included directories found matching 'package' 2024-03-01T15:33:32,775 adding license file 'LICENSE' 2024-03-01T15:33:32,790 writing manifest file 'moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:34,245 Getting requirements to build wheel: finished with status 'done' 2024-03-01T15:33:34,259 Installing backend dependencies: started 2024-03-01T15:33:34,260 Running command pip subprocess to install backend dependencies 2024-03-01T15:33:35,494 Using pip 23.3.1 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11) 2024-03-01T15:33:36,065 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-03-01T15:33:36,567 Collecting wheel 2024-03-01T15:33:36,583 Using cached https://www.piwheels.org/simple/wheel/wheel-0.42.0-py3-none-any.whl (65 kB) 2024-03-01T15:33:39,060 Installing collected packages: wheel 2024-03-01T15:33:39,292 Creating /tmp/pip-build-env-56tjx_ps/normal/local/bin 2024-03-01T15:33:39,295 changing mode of /tmp/pip-build-env-56tjx_ps/normal/local/bin/wheel to 755 2024-03-01T15:33:39,310 Successfully installed wheel-0.42.0 2024-03-01T15:33:39,653 [notice] A new release of pip is available: 23.3.1 -> 24.0 2024-03-01T15:33:39,654 [notice] To update, run: python3 -m pip install --upgrade pip 2024-03-01T15:33:39,887 Installing backend dependencies: finished with status 'done' 2024-03-01T15:33:39,889 Created temporary directory: /tmp/pip-modern-metadata-j_x0psmw 2024-03-01T15:33:39,891 Preparing metadata (pyproject.toml): started 2024-03-01T15:33:39,893 Running command Preparing metadata (pyproject.toml) 2024-03-01T15:33:42,730 running dist_info 2024-03-01T15:33:42,732 creating /tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info 2024-03-01T15:33:42,737 writing /tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/PKG-INFO 2024-03-01T15:33:42,741 writing dependency_links to /tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/dependency_links.txt 2024-03-01T15:33:42,743 writing requirements to /tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/requires.txt 2024-03-01T15:33:42,744 writing top-level names to /tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/top_level.txt 2024-03-01T15:33:42,745 writing manifest file '/tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:42,775 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,775 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h 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/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,805 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,806 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,806 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,807 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,807 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,808 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,808 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,809 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,809 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,809 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,810 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,811 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,811 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,811 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:42,812 reading manifest file '/tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:42,812 reading manifest template 'MANIFEST.in' 2024-03-01T15:33:43,155 no previously-included directories found matching 'moleculekit/test-data' 2024-03-01T15:33:43,156 no previously-included directories found matching 'moleculekit/tests' 2024-03-01T15:33:43,157 no previously-included directories found matching 'package' 2024-03-01T15:33:43,157 adding license file 'LICENSE' 2024-03-01T15:33:43,169 writing manifest file '/tmp/pip-modern-metadata-j_x0psmw/moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:43,177 creating '/tmp/pip-modern-metadata-j_x0psmw/moleculekit-1.8.26.dist-info' 2024-03-01T15:33:43,414 Preparing metadata (pyproject.toml): finished with status 'done' 2024-03-01T15:33:43,422 Source in /tmp/pip-wheel-a5d91zot/moleculekit_c9a277e18681451aab0a7a12abe7889f has version 1.8.26, which satisfies requirement moleculekit==1.8.26 from https://files.pythonhosted.org/packages/f2/d0/2c92a559a74562405f0628bc7880908412790a87c494c9b73e3962c7baa9/moleculekit-1.8.26.tar.gz 2024-03-01T15:33:43,423 Removed moleculekit==1.8.26 from https://files.pythonhosted.org/packages/f2/d0/2c92a559a74562405f0628bc7880908412790a87c494c9b73e3962c7baa9/moleculekit-1.8.26.tar.gz from build tracker '/tmp/pip-build-tracker-987ndyyp' 2024-03-01T15:33:43,429 Created temporary directory: /tmp/pip-unpack-0ad87no9 2024-03-01T15:33:43,430 Created temporary directory: /tmp/pip-unpack-cum4gsb_ 2024-03-01T15:33:43,438 Building wheels for collected packages: moleculekit 2024-03-01T15:33:43,444 Created temporary directory: /tmp/pip-wheel-tby895pk 2024-03-01T15:33:43,444 Destination directory: /tmp/pip-wheel-tby895pk 2024-03-01T15:33:43,448 Building wheel for moleculekit (pyproject.toml): started 2024-03-01T15:33:43,449 Running command Building wheel for moleculekit (pyproject.toml) 2024-03-01T15:33:46,206 running bdist_wheel 2024-03-01T15:33:46,220 running build 2024-03-01T15:33:46,221 running build_py 2024-03-01T15:33:46,228 creating build 2024-03-01T15:33:46,228 creating build/lib.linux-armv7l-cpython-311 2024-03-01T15:33:46,229 creating build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,231 copying moleculekit/bondguesser.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,234 copying moleculekit/viewer.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,236 copying moleculekit/version.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,238 copying moleculekit/vmdviewer.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,241 copying moleculekit/writers.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,247 copying moleculekit/align.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,250 copying moleculekit/util.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,254 copying moleculekit/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,256 copying moleculekit/home.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,258 copying moleculekit/config.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,260 copying moleculekit/_version.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,261 copying moleculekit/periodictable.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,264 copying moleculekit/molecule.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,269 copying moleculekit/opm.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,271 copying moleculekit/rdkitintegration.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,273 copying moleculekit/dihedral.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,275 copying moleculekit/distance.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,278 copying moleculekit/pymolgraphics.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,279 copying moleculekit/vmdgraphics.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,282 copying moleculekit/rcsb.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,284 copying moleculekit/readers.py -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:46,289 creating build/lib.linux-armv7l-cpython-311/moleculekit/ply 2024-03-01T15:33:46,290 copying moleculekit/ply/yacc.py -> build/lib.linux-armv7l-cpython-311/moleculekit/ply 2024-03-01T15:33:46,294 copying moleculekit/ply/lex.py -> build/lib.linux-armv7l-cpython-311/moleculekit/ply 2024-03-01T15:33:46,297 copying moleculekit/ply/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/ply 2024-03-01T15:33:46,299 creating build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,300 copying moleculekit/smallmol/test_smallmol.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,303 copying moleculekit/smallmol/util.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,305 copying moleculekit/smallmol/smallmollib.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,308 copying moleculekit/smallmol/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,310 copying moleculekit/smallmol/test_smallmollib.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,312 copying moleculekit/smallmol/smallmol.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol 2024-03-01T15:33:46,316 creating build/lib.linux-armv7l-cpython-311/moleculekit/interactions 2024-03-01T15:33:46,317 copying moleculekit/interactions/interactions.py -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions 2024-03-01T15:33:46,320 copying moleculekit/interactions/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions 2024-03-01T15:33:46,323 creating build/lib.linux-armv7l-cpython-311/moleculekit/pdbx 2024-03-01T15:33:46,324 copying moleculekit/pdbx/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx 2024-03-01T15:33:46,326 creating build/lib.linux-armv7l-cpython-311/moleculekit/atomselect 2024-03-01T15:33:46,327 copying moleculekit/atomselect/languageparser.py -> build/lib.linux-armv7l-cpython-311/moleculekit/atomselect 2024-03-01T15:33:46,329 copying moleculekit/atomselect/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/atomselect 2024-03-01T15:33:46,331 copying moleculekit/atomselect/analyze.py -> build/lib.linux-armv7l-cpython-311/moleculekit/atomselect 2024-03-01T15:33:46,333 copying moleculekit/atomselect/atomselect.py -> build/lib.linux-armv7l-cpython-311/moleculekit/atomselect 2024-03-01T15:33:46,336 creating build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,337 copying moleculekit/tools/detect.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,341 copying moleculekit/tools/atomtyper.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,344 copying moleculekit/tools/docking.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,346 copying moleculekit/tools/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,348 copying moleculekit/tools/hhblitsprofile.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,349 copying moleculekit/tools/crystalpacking.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,352 copying moleculekit/tools/sequencestructuralalignment.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,355 copying moleculekit/tools/voxeldescriptors.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,357 copying moleculekit/tools/preparation.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,361 copying moleculekit/tools/autosegment.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,364 copying moleculekit/tools/modelling.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,367 copying moleculekit/tools/preparation_customres.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,370 copying moleculekit/tools/moleculechecks.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,372 copying moleculekit/tools/graphalignment.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools 2024-03-01T15:33:46,377 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats 2024-03-01T15:33:46,379 copying moleculekit/fileformats/netcdf.py -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats 2024-03-01T15:33:46,385 copying moleculekit/fileformats/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats 2024-03-01T15:33:46,387 copying moleculekit/fileformats/utils.py -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats 2024-03-01T15:33:46,390 creating build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,391 copying moleculekit/projections/metrictmscore.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,394 copying moleculekit/projections/metricsasa.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,396 copying moleculekit/projections/metricsphericalcoordinate.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,399 copying moleculekit/projections/metricrmsd.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,403 copying moleculekit/projections/metriccoordinate.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,405 copying moleculekit/projections/metricdihedral.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,408 copying moleculekit/projections/util.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,410 copying moleculekit/projections/metricplumed2.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,413 copying moleculekit/projections/metricshell.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,416 copying moleculekit/projections/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,418 copying moleculekit/projections/metricgyration.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,423 copying moleculekit/projections/metricsecondarystructure.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,430 copying moleculekit/projections/projection.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,434 copying moleculekit/projections/metricdistance.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,437 copying moleculekit/projections/metricfluctuation.py -> build/lib.linux-armv7l-cpython-311/moleculekit/projections 2024-03-01T15:33:46,439 creating build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools 2024-03-01T15:33:46,440 copying moleculekit/smallmol/tools/restrainedembed.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools 2024-03-01T15:33:46,442 copying moleculekit/smallmol/tools/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools 2024-03-01T15:33:46,444 copying moleculekit/smallmol/tools/test_tools.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools 2024-03-01T15:33:46,446 copying moleculekit/smallmol/tools/clustering.py -> build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools 2024-03-01T15:33:46,449 creating build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests 2024-03-01T15:33:46,450 copying moleculekit/pdbx/tests/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests 2024-03-01T15:33:46,451 copying moleculekit/pdbx/tests/PdbxReadWriteTests.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests 2024-03-01T15:33:46,454 copying moleculekit/pdbx/tests/PdbxWriterTests.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests 2024-03-01T15:33:46,457 copying moleculekit/pdbx/tests/PdbxReaderTests.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests 2024-03-01T15:33:46,460 creating build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader 2024-03-01T15:33:46,461 copying moleculekit/pdbx/reader/PdbxParser.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader 2024-03-01T15:33:46,465 copying moleculekit/pdbx/reader/PdbxContainers.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader 2024-03-01T15:33:46,468 copying moleculekit/pdbx/reader/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader 2024-03-01T15:33:46,470 copying moleculekit/pdbx/reader/PdbxReader.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader 2024-03-01T15:33:46,472 creating build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/writer 2024-03-01T15:33:46,473 copying moleculekit/pdbx/writer/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/writer 2024-03-01T15:33:46,476 copying moleculekit/pdbx/writer/PdbxWriter.py -> build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/writer 2024-03-01T15:33:46,480 creating build/lib.linux-armv7l-cpython-311/moleculekit/tools/obabel_tools 2024-03-01T15:33:46,480 copying moleculekit/tools/obabel_tools/__init__.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools/obabel_tools 2024-03-01T15:33:46,482 copying moleculekit/tools/obabel_tools/obabel_cli.py -> build/lib.linux-armv7l-cpython-311/moleculekit/tools/obabel_tools 2024-03-01T15:33:46,484 running egg_info 2024-03-01T15:33:46,489 writing moleculekit.egg-info/PKG-INFO 2024-03-01T15:33:46,492 writing dependency_links to moleculekit.egg-info/dependency_links.txt 2024-03-01T15:33:46,493 writing requirements to moleculekit.egg-info/requires.txt 2024-03-01T15:33:46,494 writing top-level names to moleculekit.egg-info/top_level.txt 2024-03-01T15:33:46,511 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,512 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,512 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,513 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,513 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,514 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,514 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,515 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,515 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,516 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,516 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,517 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,517 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,518 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,518 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,519 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,519 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,520 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,520 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,521 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,521 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,522 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,522 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,523 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,523 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,524 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,524 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,525 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,525 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,526 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,526 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,526 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,527 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,527 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,528 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,529 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,529 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,530 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,530 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,531 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,531 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,532 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,532 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,533 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,533 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,534 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,534 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,535 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,535 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,536 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,536 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,536 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,537 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,537 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,538 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,538 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,539 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,539 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,540 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,540 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,541 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,541 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,542 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,542 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,543 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,543 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,543 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,544 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,544 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,545 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,545 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,546 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayscalars.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,546 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,547 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,547 dependency /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ufuncobject.h won't be automatically included in the manifest: the path must be relative 2024-03-01T15:33:46,548 reading manifest file 'moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:46,548 reading manifest template 'MANIFEST.in' 2024-03-01T15:33:47,117 no previously-included directories found matching 'moleculekit/test-data' 2024-03-01T15:33:47,118 no previously-included directories found matching 'moleculekit/tests' 2024-03-01T15:33:47,119 no previously-included directories found matching 'package' 2024-03-01T15:33:47,119 adding license file 'LICENSE' 2024-03-01T15:33:47,134 writing manifest file 'moleculekit.egg-info/SOURCES.txt' 2024-03-01T15:33:47,143 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.atomselect_utils' is absent from the `packages` configuration. 2024-03-01T15:33:47,144 !! 2024-03-01T15:33:47,145 ******************************************************************************** 2024-03-01T15:33:47,145 ############################ 2024-03-01T15:33:47,146 # Package would be ignored # 2024-03-01T15:33:47,146 ############################ 2024-03-01T15:33:47,147 Python recognizes 'moleculekit.atomselect_utils' as an importable package[^1], 2024-03-01T15:33:47,147 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,148 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,148 package, please make sure that 'moleculekit.atomselect_utils' is explicitly added 2024-03-01T15:33:47,149 to the `packages` configuration field. 2024-03-01T15:33:47,150 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,151 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,151 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,152 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,153 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,154 If you don't want 'moleculekit.atomselect_utils' to be distributed and are 2024-03-01T15:33:47,155 already explicitly excluding 'moleculekit.atomselect_utils' via 2024-03-01T15:33:47,155 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,156 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,156 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,157 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,158 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,159 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,160 even if it does not contain any `.py` files. 2024-03-01T15:33:47,160 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,161 directory, all directories are treated like packages. 2024-03-01T15:33:47,161 ******************************************************************************** 2024-03-01T15:33:47,162 !! 2024-03-01T15:33:47,162 check.warn(importable) 2024-03-01T15:33:47,163 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.bondguesser_utils' is absent from the `packages` configuration. 2024-03-01T15:33:47,163 !! 2024-03-01T15:33:47,164 ******************************************************************************** 2024-03-01T15:33:47,165 ############################ 2024-03-01T15:33:47,165 # Package would be ignored # 2024-03-01T15:33:47,166 ############################ 2024-03-01T15:33:47,166 Python recognizes 'moleculekit.bondguesser_utils' as an importable package[^1], 2024-03-01T15:33:47,167 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,167 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,168 package, please make sure that 'moleculekit.bondguesser_utils' is explicitly added 2024-03-01T15:33:47,168 to the `packages` configuration field. 2024-03-01T15:33:47,170 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,170 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,170 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,171 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,172 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,173 If you don't want 'moleculekit.bondguesser_utils' to be distributed and are 2024-03-01T15:33:47,173 already explicitly excluding 'moleculekit.bondguesser_utils' via 2024-03-01T15:33:47,174 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,174 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,175 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,175 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,176 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,178 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,178 even if it does not contain any `.py` files. 2024-03-01T15:33:47,178 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,179 directory, all directories are treated like packages. 2024-03-01T15:33:47,179 ******************************************************************************** 2024-03-01T15:33:47,180 !! 2024-03-01T15:33:47,180 check.warn(importable) 2024-03-01T15:33:47,181 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.cython_utils' is absent from the `packages` configuration. 2024-03-01T15:33:47,181 !! 2024-03-01T15:33:47,182 ******************************************************************************** 2024-03-01T15:33:47,183 ############################ 2024-03-01T15:33:47,183 # Package would be ignored # 2024-03-01T15:33:47,183 ############################ 2024-03-01T15:33:47,184 Python recognizes 'moleculekit.cython_utils' as an importable package[^1], 2024-03-01T15:33:47,184 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,185 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,186 package, please make sure that 'moleculekit.cython_utils' is explicitly added 2024-03-01T15:33:47,186 to the `packages` configuration field. 2024-03-01T15:33:47,187 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,188 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,189 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,190 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,192 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,194 If you don't want 'moleculekit.cython_utils' to be distributed and are 2024-03-01T15:33:47,195 already explicitly excluding 'moleculekit.cython_utils' via 2024-03-01T15:33:47,196 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,197 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,198 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,200 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,202 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,203 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,204 even if it does not contain any `.py` files. 2024-03-01T15:33:47,204 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,205 directory, all directories are treated like packages. 2024-03-01T15:33:47,205 ******************************************************************************** 2024-03-01T15:33:47,206 !! 2024-03-01T15:33:47,207 check.warn(importable) 2024-03-01T15:33:47,207 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.distance_utils' is absent from the `packages` configuration. 2024-03-01T15:33:47,208 !! 2024-03-01T15:33:47,209 ******************************************************************************** 2024-03-01T15:33:47,210 ############################ 2024-03-01T15:33:47,211 # Package would be ignored # 2024-03-01T15:33:47,211 ############################ 2024-03-01T15:33:47,212 Python recognizes 'moleculekit.distance_utils' as an importable package[^1], 2024-03-01T15:33:47,213 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,215 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,216 package, please make sure that 'moleculekit.distance_utils' is explicitly added 2024-03-01T15:33:47,217 to the `packages` configuration field. 2024-03-01T15:33:47,219 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,220 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,221 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,222 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,223 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,224 If you don't want 'moleculekit.distance_utils' to be distributed and are 2024-03-01T15:33:47,224 already explicitly excluding 'moleculekit.distance_utils' via 2024-03-01T15:33:47,225 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,225 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,226 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,227 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,228 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,230 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,231 even if it does not contain any `.py` files. 2024-03-01T15:33:47,231 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,232 directory, all directories are treated like packages. 2024-03-01T15:33:47,232 ******************************************************************************** 2024-03-01T15:33:47,233 !! 2024-03-01T15:33:47,234 check.warn(importable) 2024-03-01T15:33:47,234 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.binpos' is absent from the `packages` configuration. 2024-03-01T15:33:47,235 !! 2024-03-01T15:33:47,236 ******************************************************************************** 2024-03-01T15:33:47,236 ############################ 2024-03-01T15:33:47,237 # Package would be ignored # 2024-03-01T15:33:47,238 ############################ 2024-03-01T15:33:47,239 Python recognizes 'moleculekit.fileformats.binpos' as an importable package[^1], 2024-03-01T15:33:47,240 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,241 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,242 package, please make sure that 'moleculekit.fileformats.binpos' is explicitly added 2024-03-01T15:33:47,242 to the `packages` configuration field. 2024-03-01T15:33:47,243 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,243 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,244 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,245 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,246 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,246 If you don't want 'moleculekit.fileformats.binpos' to be distributed and are 2024-03-01T15:33:47,247 already explicitly excluding 'moleculekit.fileformats.binpos' via 2024-03-01T15:33:47,247 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,248 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,249 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,250 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,252 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,287 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,287 even if it does not contain any `.py` files. 2024-03-01T15:33:47,297 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,298 directory, all directories are treated like packages. 2024-03-01T15:33:47,299 ******************************************************************************** 2024-03-01T15:33:47,301 !! 2024-03-01T15:33:47,302 check.warn(importable) 2024-03-01T15:33:47,303 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.binpos.include' is absent from the `packages` configuration. 2024-03-01T15:33:47,304 !! 2024-03-01T15:33:47,307 ******************************************************************************** 2024-03-01T15:33:47,308 ############################ 2024-03-01T15:33:47,309 # Package would be ignored # 2024-03-01T15:33:47,310 ############################ 2024-03-01T15:33:47,311 Python recognizes 'moleculekit.fileformats.binpos.include' as an importable package[^1], 2024-03-01T15:33:47,312 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,314 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,315 package, please make sure that 'moleculekit.fileformats.binpos.include' is explicitly added 2024-03-01T15:33:47,316 to the `packages` configuration field. 2024-03-01T15:33:47,319 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,357 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,358 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,358 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,359 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,360 If you don't want 'moleculekit.fileformats.binpos.include' to be distributed and are 2024-03-01T15:33:47,361 already explicitly excluding 'moleculekit.fileformats.binpos.include' via 2024-03-01T15:33:47,361 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,362 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,362 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,363 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,363 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,365 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,365 even if it does not contain any `.py` files. 2024-03-01T15:33:47,366 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,366 directory, all directories are treated like packages. 2024-03-01T15:33:47,366 ******************************************************************************** 2024-03-01T15:33:47,367 !! 2024-03-01T15:33:47,368 check.warn(importable) 2024-03-01T15:33:47,368 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.binpos.src' is absent from the `packages` configuration. 2024-03-01T15:33:47,368 !! 2024-03-01T15:33:47,370 ******************************************************************************** 2024-03-01T15:33:47,370 ############################ 2024-03-01T15:33:47,371 # Package would be ignored # 2024-03-01T15:33:47,371 ############################ 2024-03-01T15:33:47,372 Python recognizes 'moleculekit.fileformats.binpos.src' as an importable package[^1], 2024-03-01T15:33:47,372 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,373 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,373 package, please make sure that 'moleculekit.fileformats.binpos.src' is explicitly added 2024-03-01T15:33:47,374 to the `packages` configuration field. 2024-03-01T15:33:47,375 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,375 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,375 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,376 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,378 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,379 If you don't want 'moleculekit.fileformats.binpos.src' to be distributed and are 2024-03-01T15:33:47,379 already explicitly excluding 'moleculekit.fileformats.binpos.src' via 2024-03-01T15:33:47,379 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,380 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,380 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,382 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,382 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,384 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,384 even if it does not contain any `.py` files. 2024-03-01T15:33:47,385 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,385 directory, all directories are treated like packages. 2024-03-01T15:33:47,386 ******************************************************************************** 2024-03-01T15:33:47,387 !! 2024-03-01T15:33:47,387 check.warn(importable) 2024-03-01T15:33:47,388 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.dcd' is absent from the `packages` configuration. 2024-03-01T15:33:47,388 !! 2024-03-01T15:33:47,389 ******************************************************************************** 2024-03-01T15:33:47,389 ############################ 2024-03-01T15:33:47,389 # Package would be ignored # 2024-03-01T15:33:47,390 ############################ 2024-03-01T15:33:47,390 Python recognizes 'moleculekit.fileformats.dcd' as an importable package[^1], 2024-03-01T15:33:47,391 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,392 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,392 package, please make sure that 'moleculekit.fileformats.dcd' is explicitly added 2024-03-01T15:33:47,392 to the `packages` configuration field. 2024-03-01T15:33:47,393 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,394 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,394 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,395 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,396 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,397 If you don't want 'moleculekit.fileformats.dcd' to be distributed and are 2024-03-01T15:33:47,397 already explicitly excluding 'moleculekit.fileformats.dcd' via 2024-03-01T15:33:47,397 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,398 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,398 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,399 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,400 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,401 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,401 even if it does not contain any `.py` files. 2024-03-01T15:33:47,402 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,402 directory, all directories are treated like packages. 2024-03-01T15:33:47,403 ******************************************************************************** 2024-03-01T15:33:47,403 !! 2024-03-01T15:33:47,404 check.warn(importable) 2024-03-01T15:33:47,404 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.dcd.include' is absent from the `packages` configuration. 2024-03-01T15:33:47,405 !! 2024-03-01T15:33:47,406 ******************************************************************************** 2024-03-01T15:33:47,406 ############################ 2024-03-01T15:33:47,407 # Package would be ignored # 2024-03-01T15:33:47,407 ############################ 2024-03-01T15:33:47,407 Python recognizes 'moleculekit.fileformats.dcd.include' as an importable package[^1], 2024-03-01T15:33:47,408 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,409 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,409 package, please make sure that 'moleculekit.fileformats.dcd.include' is explicitly added 2024-03-01T15:33:47,409 to the `packages` configuration field. 2024-03-01T15:33:47,410 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,411 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,411 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,412 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,413 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,414 If you don't want 'moleculekit.fileformats.dcd.include' to be distributed and are 2024-03-01T15:33:47,414 already explicitly excluding 'moleculekit.fileformats.dcd.include' via 2024-03-01T15:33:47,414 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,415 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,416 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,417 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,417 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,419 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,419 even if it does not contain any `.py` files. 2024-03-01T15:33:47,420 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,420 directory, all directories are treated like packages. 2024-03-01T15:33:47,420 ******************************************************************************** 2024-03-01T15:33:47,421 !! 2024-03-01T15:33:47,422 check.warn(importable) 2024-03-01T15:33:47,422 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.dcd.src' is absent from the `packages` configuration. 2024-03-01T15:33:47,423 !! 2024-03-01T15:33:47,423 ******************************************************************************** 2024-03-01T15:33:47,424 ############################ 2024-03-01T15:33:47,424 # Package would be ignored # 2024-03-01T15:33:47,425 ############################ 2024-03-01T15:33:47,425 Python recognizes 'moleculekit.fileformats.dcd.src' as an importable package[^1], 2024-03-01T15:33:47,426 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,427 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,427 package, please make sure that 'moleculekit.fileformats.dcd.src' is explicitly added 2024-03-01T15:33:47,428 to the `packages` configuration field. 2024-03-01T15:33:47,429 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,429 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,430 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,431 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,432 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,433 If you don't want 'moleculekit.fileformats.dcd.src' to be distributed and are 2024-03-01T15:33:47,433 already explicitly excluding 'moleculekit.fileformats.dcd.src' via 2024-03-01T15:33:47,434 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,434 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,435 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,436 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,437 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,438 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,439 even if it does not contain any `.py` files. 2024-03-01T15:33:47,439 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,439 directory, all directories are treated like packages. 2024-03-01T15:33:47,440 ******************************************************************************** 2024-03-01T15:33:47,441 !! 2024-03-01T15:33:47,442 check.warn(importable) 2024-03-01T15:33:47,442 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.xtc' is absent from the `packages` configuration. 2024-03-01T15:33:47,442 !! 2024-03-01T15:33:47,443 ******************************************************************************** 2024-03-01T15:33:47,444 ############################ 2024-03-01T15:33:47,444 # Package would be ignored # 2024-03-01T15:33:47,445 ############################ 2024-03-01T15:33:47,445 Python recognizes 'moleculekit.fileformats.xtc' as an importable package[^1], 2024-03-01T15:33:47,446 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,446 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,447 package, please make sure that 'moleculekit.fileformats.xtc' is explicitly added 2024-03-01T15:33:47,447 to the `packages` configuration field. 2024-03-01T15:33:47,448 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,449 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,449 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,451 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,457 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,468 If you don't want 'moleculekit.fileformats.xtc' to be distributed and are 2024-03-01T15:33:47,469 already explicitly excluding 'moleculekit.fileformats.xtc' via 2024-03-01T15:33:47,469 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,470 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,471 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,473 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,474 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,477 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,477 even if it does not contain any `.py` files. 2024-03-01T15:33:47,478 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,478 directory, all directories are treated like packages. 2024-03-01T15:33:47,479 ******************************************************************************** 2024-03-01T15:33:47,480 !! 2024-03-01T15:33:47,481 check.warn(importable) 2024-03-01T15:33:47,481 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.xtc.include' is absent from the `packages` configuration. 2024-03-01T15:33:47,482 !! 2024-03-01T15:33:47,483 ******************************************************************************** 2024-03-01T15:33:47,483 ############################ 2024-03-01T15:33:47,484 # Package would be ignored # 2024-03-01T15:33:47,484 ############################ 2024-03-01T15:33:47,485 Python recognizes 'moleculekit.fileformats.xtc.include' as an importable package[^1], 2024-03-01T15:33:47,486 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,491 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,494 package, please make sure that 'moleculekit.fileformats.xtc.include' is explicitly added 2024-03-01T15:33:47,496 to the `packages` configuration field. 2024-03-01T15:33:47,497 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,497 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,498 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,499 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,500 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,501 If you don't want 'moleculekit.fileformats.xtc.include' to be distributed and are 2024-03-01T15:33:47,501 already explicitly excluding 'moleculekit.fileformats.xtc.include' via 2024-03-01T15:33:47,506 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,508 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,509 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,517 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,520 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,521 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,522 even if it does not contain any `.py` files. 2024-03-01T15:33:47,522 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,523 directory, all directories are treated like packages. 2024-03-01T15:33:47,523 ******************************************************************************** 2024-03-01T15:33:47,524 !! 2024-03-01T15:33:47,525 check.warn(importable) 2024-03-01T15:33:47,525 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.fileformats.xtc.src' is absent from the `packages` configuration. 2024-03-01T15:33:47,526 !! 2024-03-01T15:33:47,527 ******************************************************************************** 2024-03-01T15:33:47,527 ############################ 2024-03-01T15:33:47,528 # Package would be ignored # 2024-03-01T15:33:47,529 ############################ 2024-03-01T15:33:47,529 Python recognizes 'moleculekit.fileformats.xtc.src' as an importable package[^1], 2024-03-01T15:33:47,530 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,531 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,532 package, please make sure that 'moleculekit.fileformats.xtc.src' is explicitly added 2024-03-01T15:33:47,533 to the `packages` configuration field. 2024-03-01T15:33:47,539 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,551 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,560 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,562 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,563 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,564 If you don't want 'moleculekit.fileformats.xtc.src' to be distributed and are 2024-03-01T15:33:47,565 already explicitly excluding 'moleculekit.fileformats.xtc.src' via 2024-03-01T15:33:47,565 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,566 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,567 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,567 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,569 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,570 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,571 even if it does not contain any `.py` files. 2024-03-01T15:33:47,571 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,572 directory, all directories are treated like packages. 2024-03-01T15:33:47,573 ******************************************************************************** 2024-03-01T15:33:47,576 !! 2024-03-01T15:33:47,577 check.warn(importable) 2024-03-01T15:33:47,581 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.interactions.cationpi' is absent from the `packages` configuration. 2024-03-01T15:33:47,589 !! 2024-03-01T15:33:47,590 ******************************************************************************** 2024-03-01T15:33:47,590 ############################ 2024-03-01T15:33:47,591 # Package would be ignored # 2024-03-01T15:33:47,591 ############################ 2024-03-01T15:33:47,592 Python recognizes 'moleculekit.interactions.cationpi' as an importable package[^1], 2024-03-01T15:33:47,592 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,594 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,594 package, please make sure that 'moleculekit.interactions.cationpi' is explicitly added 2024-03-01T15:33:47,595 to the `packages` configuration field. 2024-03-01T15:33:47,596 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,596 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,597 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,598 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,599 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,600 If you don't want 'moleculekit.interactions.cationpi' to be distributed and are 2024-03-01T15:33:47,601 already explicitly excluding 'moleculekit.interactions.cationpi' via 2024-03-01T15:33:47,601 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,602 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,602 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,603 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,605 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,607 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,607 even if it does not contain any `.py` files. 2024-03-01T15:33:47,608 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,608 directory, all directories are treated like packages. 2024-03-01T15:33:47,609 ******************************************************************************** 2024-03-01T15:33:47,610 !! 2024-03-01T15:33:47,611 check.warn(importable) 2024-03-01T15:33:47,612 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.interactions.hbonds' is absent from the `packages` configuration. 2024-03-01T15:33:47,612 !! 2024-03-01T15:33:47,613 ******************************************************************************** 2024-03-01T15:33:47,614 ############################ 2024-03-01T15:33:47,614 # Package would be ignored # 2024-03-01T15:33:47,615 ############################ 2024-03-01T15:33:47,615 Python recognizes 'moleculekit.interactions.hbonds' as an importable package[^1], 2024-03-01T15:33:47,616 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,617 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,617 package, please make sure that 'moleculekit.interactions.hbonds' is explicitly added 2024-03-01T15:33:47,618 to the `packages` configuration field. 2024-03-01T15:33:47,619 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,619 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,620 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,621 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,622 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,623 If you don't want 'moleculekit.interactions.hbonds' to be distributed and are 2024-03-01T15:33:47,624 already explicitly excluding 'moleculekit.interactions.hbonds' via 2024-03-01T15:33:47,624 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,625 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,625 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,626 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,627 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,629 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,630 even if it does not contain any `.py` files. 2024-03-01T15:33:47,630 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,631 directory, all directories are treated like packages. 2024-03-01T15:33:47,631 ******************************************************************************** 2024-03-01T15:33:47,633 !! 2024-03-01T15:33:47,633 check.warn(importable) 2024-03-01T15:33:47,634 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.interactions.pipi' is absent from the `packages` configuration. 2024-03-01T15:33:47,634 !! 2024-03-01T15:33:47,635 ******************************************************************************** 2024-03-01T15:33:47,636 ############################ 2024-03-01T15:33:47,637 # Package would be ignored # 2024-03-01T15:33:47,637 ############################ 2024-03-01T15:33:47,638 Python recognizes 'moleculekit.interactions.pipi' as an importable package[^1], 2024-03-01T15:33:47,639 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,640 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,640 package, please make sure that 'moleculekit.interactions.pipi' is explicitly added 2024-03-01T15:33:47,641 to the `packages` configuration field. 2024-03-01T15:33:47,642 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,643 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,643 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,644 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,646 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,647 If you don't want 'moleculekit.interactions.pipi' to be distributed and are 2024-03-01T15:33:47,647 already explicitly excluding 'moleculekit.interactions.pipi' via 2024-03-01T15:33:47,648 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,648 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,649 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,650 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,651 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,653 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,653 even if it does not contain any `.py` files. 2024-03-01T15:33:47,654 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,655 directory, all directories are treated like packages. 2024-03-01T15:33:47,655 ******************************************************************************** 2024-03-01T15:33:47,657 !! 2024-03-01T15:33:47,658 check.warn(importable) 2024-03-01T15:33:47,659 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.interactions.sigmahole' is absent from the `packages` configuration. 2024-03-01T15:33:47,659 !! 2024-03-01T15:33:47,660 ******************************************************************************** 2024-03-01T15:33:47,661 ############################ 2024-03-01T15:33:47,662 # Package would be ignored # 2024-03-01T15:33:47,662 ############################ 2024-03-01T15:33:47,663 Python recognizes 'moleculekit.interactions.sigmahole' as an importable package[^1], 2024-03-01T15:33:47,663 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,665 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,665 package, please make sure that 'moleculekit.interactions.sigmahole' is explicitly added 2024-03-01T15:33:47,666 to the `packages` configuration field. 2024-03-01T15:33:47,700 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,709 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,725 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,750 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,798 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,806 If you don't want 'moleculekit.interactions.sigmahole' to be distributed and are 2024-03-01T15:33:47,807 already explicitly excluding 'moleculekit.interactions.sigmahole' via 2024-03-01T15:33:47,808 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,808 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,809 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,810 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,811 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,813 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,814 even if it does not contain any `.py` files. 2024-03-01T15:33:47,814 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,814 directory, all directories are treated like packages. 2024-03-01T15:33:47,815 ******************************************************************************** 2024-03-01T15:33:47,816 !! 2024-03-01T15:33:47,816 check.warn(importable) 2024-03-01T15:33:47,819 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.occupancy_utils' is absent from the `packages` configuration. 2024-03-01T15:33:47,820 !! 2024-03-01T15:33:47,822 ******************************************************************************** 2024-03-01T15:33:47,822 ############################ 2024-03-01T15:33:47,823 # Package would be ignored # 2024-03-01T15:33:47,823 ############################ 2024-03-01T15:33:47,824 Python recognizes 'moleculekit.occupancy_utils' as an importable package[^1], 2024-03-01T15:33:47,825 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,827 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,827 package, please make sure that 'moleculekit.occupancy_utils' is explicitly added 2024-03-01T15:33:47,828 to the `packages` configuration field. 2024-03-01T15:33:47,829 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,830 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,831 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,833 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,837 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,839 If you don't want 'moleculekit.occupancy_utils' to be distributed and are 2024-03-01T15:33:47,840 already explicitly excluding 'moleculekit.occupancy_utils' via 2024-03-01T15:33:47,841 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,841 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,842 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,843 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,845 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,847 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,847 even if it does not contain any `.py` files. 2024-03-01T15:33:47,848 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,849 directory, all directories are treated like packages. 2024-03-01T15:33:47,849 ******************************************************************************** 2024-03-01T15:33:47,851 !! 2024-03-01T15:33:47,852 check.warn(importable) 2024-03-01T15:33:47,852 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.share' is absent from the `packages` configuration. 2024-03-01T15:33:47,853 !! 2024-03-01T15:33:47,855 ******************************************************************************** 2024-03-01T15:33:47,855 ############################ 2024-03-01T15:33:47,856 # Package would be ignored # 2024-03-01T15:33:47,857 ############################ 2024-03-01T15:33:47,857 Python recognizes 'moleculekit.share' as an importable package[^1], 2024-03-01T15:33:47,858 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,859 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,860 package, please make sure that 'moleculekit.share' is explicitly added 2024-03-01T15:33:47,860 to the `packages` configuration field. 2024-03-01T15:33:47,861 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,862 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,862 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,863 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,865 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,867 If you don't want 'moleculekit.share' to be distributed and are 2024-03-01T15:33:47,868 already explicitly excluding 'moleculekit.share' via 2024-03-01T15:33:47,868 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,869 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,870 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,871 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,872 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,874 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,875 even if it does not contain any `.py` files. 2024-03-01T15:33:47,876 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,876 directory, all directories are treated like packages. 2024-03-01T15:33:47,877 ******************************************************************************** 2024-03-01T15:33:47,878 !! 2024-03-01T15:33:47,879 check.warn(importable) 2024-03-01T15:33:47,879 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.share.atomselect' is absent from the `packages` configuration. 2024-03-01T15:33:47,880 !! 2024-03-01T15:33:47,881 ******************************************************************************** 2024-03-01T15:33:47,882 ############################ 2024-03-01T15:33:47,883 # Package would be ignored # 2024-03-01T15:33:47,884 ############################ 2024-03-01T15:33:47,885 Python recognizes 'moleculekit.share.atomselect' as an importable package[^1], 2024-03-01T15:33:47,885 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,886 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,887 package, please make sure that 'moleculekit.share.atomselect' is explicitly added 2024-03-01T15:33:47,887 to the `packages` configuration field. 2024-03-01T15:33:47,888 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,889 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,889 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,891 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,892 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,893 If you don't want 'moleculekit.share.atomselect' to be distributed and are 2024-03-01T15:33:47,894 already explicitly excluding 'moleculekit.share.atomselect' via 2024-03-01T15:33:47,894 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,895 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,896 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,897 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,898 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,899 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,899 even if it does not contain any `.py` files. 2024-03-01T15:33:47,900 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,900 directory, all directories are treated like packages. 2024-03-01T15:33:47,901 ******************************************************************************** 2024-03-01T15:33:47,902 !! 2024-03-01T15:33:47,903 check.warn(importable) 2024-03-01T15:33:47,903 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.share.pdb2pqr.residues' is absent from the `packages` configuration. 2024-03-01T15:33:47,904 !! 2024-03-01T15:33:47,905 ******************************************************************************** 2024-03-01T15:33:47,905 ############################ 2024-03-01T15:33:47,906 # Package would be ignored # 2024-03-01T15:33:47,907 ############################ 2024-03-01T15:33:47,907 Python recognizes 'moleculekit.share.pdb2pqr.residues' as an importable package[^1], 2024-03-01T15:33:47,908 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,909 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,909 package, please make sure that 'moleculekit.share.pdb2pqr.residues' is explicitly added 2024-03-01T15:33:47,910 to the `packages` configuration field. 2024-03-01T15:33:47,911 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,912 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,912 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,914 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,958 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,959 If you don't want 'moleculekit.share.pdb2pqr.residues' to be distributed and are 2024-03-01T15:33:47,959 already explicitly excluding 'moleculekit.share.pdb2pqr.residues' via 2024-03-01T15:33:47,960 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,961 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,961 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,962 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,964 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,966 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,967 even if it does not contain any `.py` files. 2024-03-01T15:33:47,967 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,968 directory, all directories are treated like packages. 2024-03-01T15:33:47,969 ******************************************************************************** 2024-03-01T15:33:47,971 !! 2024-03-01T15:33:47,971 check.warn(importable) 2024-03-01T15:33:47,972 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.tmalign' is absent from the `packages` configuration. 2024-03-01T15:33:47,973 !! 2024-03-01T15:33:47,975 ******************************************************************************** 2024-03-01T15:33:47,975 ############################ 2024-03-01T15:33:47,976 # Package would be ignored # 2024-03-01T15:33:47,976 ############################ 2024-03-01T15:33:47,977 Python recognizes 'moleculekit.tmalign' as an importable package[^1], 2024-03-01T15:33:47,977 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,978 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:47,978 package, please make sure that 'moleculekit.tmalign' is explicitly added 2024-03-01T15:33:47,979 to the `packages` configuration field. 2024-03-01T15:33:47,980 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:47,981 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:47,981 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:47,982 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:47,983 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:47,984 If you don't want 'moleculekit.tmalign' to be distributed and are 2024-03-01T15:33:47,985 already explicitly excluding 'moleculekit.tmalign' via 2024-03-01T15:33:47,985 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:47,986 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:47,987 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:47,987 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:47,988 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:47,990 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:47,990 even if it does not contain any `.py` files. 2024-03-01T15:33:47,991 On the other hand, currently there is no concept of package data 2024-03-01T15:33:47,991 directory, all directories are treated like packages. 2024-03-01T15:33:47,992 ******************************************************************************** 2024-03-01T15:33:47,993 !! 2024-03-01T15:33:47,994 check.warn(importable) 2024-03-01T15:33:47,994 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.tmalign.include' is absent from the `packages` configuration. 2024-03-01T15:33:47,995 !! 2024-03-01T15:33:47,995 ******************************************************************************** 2024-03-01T15:33:47,996 ############################ 2024-03-01T15:33:47,996 # Package would be ignored # 2024-03-01T15:33:47,997 ############################ 2024-03-01T15:33:47,998 Python recognizes 'moleculekit.tmalign.include' as an importable package[^1], 2024-03-01T15:33:47,998 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:47,999 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:48,000 package, please make sure that 'moleculekit.tmalign.include' is explicitly added 2024-03-01T15:33:48,000 to the `packages` configuration field. 2024-03-01T15:33:48,001 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:48,002 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:48,002 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:48,003 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:48,004 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:48,005 If you don't want 'moleculekit.tmalign.include' to be distributed and are 2024-03-01T15:33:48,006 already explicitly excluding 'moleculekit.tmalign.include' via 2024-03-01T15:33:48,006 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:48,007 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:48,007 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:48,008 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:48,010 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:48,011 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:48,012 even if it does not contain any `.py` files. 2024-03-01T15:33:48,012 On the other hand, currently there is no concept of package data 2024-03-01T15:33:48,013 directory, all directories are treated like packages. 2024-03-01T15:33:48,013 ******************************************************************************** 2024-03-01T15:33:48,014 !! 2024-03-01T15:33:48,015 check.warn(importable) 2024-03-01T15:33:48,015 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.tmalign.src' is absent from the `packages` configuration. 2024-03-01T15:33:48,016 !! 2024-03-01T15:33:48,017 ******************************************************************************** 2024-03-01T15:33:48,017 ############################ 2024-03-01T15:33:48,018 # Package would be ignored # 2024-03-01T15:33:48,018 ############################ 2024-03-01T15:33:48,019 Python recognizes 'moleculekit.tmalign.src' as an importable package[^1], 2024-03-01T15:33:48,019 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:48,020 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:48,021 package, please make sure that 'moleculekit.tmalign.src' is explicitly added 2024-03-01T15:33:48,022 to the `packages` configuration field. 2024-03-01T15:33:48,023 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:48,023 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:48,024 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:48,025 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:48,026 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:48,027 If you don't want 'moleculekit.tmalign.src' to be distributed and are 2024-03-01T15:33:48,028 already explicitly excluding 'moleculekit.tmalign.src' via 2024-03-01T15:33:48,029 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:48,029 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:48,030 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:48,031 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:48,032 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:48,034 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:48,034 even if it does not contain any `.py` files. 2024-03-01T15:33:48,035 On the other hand, currently there is no concept of package data 2024-03-01T15:33:48,035 directory, all directories are treated like packages. 2024-03-01T15:33:48,036 ******************************************************************************** 2024-03-01T15:33:48,037 !! 2024-03-01T15:33:48,037 check.warn(importable) 2024-03-01T15:33:48,038 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'moleculekit.wrapping' is absent from the `packages` configuration. 2024-03-01T15:33:48,039 !! 2024-03-01T15:33:48,040 ******************************************************************************** 2024-03-01T15:33:48,040 ############################ 2024-03-01T15:33:48,041 # Package would be ignored # 2024-03-01T15:33:48,041 ############################ 2024-03-01T15:33:48,042 Python recognizes 'moleculekit.wrapping' as an importable package[^1], 2024-03-01T15:33:48,042 but it is absent from setuptools' `packages` configuration. 2024-03-01T15:33:48,043 This leads to an ambiguous overall configuration. If you want to distribute this 2024-03-01T15:33:48,044 package, please make sure that 'moleculekit.wrapping' is explicitly added 2024-03-01T15:33:48,044 to the `packages` configuration field. 2024-03-01T15:33:48,046 Alternatively, you can also rely on setuptools' discovery methods 2024-03-01T15:33:48,046 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-03-01T15:33:48,047 instead of `find_packages(...)`/`find:`). 2024-03-01T15:33:48,048 You can read more about "package discovery" on setuptools documentation page: 2024-03-01T15:33:48,049 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-03-01T15:33:48,049 If you don't want 'moleculekit.wrapping' to be distributed and are 2024-03-01T15:33:48,050 already explicitly excluding 'moleculekit.wrapping' via 2024-03-01T15:33:48,050 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-03-01T15:33:48,051 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-03-01T15:33:48,051 combination with a more fine grained `package-data` configuration. 2024-03-01T15:33:48,052 You can read more about "package data files" on setuptools documentation page: 2024-03-01T15:33:48,053 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-03-01T15:33:48,055 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-03-01T15:33:48,055 even if it does not contain any `.py` files. 2024-03-01T15:33:48,056 On the other hand, currently there is no concept of package data 2024-03-01T15:33:48,056 directory, all directories are treated like packages. 2024-03-01T15:33:48,057 ******************************************************************************** 2024-03-01T15:33:48,058 !! 2024-03-01T15:33:48,058 check.warn(importable) 2024-03-01T15:33:48,059 copying moleculekit/logging.ini -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:48,060 copying moleculekit/vmd_wrapper -> build/lib.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:48,060 creating build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils 2024-03-01T15:33:48,061 copying moleculekit/atomselect_utils/atomselect_utils.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils 2024-03-01T15:33:48,061 copying moleculekit/atomselect_utils/atomselect_utils.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils 2024-03-01T15:33:48,062 creating build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils 2024-03-01T15:33:48,062 copying moleculekit/bondguesser_utils/bondguesser_utils.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils 2024-03-01T15:33:48,063 copying moleculekit/bondguesser_utils/bondguesser_utils.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils 2024-03-01T15:33:48,064 creating build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils 2024-03-01T15:33:48,064 copying moleculekit/cython_utils/cython_utils.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils 2024-03-01T15:33:48,064 copying moleculekit/cython_utils/cython_utils.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils 2024-03-01T15:33:48,065 creating build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils 2024-03-01T15:33:48,065 copying moleculekit/distance_utils/distance_utils.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils 2024-03-01T15:33:48,066 copying moleculekit/distance_utils/distance_utils.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils 2024-03-01T15:33:48,066 creating build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils 2024-03-01T15:33:48,067 copying moleculekit/occupancy_utils/occupancy_utils.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils 2024-03-01T15:33:48,067 copying moleculekit/occupancy_utils/occupancy_utils.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils 2024-03-01T15:33:48,068 creating build/lib.linux-armv7l-cpython-311/moleculekit/share 2024-03-01T15:33:48,068 copying moleculekit/share/ALA.cif -> build/lib.linux-armv7l-cpython-311/moleculekit/share 2024-03-01T15:33:48,069 copying moleculekit/share/backbone.cif -> build/lib.linux-armv7l-cpython-311/moleculekit/share 2024-03-01T15:33:48,069 copying moleculekit/share/opm_sequences.json -> build/lib.linux-armv7l-cpython-311/moleculekit/share 2024-03-01T15:33:48,070 creating build/lib.linux-armv7l-cpython-311/moleculekit/share/atomselect 2024-03-01T15:33:48,070 copying moleculekit/share/atomselect/atomselect.json -> build/lib.linux-armv7l-cpython-311/moleculekit/share/atomselect 2024-03-01T15:33:48,071 creating build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr 2024-03-01T15:33:48,072 creating build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,072 copying moleculekit/share/pdb2pqr/residues/.gitkeep -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,072 copying moleculekit/share/pdb2pqr/residues/004.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,073 copying moleculekit/share/pdb2pqr/residues/004.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,073 copying moleculekit/share/pdb2pqr/residues/03Y.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,074 copying moleculekit/share/pdb2pqr/residues/03Y.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,075 copying moleculekit/share/pdb2pqr/residues/0A1.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,075 copying moleculekit/share/pdb2pqr/residues/0A1.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,076 copying moleculekit/share/pdb2pqr/residues/0AF.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,076 copying moleculekit/share/pdb2pqr/residues/0AF.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,077 copying moleculekit/share/pdb2pqr/residues/0BN.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,078 copying moleculekit/share/pdb2pqr/residues/0BN.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,078 copying moleculekit/share/pdb2pqr/residues/1MH.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,079 copying moleculekit/share/pdb2pqr/residues/1MH.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,079 copying moleculekit/share/pdb2pqr/residues/2AS.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,080 copying moleculekit/share/pdb2pqr/residues/2AS.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,080 copying moleculekit/share/pdb2pqr/residues/2GX.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,081 copying moleculekit/share/pdb2pqr/residues/2GX.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,081 copying moleculekit/share/pdb2pqr/residues/2ML.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,082 copying moleculekit/share/pdb2pqr/residues/2ML.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,082 copying moleculekit/share/pdb2pqr/residues/2MR.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,083 copying moleculekit/share/pdb2pqr/residues/2MR.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,083 copying moleculekit/share/pdb2pqr/residues/4IN.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,084 copying moleculekit/share/pdb2pqr/residues/4IN.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,084 copying moleculekit/share/pdb2pqr/residues/4PH.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,085 copying moleculekit/share/pdb2pqr/residues/4PH.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,085 copying moleculekit/share/pdb2pqr/residues/4PQ.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,086 copying moleculekit/share/pdb2pqr/residues/4PQ.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,087 copying moleculekit/share/pdb2pqr/residues/5JP.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,087 copying moleculekit/share/pdb2pqr/residues/5JP.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,088 copying moleculekit/share/pdb2pqr/residues/AA4.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,088 copying moleculekit/share/pdb2pqr/residues/AA4.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,089 copying moleculekit/share/pdb2pqr/residues/ABA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,089 copying moleculekit/share/pdb2pqr/residues/ABA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,090 copying moleculekit/share/pdb2pqr/residues/AHP.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,090 copying moleculekit/share/pdb2pqr/residues/AHP.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,091 copying moleculekit/share/pdb2pqr/residues/ALC.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,091 copying moleculekit/share/pdb2pqr/residues/ALC.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,092 copying moleculekit/share/pdb2pqr/residues/ALN.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,092 copying moleculekit/share/pdb2pqr/residues/ALN.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,093 copying moleculekit/share/pdb2pqr/residues/ALY.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,094 copying moleculekit/share/pdb2pqr/residues/ALY.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,094 copying moleculekit/share/pdb2pqr/residues/APD.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,095 copying moleculekit/share/pdb2pqr/residues/APD.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,095 copying moleculekit/share/pdb2pqr/residues/BB8.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,096 copying moleculekit/share/pdb2pqr/residues/BB8.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,096 copying moleculekit/share/pdb2pqr/residues/BCS.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,097 copying moleculekit/share/pdb2pqr/residues/BCS.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,097 copying moleculekit/share/pdb2pqr/residues/BTK.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,098 copying moleculekit/share/pdb2pqr/residues/BTK.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,098 copying moleculekit/share/pdb2pqr/residues/CCS.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,099 copying moleculekit/share/pdb2pqr/residues/CCS.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,099 copying moleculekit/share/pdb2pqr/residues/CGU.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,100 copying moleculekit/share/pdb2pqr/residues/CGU.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,100 copying moleculekit/share/pdb2pqr/residues/CSA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,101 copying moleculekit/share/pdb2pqr/residues/CSA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,101 copying moleculekit/share/pdb2pqr/residues/CSO.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,102 copying moleculekit/share/pdb2pqr/residues/CSO.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,102 copying moleculekit/share/pdb2pqr/residues/CSP.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,103 copying moleculekit/share/pdb2pqr/residues/CSP.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,103 copying moleculekit/share/pdb2pqr/residues/CSS.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,104 copying moleculekit/share/pdb2pqr/residues/CSS.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,104 copying moleculekit/share/pdb2pqr/residues/D4P.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,105 copying moleculekit/share/pdb2pqr/residues/D4P.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,105 copying moleculekit/share/pdb2pqr/residues/DA2.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,106 copying moleculekit/share/pdb2pqr/residues/DA2.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,107 copying moleculekit/share/pdb2pqr/residues/DAB.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,107 copying moleculekit/share/pdb2pqr/residues/DAB.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,108 copying moleculekit/share/pdb2pqr/residues/DAH.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,108 copying moleculekit/share/pdb2pqr/residues/DAH.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,109 copying moleculekit/share/pdb2pqr/residues/DPP.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,110 copying moleculekit/share/pdb2pqr/residues/DPP.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,110 copying moleculekit/share/pdb2pqr/residues/ESC.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,111 copying moleculekit/share/pdb2pqr/residues/ESC.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,111 copying moleculekit/share/pdb2pqr/residues/FGL.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,112 copying moleculekit/share/pdb2pqr/residues/FGL.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,112 copying moleculekit/share/pdb2pqr/residues/GHG.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,113 copying moleculekit/share/pdb2pqr/residues/GHG.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,113 copying moleculekit/share/pdb2pqr/residues/GME.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,114 copying moleculekit/share/pdb2pqr/residues/GME.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,114 copying moleculekit/share/pdb2pqr/residues/GNC.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,115 copying moleculekit/share/pdb2pqr/residues/GNC.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,116 copying moleculekit/share/pdb2pqr/residues/HHK.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,116 copying moleculekit/share/pdb2pqr/residues/HHK.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,117 copying moleculekit/share/pdb2pqr/residues/HLU.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,120 copying moleculekit/share/pdb2pqr/residues/HLU.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,123 copying moleculekit/share/pdb2pqr/residues/HLX.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,125 copying moleculekit/share/pdb2pqr/residues/HLX.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,129 copying moleculekit/share/pdb2pqr/residues/HOX.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,133 copying moleculekit/share/pdb2pqr/residues/HOX.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,137 copying moleculekit/share/pdb2pqr/residues/HPE.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,141 copying moleculekit/share/pdb2pqr/residues/HPE.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,144 copying moleculekit/share/pdb2pqr/residues/HQA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,147 copying moleculekit/share/pdb2pqr/residues/HQA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,150 copying moleculekit/share/pdb2pqr/residues/HTR.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,152 copying moleculekit/share/pdb2pqr/residues/HTR.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,156 copying moleculekit/share/pdb2pqr/residues/HYP.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,159 copying moleculekit/share/pdb2pqr/residues/HYP.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,163 copying moleculekit/share/pdb2pqr/residues/I2M.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,165 copying moleculekit/share/pdb2pqr/residues/I2M.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,167 copying moleculekit/share/pdb2pqr/residues/IGL.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,169 copying moleculekit/share/pdb2pqr/residues/IGL.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,172 copying moleculekit/share/pdb2pqr/residues/IIL.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,174 copying moleculekit/share/pdb2pqr/residues/IIL.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,177 copying moleculekit/share/pdb2pqr/residues/IML.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,180 copying moleculekit/share/pdb2pqr/residues/IML.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,182 copying moleculekit/share/pdb2pqr/residues/KYN.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,185 copying moleculekit/share/pdb2pqr/residues/KYN.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,187 copying moleculekit/share/pdb2pqr/residues/LME.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,190 copying moleculekit/share/pdb2pqr/residues/LME.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,192 copying moleculekit/share/pdb2pqr/residues/LMQ.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,194 copying moleculekit/share/pdb2pqr/residues/LMQ.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,198 copying moleculekit/share/pdb2pqr/residues/LYZ.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,200 copying moleculekit/share/pdb2pqr/residues/LYZ.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,203 copying moleculekit/share/pdb2pqr/residues/M3L.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,205 copying moleculekit/share/pdb2pqr/residues/M3L.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,208 copying moleculekit/share/pdb2pqr/residues/ME0.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,211 copying moleculekit/share/pdb2pqr/residues/ME0.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,214 copying moleculekit/share/pdb2pqr/residues/MEA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,216 copying moleculekit/share/pdb2pqr/residues/MEA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,219 copying moleculekit/share/pdb2pqr/residues/MEN.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,222 copying moleculekit/share/pdb2pqr/residues/MEN.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,224 copying moleculekit/share/pdb2pqr/residues/MEQ.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,227 copying moleculekit/share/pdb2pqr/residues/MEQ.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,229 copying moleculekit/share/pdb2pqr/residues/MLE.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,231 copying moleculekit/share/pdb2pqr/residues/MLE.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,234 copying moleculekit/share/pdb2pqr/residues/MLY.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,236 copying moleculekit/share/pdb2pqr/residues/MLY.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,239 copying moleculekit/share/pdb2pqr/residues/MLZ.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,242 copying moleculekit/share/pdb2pqr/residues/MLZ.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,245 copying moleculekit/share/pdb2pqr/residues/MME.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,247 copying moleculekit/share/pdb2pqr/residues/MME.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,250 copying moleculekit/share/pdb2pqr/residues/MMO.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,252 copying moleculekit/share/pdb2pqr/residues/MMO.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,255 copying moleculekit/share/pdb2pqr/residues/MVA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,257 copying moleculekit/share/pdb2pqr/residues/MVA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,259 copying moleculekit/share/pdb2pqr/residues/NAL.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,261 copying moleculekit/share/pdb2pqr/residues/NAL.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,263 copying moleculekit/share/pdb2pqr/residues/NCY.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,265 copying moleculekit/share/pdb2pqr/residues/NCY.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,267 copying moleculekit/share/pdb2pqr/residues/NLE.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,269 copying moleculekit/share/pdb2pqr/residues/NLE.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,271 copying moleculekit/share/pdb2pqr/residues/NVA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,273 copying moleculekit/share/pdb2pqr/residues/NVA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,275 copying moleculekit/share/pdb2pqr/residues/NZC.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,277 copying moleculekit/share/pdb2pqr/residues/NZC.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,279 copying moleculekit/share/pdb2pqr/residues/OCY.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,281 copying moleculekit/share/pdb2pqr/residues/OCY.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,284 copying moleculekit/share/pdb2pqr/residues/OMX.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,286 copying moleculekit/share/pdb2pqr/residues/OMX.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,288 copying moleculekit/share/pdb2pqr/residues/ONL.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,290 copying moleculekit/share/pdb2pqr/residues/ONL.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,292 copying moleculekit/share/pdb2pqr/residues/ORM.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,294 copying moleculekit/share/pdb2pqr/residues/ORM.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,296 copying moleculekit/share/pdb2pqr/residues/P1L.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,298 copying moleculekit/share/pdb2pqr/residues/P1L.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,300 copying moleculekit/share/pdb2pqr/residues/PCA.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,302 copying moleculekit/share/pdb2pqr/residues/PCA.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,304 copying moleculekit/share/pdb2pqr/residues/PRK.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,307 copying moleculekit/share/pdb2pqr/residues/PRK.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,309 copying moleculekit/share/pdb2pqr/residues/PTR.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,311 copying moleculekit/share/pdb2pqr/residues/PTR.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,314 copying moleculekit/share/pdb2pqr/residues/SEP.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,316 copying moleculekit/share/pdb2pqr/residues/SEP.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,318 copying moleculekit/share/pdb2pqr/residues/TPO.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,320 copying moleculekit/share/pdb2pqr/residues/TPO.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,322 copying moleculekit/share/pdb2pqr/residues/TRO.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,324 copying moleculekit/share/pdb2pqr/residues/TRO.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,326 copying moleculekit/share/pdb2pqr/residues/TY2.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,329 copying moleculekit/share/pdb2pqr/residues/TY2.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,331 copying moleculekit/share/pdb2pqr/residues/TYQ.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,333 copying moleculekit/share/pdb2pqr/residues/TYQ.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,335 copying moleculekit/share/pdb2pqr/residues/YCM.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,338 copying moleculekit/share/pdb2pqr/residues/YCM.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,340 copying moleculekit/share/pdb2pqr/residues/YNM.dat -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,342 copying moleculekit/share/pdb2pqr/residues/YNM.xml -> build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues 2024-03-01T15:33:48,344 creating build/lib.linux-armv7l-cpython-311/moleculekit/tmalign 2024-03-01T15:33:48,345 copying moleculekit/tmalign/tmalign_util.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/tmalign 2024-03-01T15:33:48,369 copying moleculekit/tmalign/tmalign_util.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/tmalign 2024-03-01T15:33:48,371 copying moleculekit/tmalign/tmalignlib.pxd -> build/lib.linux-armv7l-cpython-311/moleculekit/tmalign 2024-03-01T15:33:48,373 creating build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/include 2024-03-01T15:33:48,374 copying moleculekit/tmalign/include/TMAlign.h -> build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/include 2024-03-01T15:33:48,376 creating build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/src 2024-03-01T15:33:48,377 copying moleculekit/tmalign/src/TMAlign.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/src 2024-03-01T15:33:48,383 creating build/lib.linux-armv7l-cpython-311/moleculekit/wrapping 2024-03-01T15:33:48,384 copying moleculekit/wrapping/wrapping.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/wrapping 2024-03-01T15:33:48,414 copying moleculekit/wrapping/wrapping.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/wrapping 2024-03-01T15:33:48,416 creating build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi 2024-03-01T15:33:48,417 copying moleculekit/interactions/cationpi/cationpi.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi 2024-03-01T15:33:48,442 copying moleculekit/interactions/cationpi/cationpi.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi 2024-03-01T15:33:48,444 creating build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds 2024-03-01T15:33:48,445 copying moleculekit/interactions/hbonds/hbonds.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds 2024-03-01T15:33:48,484 copying moleculekit/interactions/hbonds/hbonds.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds 2024-03-01T15:33:48,489 creating build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi 2024-03-01T15:33:48,491 copying moleculekit/interactions/pipi/pipi.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi 2024-03-01T15:33:48,792 copying moleculekit/interactions/pipi/pipi.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi 2024-03-01T15:33:48,796 creating build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole 2024-03-01T15:33:48,798 copying moleculekit/interactions/sigmahole/sigmahole.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole 2024-03-01T15:33:48,857 copying moleculekit/interactions/sigmahole/sigmahole.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole 2024-03-01T15:33:48,861 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos 2024-03-01T15:33:48,862 copying moleculekit/fileformats/binpos/binpos.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos 2024-03-01T15:33:48,894 copying moleculekit/fileformats/binpos/binpos.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos 2024-03-01T15:33:48,898 copying moleculekit/fileformats/binpos/binposlib.pxd -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos 2024-03-01T15:33:48,901 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include 2024-03-01T15:33:48,903 copying moleculekit/fileformats/binpos/include/binposplugin.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include 2024-03-01T15:33:48,908 copying moleculekit/fileformats/binpos/include/largefiles.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include 2024-03-01T15:33:49,128 copying moleculekit/fileformats/binpos/include/molfile_plugin.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include 2024-03-01T15:33:49,131 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/src 2024-03-01T15:33:49,133 copying moleculekit/fileformats/binpos/src/binposplugin.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/src 2024-03-01T15:33:49,136 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd 2024-03-01T15:33:49,137 copying moleculekit/fileformats/dcd/dcd.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd 2024-03-01T15:33:49,158 copying moleculekit/fileformats/dcd/dcd.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd 2024-03-01T15:33:49,161 copying moleculekit/fileformats/dcd/dcdlib.pxd -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd 2024-03-01T15:33:49,163 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include 2024-03-01T15:33:49,164 copying moleculekit/fileformats/dcd/include/dcdplugin.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include 2024-03-01T15:33:49,167 copying moleculekit/fileformats/dcd/include/endianswap.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include 2024-03-01T15:33:49,170 copying moleculekit/fileformats/dcd/include/fastio.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include 2024-03-01T15:33:49,173 copying moleculekit/fileformats/dcd/include/largefiles.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include 2024-03-01T15:33:49,176 copying moleculekit/fileformats/dcd/include/molfile_plugin.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include 2024-03-01T15:33:49,181 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/src 2024-03-01T15:33:49,183 copying moleculekit/fileformats/dcd/src/dcdplugin.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/src 2024-03-01T15:33:49,189 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,192 copying moleculekit/fileformats/xtc/trr.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,234 copying moleculekit/fileformats/xtc/trr.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,239 copying moleculekit/fileformats/xtc/trrlib.pxd -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,242 copying moleculekit/fileformats/xtc/xdrlib.pxd -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,244 copying moleculekit/fileformats/xtc/xtc.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,282 copying moleculekit/fileformats/xtc/xtc.pyx -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,286 copying moleculekit/fileformats/xtc/xtclib.pxd -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:33:49,291 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,292 copying moleculekit/fileformats/xtc/include/trr_header.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,295 copying moleculekit/fileformats/xtc/include/xdr_seek.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,299 copying moleculekit/fileformats/xtc/include/xdrfile.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,302 copying moleculekit/fileformats/xtc/include/xdrfile_trr.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,305 copying moleculekit/fileformats/xtc/include/xdrfile_xtc.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,308 copying moleculekit/fileformats/xtc/include/xtc.h -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include 2024-03-01T15:33:49,311 creating build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:33:49,313 copying moleculekit/fileformats/xtc/src/xdr_seek.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:33:49,317 copying moleculekit/fileformats/xtc/src/xdrfile.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:33:49,538 copying moleculekit/fileformats/xtc/src/xdrfile_trr.c -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:33:49,541 copying moleculekit/fileformats/xtc/src/xdrfile_xtc.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:33:49,543 copying moleculekit/fileformats/xtc/src/xtc.cpp -> build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:33:49,555 UPDATING build/lib.linux-armv7l-cpython-311/moleculekit/_version.py 2024-03-01T15:33:49,556 set build/lib.linux-armv7l-cpython-311/moleculekit/_version.py to '1.8.26' 2024-03-01T15:33:49,556 running build_ext 2024-03-01T15:33:49,566 building 'moleculekit.interactions.hbonds' extension 2024-03-01T15:33:49,567 creating build/temp.linux-armv7l-cpython-311 2024-03-01T15:33:49,568 creating build/temp.linux-armv7l-cpython-311/moleculekit 2024-03-01T15:33:49,569 creating build/temp.linux-armv7l-cpython-311/moleculekit/interactions 2024-03-01T15:33:49,570 creating build/temp.linux-armv7l-cpython-311/moleculekit/interactions/hbonds 2024-03-01T15:33:49,571 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/interactions/hbonds/hbonds.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/interactions/hbonds/hbonds.o -O3 2024-03-01T15:33:50,188 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:33:50,188 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:33:50,189 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:33:50,190 from moleculekit/interactions/hbonds/hbonds.cpp:1230: 2024-03-01T15:33:50,190 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:33:50,191 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:33:50,192 | ^~~~~~~ 2024-03-01T15:34:18,480 In function ‘PyObject* __pyx_pf_11moleculekit_12interactions_6hbonds_calculate(PyObject*, PyArrayObject*, PyArrayObject*, PyArrayObject*, PyArrayObject*, PyArrayObject*, PyArrayObject*, float, float, bool, bool)’, 2024-03-01T15:34:18,480 inlined from ‘PyObject* __pyx_pw_11moleculekit_12interactions_6hbonds_1calculate(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’ at moleculekit/interactions/hbonds/hbonds.cpp:19971:68: 2024-03-01T15:34:18,481 moleculekit/interactions/hbonds/hbonds.cpp:21001:52: warning: ‘__pyx_v_d_idx_h’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:34:18,482 21001 | (__pyx_v_results[__pyx_v_f]).push_back(__pyx_v_d_idx_h); 2024-03-01T15:34:18,482 | ^~~~~~~~~~~~~~~ 2024-03-01T15:34:18,483 moleculekit/interactions/hbonds/hbonds.cpp: In function ‘PyObject* __pyx_pw_11moleculekit_12interactions_6hbonds_1calculate(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’: 2024-03-01T15:34:18,484 moleculekit/interactions/hbonds/hbonds.cpp:20014:57: note: ‘__pyx_v_d_idx_h’ was declared here 2024-03-01T15:34:18,484 20014 | __pyx_t_11moleculekit_12interactions_6hbonds_UINT32_t __pyx_v_d_idx_h; 2024-03-01T15:34:18,485 | ^~~~~~~~~~~~~~~ 2024-03-01T15:34:21,507 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/interactions/hbonds/hbonds.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:34:21,796 building 'moleculekit.interactions.pipi' extension 2024-03-01T15:34:21,797 creating build/temp.linux-armv7l-cpython-311/moleculekit/interactions/pipi 2024-03-01T15:34:21,797 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/interactions/pipi/pipi.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/interactions/pipi/pipi.o -O3 2024-03-01T15:34:22,105 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:34:22,105 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:34:22,106 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:34:22,106 from moleculekit/interactions/pipi/pipi.cpp:1230: 2024-03-01T15:34:22,107 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:34:22,107 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:34:22,108 | ^~~~~~~ 2024-03-01T15:34:55,128 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/interactions/pipi/pipi.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:34:55,413 building 'moleculekit.interactions.cationpi' extension 2024-03-01T15:34:55,414 creating build/temp.linux-armv7l-cpython-311/moleculekit/interactions/cationpi 2024-03-01T15:34:55,414 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/interactions/cationpi/cationpi.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/interactions/cationpi/cationpi.o -O3 2024-03-01T15:34:55,722 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:34:55,723 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:34:55,723 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:34:55,724 from moleculekit/interactions/cationpi/cationpi.cpp:1230: 2024-03-01T15:34:55,724 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:34:55,725 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:34:55,726 | ^~~~~~~ 2024-03-01T15:35:28,082 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/interactions/cationpi/cationpi.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:35:28,371 building 'moleculekit.interactions.sigmahole' extension 2024-03-01T15:35:28,372 creating build/temp.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole 2024-03-01T15:35:28,374 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/interactions/sigmahole/sigmahole.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole/sigmahole.o -O3 2024-03-01T15:35:28,714 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:35:28,715 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:35:28,715 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:35:28,716 from moleculekit/interactions/sigmahole/sigmahole.cpp:1230: 2024-03-01T15:35:28,716 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:35:28,717 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:35:28,717 | ^~~~~~~ 2024-03-01T15:36:00,719 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole/sigmahole.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:36:01,013 building 'moleculekit.wrapping' extension 2024-03-01T15:36:01,014 creating build/temp.linux-armv7l-cpython-311/moleculekit/wrapping 2024-03-01T15:36:01,015 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/wrapping/wrapping.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/wrapping/wrapping.o -O3 2024-03-01T15:36:01,346 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:36:01,347 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:36:01,347 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:36:01,348 from moleculekit/wrapping/wrapping.cpp:1230: 2024-03-01T15:36:01,349 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:36:01,349 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:36:01,350 | ^~~~~~~ 2024-03-01T15:36:33,243 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/wrapping/wrapping.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/wrapping.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:36:33,482 building 'moleculekit.bondguesser_utils' extension 2024-03-01T15:36:33,483 creating build/temp.linux-armv7l-cpython-311/moleculekit/bondguesser_utils 2024-03-01T15:36:33,484 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/bondguesser_utils/bondguesser_utils.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/bondguesser_utils/bondguesser_utils.o -O3 2024-03-01T15:36:33,870 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:36:33,871 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:36:33,871 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:36:33,872 from moleculekit/bondguesser_utils/bondguesser_utils.cpp:1230: 2024-03-01T15:36:33,873 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:36:33,873 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:36:33,874 | ^~~~~~~ 2024-03-01T15:36:36,212 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)’: 2024-03-01T15:36:36,214 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19783:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} [-Wsign-compare] 2024-03-01T15:36:36,216 19783 | for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { 2024-03-01T15:36:36,218 | ~~~~~~~~~~^~~~~~~~~~~ 2024-03-01T15:36:36,220 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19795:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} [-Wsign-compare] 2024-03-01T15:36:36,222 19795 | for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { 2024-03-01T15:36:36,223 | ~~~~~~~~~~^~~~~~~~~~~ 2024-03-01T15:36:36,225 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19807:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} [-Wsign-compare] 2024-03-01T15:36:36,227 19807 | for (__pyx_t_9 = 0; __pyx_t_9 < __pyx_t_8; __pyx_t_9+=1) { 2024-03-01T15:36:36,229 | ~~~~~~~~~~^~~~~~~~~~~ 2024-03-01T15:36:36,231 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19846:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,234 19846 | __pyx_t_12 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-03-01T15:36:36,235 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,237 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19885:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,239 19885 | __pyx_t_12 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-03-01T15:36:36,242 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,244 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19924:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,246 19924 | __pyx_t_12 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,248 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,252 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19963:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,254 19963 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-03-01T15:36:36,257 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,259 moleculekit/bondguesser_utils/bondguesser_utils.cpp:19969:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,261 19969 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-03-01T15:36:36,263 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,265 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20010:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,268 20010 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-03-01T15:36:36,270 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,272 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20016:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,274 20016 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,276 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,278 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20057:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,280 20057 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-03-01T15:36:36,282 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,285 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20063:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,287 20063 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,288 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,291 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20104:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,293 20104 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-03-01T15:36:36,295 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,297 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20157:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,299 20157 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,301 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,303 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20204:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,306 20204 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,307 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,309 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20245:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,311 20245 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-03-01T15:36:36,313 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,316 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20251:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,318 20251 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-03-01T15:36:36,322 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,324 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20257:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,326 20257 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,328 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,329 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20304:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,331 20304 | __pyx_t_13 = (__pyx_v_yi < (__pyx_v_yboxes - 1)); 2024-03-01T15:36:36,333 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,335 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20310:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,337 20310 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,339 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,341 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20351:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,343 20351 | __pyx_t_13 = (__pyx_v_xi < (__pyx_v_xboxes - 1)); 2024-03-01T15:36:36,345 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,347 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20363:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,348 20363 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,348 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,349 moleculekit/bondguesser_utils/bondguesser_utils.cpp:20416:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 2024-03-01T15:36:36,349 20416 | __pyx_t_13 = (__pyx_v_zi < (__pyx_v_zboxes - 1)); 2024-03-01T15:36:36,350 | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,351 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)’: 2024-03-01T15:36:36,352 moleculekit/bondguesser_utils/bondguesser_utils.cpp:21038:37: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:36:36,353 21038 | __pyx_t_6 = (__pyx_v_boxneigh == __pyx_v_n_boxes); 2024-03-01T15:36:36,354 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ 2024-03-01T15:36:36,355 moleculekit/bondguesser_utils/bondguesser_utils.cpp:21075:37: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_17bondguesser_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:36:36,356 21075 | __pyx_t_6 = (__pyx_v_boxneigh == __pyx_v_boxidx); 2024-03-01T15:36:36,356 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2024-03-01T15:37:07,836 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/bondguesser_utils/bondguesser_utils.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:37:08,164 building 'moleculekit.atomselect_utils' extension 2024-03-01T15:37:08,166 creating build/temp.linux-armv7l-cpython-311/moleculekit/atomselect_utils 2024-03-01T15:37:08,166 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/atomselect_utils/atomselect_utils.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/atomselect_utils/atomselect_utils.o -O3 2024-03-01T15:37:08,499 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:37:08,499 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:37:08,500 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:37:08,500 from moleculekit/atomselect_utils/atomselect_utils.cpp:1247: 2024-03-01T15:37:08,501 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:37:08,501 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:37:08,502 | ^~~~~~~ 2024-03-01T15:37:12,914 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 >&)’: 2024-03-01T15:37:12,915 moleculekit/atomselect_utils/atomselect_utils.cpp:23237:161: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_16atomselect_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:37:12,916 23237 | __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); 2024-03-01T15:37:12,917 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ 2024-03-01T15:37:12,922 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 >&)’: 2024-03-01T15:37:12,922 moleculekit/atomselect_utils/atomselect_utils.cpp:23489:163: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_16atomselect_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:37:12,923 23489 | __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); 2024-03-01T15:37:12,924 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-03-01T15:37:12,929 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 >&)’: 2024-03-01T15:37:12,930 moleculekit/atomselect_utils/atomselect_utils.cpp:23756:163: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_16atomselect_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:37:12,932 23756 | __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); 2024-03-01T15:37:12,933 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-03-01T15:37:47,180 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/atomselect_utils/atomselect_utils.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:37:47,476 building 'moleculekit.distance_utils' extension 2024-03-01T15:37:47,476 creating build/temp.linux-armv7l-cpython-311/moleculekit/distance_utils 2024-03-01T15:37:47,477 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/distance_utils/distance_utils.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/distance_utils/distance_utils.o -O3 2024-03-01T15:37:47,783 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:37:47,784 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:37:47,784 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:37:47,785 from moleculekit/distance_utils/distance_utils.cpp:1230: 2024-03-01T15:37:47,785 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:37:47,786 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:37:47,787 | ^~~~~~~ 2024-03-01T15:37:50,498 moleculekit/distance_utils/distance_utils.cpp: In function ‘PyObject* __pyx_pf_11moleculekit_14distance_utils_2get_collisions(PyObject*, __Pyx_memviewslice, __Pyx_memviewslice, float)’: 2024-03-01T15:37:50,542 moleculekit/distance_utils/distance_utils.cpp:21341:33: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_14distance_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:37:50,543 21341 | for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { 2024-03-01T15:37:50,544 | ~~~~~~~~~~^~~~~~~~~~~ 2024-03-01T15:37:50,545 moleculekit/distance_utils/distance_utils.cpp:21353:35: warning: comparison of integer expressions of different signedness: ‘__pyx_t_11moleculekit_14distance_utils_UINT32_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 2024-03-01T15:37:50,546 21353 | for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) { 2024-03-01T15:37:50,605 | ~~~~~~~~~~^~~~~~~~~~~ 2024-03-01T15:38:28,016 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/distance_utils/distance_utils.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:38:28,362 building 'moleculekit.occupancy_utils' extension 2024-03-01T15:38:28,363 creating build/temp.linux-armv7l-cpython-311/moleculekit/occupancy_utils 2024-03-01T15:38:28,364 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/occupancy_utils/occupancy_utils.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/occupancy_utils/occupancy_utils.o -O3 2024-03-01T15:38:29,667 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:38:29,667 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:38:29,668 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:38:29,669 from moleculekit/occupancy_utils/occupancy_utils.cpp:1230: 2024-03-01T15:38:29,670 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:38:29,670 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:38:29,671 | ^~~~~~~ 2024-03-01T15:38:58,450 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/occupancy_utils/occupancy_utils.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:38:58,652 building 'moleculekit.cython_utils' extension 2024-03-01T15:38:58,653 creating build/temp.linux-armv7l-cpython-311/moleculekit/cython_utils 2024-03-01T15:38:58,653 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/cython_utils/cython_utils.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/cython_utils/cython_utils.o -O3 2024-03-01T15:38:59,014 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:38:59,015 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:38:59,016 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:38:59,017 from moleculekit/cython_utils/cython_utils.cpp:1230: 2024-03-01T15:38:59,017 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:38:59,018 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:38:59,018 | ^~~~~~~ 2024-03-01T15:39:28,911 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/cython_utils/cython_utils.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:39:29,190 building 'moleculekit.xtc' extension 2024-03-01T15:39:29,191 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats 2024-03-01T15:39:29,192 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc 2024-03-01T15:39:29,193 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src 2024-03-01T15:39:29,194 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -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-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/fileformats/xtc/src/xdrfile.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdrfile.o 2024-03-01T15:39:29,840 moleculekit/fileformats/xtc/src/xdrfile.cpp:66:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,841 66 | "OK", 2024-03-01T15:39:29,841 | ^~~~ 2024-03-01T15:39:29,842 moleculekit/fileformats/xtc/src/xdrfile.cpp:67:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,842 67 | "Header", 2024-03-01T15:39:29,843 | ^~~~~~~~ 2024-03-01T15:39:29,843 moleculekit/fileformats/xtc/src/xdrfile.cpp:68:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,844 68 | "String", 2024-03-01T15:39:29,845 | ^~~~~~~~ 2024-03-01T15:39:29,845 moleculekit/fileformats/xtc/src/xdrfile.cpp:69:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,846 69 | "Double", 2024-03-01T15:39:29,846 | ^~~~~~~~ 2024-03-01T15:39:29,847 moleculekit/fileformats/xtc/src/xdrfile.cpp:70:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,847 70 | "Integer", 2024-03-01T15:39:29,848 | ^~~~~~~~~ 2024-03-01T15:39:29,849 moleculekit/fileformats/xtc/src/xdrfile.cpp:71:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,849 71 | "Float", 2024-03-01T15:39:29,850 | ^~~~~~~ 2024-03-01T15:39:29,851 moleculekit/fileformats/xtc/src/xdrfile.cpp:72:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,851 72 | "Unsigned integer", 2024-03-01T15:39:29,852 | ^~~~~~~~~~~~~~~~~~ 2024-03-01T15:39:29,853 moleculekit/fileformats/xtc/src/xdrfile.cpp:73:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,853 73 | "Compressed 3D coordinate", 2024-03-01T15:39:29,854 | ^~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:39:29,855 moleculekit/fileformats/xtc/src/xdrfile.cpp:74:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,856 74 | "Closing file", 2024-03-01T15:39:29,856 | ^~~~~~~~~~~~~~ 2024-03-01T15:39:29,857 moleculekit/fileformats/xtc/src/xdrfile.cpp:75:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,858 75 | "Magic number", 2024-03-01T15:39:29,858 | ^~~~~~~~~~~~~~ 2024-03-01T15:39:29,859 moleculekit/fileformats/xtc/src/xdrfile.cpp:76:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,860 76 | "Not enough memory", 2024-03-01T15:39:29,860 | ^~~~~~~~~~~~~~~~~~~ 2024-03-01T15:39:29,861 moleculekit/fileformats/xtc/src/xdrfile.cpp:77:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,862 77 | "End of file", 2024-03-01T15:39:29,862 | ^~~~~~~~~~~~~ 2024-03-01T15:39:29,863 moleculekit/fileformats/xtc/src/xdrfile.cpp:78:9: warning: ISO C++ forbids converting a string constant to ‘char*’ [-Wwrite-strings] 2024-03-01T15:39:29,864 78 | "File not found" 2024-03-01T15:39:29,864 | ^~~~~~~~~~~~~~~~ 2024-03-01T15:39:29,865 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int sizeofint(int)’: 2024-03-01T15:39:29,866 moleculekit/fileformats/xtc/src/xdrfile.cpp:459:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,866 459 | while (size >= num && num_of_bits < 32) 2024-03-01T15:39:29,867 | ~~~~~^~~~~~ 2024-03-01T15:39:29,867 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int sizeofints(int, unsigned int*)’: 2024-03-01T15:39:29,868 moleculekit/fileformats/xtc/src/xdrfile.cpp:505:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,868 505 | while (bytes[num_of_bytes] >= num) 2024-03-01T15:39:29,869 | ~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-03-01T15:39:29,869 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘void encodeints(int*, int, int, unsigned int*, unsigned int*)’: 2024-03-01T15:39:29,870 moleculekit/fileformats/xtc/src/xdrfile.cpp:614:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,870 614 | if (num_of_bits >= num_of_bytes * 8) 2024-03-01T15:39:29,871 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ 2024-03-01T15:39:29,872 moleculekit/fileformats/xtc/src/xdrfile.cpp:616:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,872 616 | for (i = 0; i < num_of_bytes; i++) 2024-03-01T15:39:29,873 | ~~^~~~~~~~~~~~~~ 2024-03-01T15:39:29,874 moleculekit/fileformats/xtc/src/xdrfile.cpp:624:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,874 624 | for (i = 0; i < num_of_bytes-1; i++) 2024-03-01T15:39:29,875 | ~~^~~~~~~~~~~~~~~~ 2024-03-01T15:39:29,876 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int decodebits(int*, int)’: 2024-03-01T15:39:29,876 moleculekit/fileformats/xtc/src/xdrfile.cpp:664:30: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,877 664 | if (lastbits < num_of_bits) 2024-03-01T15:39:29,878 | ~~~~~~~~~^~~~~~~~~~~~~ 2024-03-01T15:39:29,878 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_decompress_coord_float(float*, int*, float*, XDRFILE*)’: 2024-03-01T15:39:29,879 moleculekit/fileformats/xtc/src/xdrfile.cpp:785:17: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,880 785 | if(size3>xfp->buf1size) 2024-03-01T15:39:29,880 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:39:29,881 moleculekit/fileformats/xtc/src/xdrfile.cpp:842:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,882 842 | maxidx = (LASTIDX= size3 ) { return -1; } 2024-03-01T15:39:29,884 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:39:29,885 moleculekit/fileformats/xtc/src/xdrfile.cpp:935:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,886 935 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:39:29,886 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:39:29,887 moleculekit/fileformats/xtc/src/xdrfile.cpp:938:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,887 938 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:39:29,888 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:39:29,888 moleculekit/fileformats/xtc/src/xdrfile.cpp:945:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,889 945 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:39:29,889 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:39:29,890 moleculekit/fileformats/xtc/src/xdrfile.cpp:948:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,891 948 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:39:29,891 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:39:29,892 moleculekit/fileformats/xtc/src/xdrfile.cpp:951:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,892 951 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:39:29,893 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:39:29,893 moleculekit/fileformats/xtc/src/xdrfile.cpp:756:24: warning: variable ‘minidx’ set but not used [-Wunused-but-set-variable] 2024-03-01T15:39:29,894 756 | int smallidx, minidx, maxidx; 2024-03-01T15:39:29,894 | ^~~~~~ 2024-03-01T15:39:29,895 moleculekit/fileformats/xtc/src/xdrfile.cpp:759:32: warning: variable ‘larger’ set but not used [-Wunused-but-set-variable] 2024-03-01T15:39:29,895 759 | int smallnum, smaller, larger, i, is_smaller, run; 2024-03-01T15:39:29,896 | ^~~~~~ 2024-03-01T15:39:29,897 moleculekit/fileformats/xtc/src/xdrfile.cpp:763:13: warning: unused variable ‘errval’ [-Wunused-variable] 2024-03-01T15:39:29,897 763 | int errval=1; 2024-03-01T15:39:29,898 | ^~~~~~ 2024-03-01T15:39:29,898 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_compress_coord_float(float*, int, float, XDRFILE*)’: 2024-03-01T15:39:29,899 moleculekit/fileformats/xtc/src/xdrfile.cpp:1011:17: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,900 1011 | if(size3>xfp->buf1size) 2024-03-01T15:39:29,900 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:39:29,901 moleculekit/fileformats/xtc/src/xdrfile.cpp:1068:41: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,901 1068 | countmjh++; if( countmjh> size3) { return -1; } 2024-03-01T15:39:29,902 | ~~~~~~~~^~~~~~~ 2024-03-01T15:39:29,903 moleculekit/fileformats/xtc/src/xdrfile.cpp:1084:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,903 1084 | countmjh++; if( countmjh> size3) { return -1; } 2024-03-01T15:39:29,904 | ~~~~~~~~^~~~~~~ 2024-03-01T15:39:29,905 moleculekit/fileformats/xtc/src/xdrfile.cpp:1098:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,905 1098 | countmjh++; if( countmjh> size3) { return -1; } 2024-03-01T15:39:29,906 | ~~~~~~~~^~~~~~~ 2024-03-01T15:39:29,907 moleculekit/fileformats/xtc/src/xdrfile.cpp:1137:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,907 1137 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) 2024-03-01T15:39:29,908 | ^ 2024-03-01T15:39:29,908 moleculekit/fileformats/xtc/src/xdrfile.cpp:1143:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,909 1143 | maxidx = (LASTIDXxfp->buf1size) 2024-03-01T15:39:29,915 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:39:29,916 moleculekit/fileformats/xtc/src/xdrfile.cpp:1377:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,916 1377 | maxidx = (LASTIDXxfp->buf1size) { 2024-03-01T15:39:29,925 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:39:29,926 moleculekit/fileformats/xtc/src/xdrfile.cpp:1628:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:39:29,926 1628 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) { 2024-03-01T15:39:29,927 | ^ 2024-03-01T15:39:29,928 moleculekit/fileformats/xtc/src/xdrfile.cpp:1633:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:39:29,928 1633 | maxidx = (LASTIDX= num && num_of_bits < 32) 2024-03-01T15:40:00,188 | ~~~~~^~~~~~ 2024-03-01T15:40:00,189 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int sizeofints(int, unsigned int*)’: 2024-03-01T15:40:00,190 moleculekit/fileformats/xtc/src/xdrfile.cpp:505:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,191 505 | while (bytes[num_of_bytes] >= num) 2024-03-01T15:40:00,191 | ~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-03-01T15:40:00,193 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘void encodeints(int*, int, int, unsigned int*, unsigned int*)’: 2024-03-01T15:40:00,193 moleculekit/fileformats/xtc/src/xdrfile.cpp:614:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,194 614 | if (num_of_bits >= num_of_bytes * 8) 2024-03-01T15:40:00,194 | ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:00,195 moleculekit/fileformats/xtc/src/xdrfile.cpp:616:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,195 616 | for (i = 0; i < num_of_bytes; i++) 2024-03-01T15:40:00,196 | ~~^~~~~~~~~~~~~~ 2024-03-01T15:40:00,196 moleculekit/fileformats/xtc/src/xdrfile.cpp:624:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,197 624 | for (i = 0; i < num_of_bytes-1; i++) 2024-03-01T15:40:00,197 | ~~^~~~~~~~~~~~~~~~ 2024-03-01T15:40:00,198 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int decodebits(int*, int)’: 2024-03-01T15:40:00,199 moleculekit/fileformats/xtc/src/xdrfile.cpp:664:30: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,199 664 | if (lastbits < num_of_bits) 2024-03-01T15:40:00,200 | ~~~~~~~~~^~~~~~~~~~~~~ 2024-03-01T15:40:00,202 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_decompress_coord_float(float*, int*, float*, XDRFILE*)’: 2024-03-01T15:40:00,203 moleculekit/fileformats/xtc/src/xdrfile.cpp:785:17: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,204 785 | if(size3>xfp->buf1size) 2024-03-01T15:40:00,205 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:40:00,206 moleculekit/fileformats/xtc/src/xdrfile.cpp:842:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,207 842 | maxidx = (LASTIDX= size3 ) { return -1; } 2024-03-01T15:40:00,212 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:40:00,212 moleculekit/fileformats/xtc/src/xdrfile.cpp:935:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,213 935 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:40:00,214 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:40:00,214 moleculekit/fileformats/xtc/src/xdrfile.cpp:938:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,215 938 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:40:00,215 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:40:00,216 moleculekit/fileformats/xtc/src/xdrfile.cpp:945:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,217 945 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:40:00,218 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:40:00,218 moleculekit/fileformats/xtc/src/xdrfile.cpp:948:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,219 948 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:40:00,220 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:40:00,220 moleculekit/fileformats/xtc/src/xdrfile.cpp:951:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,221 951 | if(countmjh >= size3 ) { return -1; } 2024-03-01T15:40:00,221 | ~~~~~~~~~^~~~~~~~ 2024-03-01T15:40:00,222 moleculekit/fileformats/xtc/src/xdrfile.cpp:756:24: warning: variable ‘minidx’ set but not used [-Wunused-but-set-variable] 2024-03-01T15:40:00,222 756 | int smallidx, minidx, maxidx; 2024-03-01T15:40:00,223 | ^~~~~~ 2024-03-01T15:40:00,223 moleculekit/fileformats/xtc/src/xdrfile.cpp:759:32: warning: variable ‘larger’ set but not used [-Wunused-but-set-variable] 2024-03-01T15:40:00,224 759 | int smallnum, smaller, larger, i, is_smaller, run; 2024-03-01T15:40:00,225 | ^~~~~~ 2024-03-01T15:40:00,225 moleculekit/fileformats/xtc/src/xdrfile.cpp:763:13: warning: unused variable ‘errval’ [-Wunused-variable] 2024-03-01T15:40:00,226 763 | int errval=1; 2024-03-01T15:40:00,226 | ^~~~~~ 2024-03-01T15:40:00,227 moleculekit/fileformats/xtc/src/xdrfile.cpp: In function ‘int xdrfile_compress_coord_float(float*, int, float, XDRFILE*)’: 2024-03-01T15:40:00,228 moleculekit/fileformats/xtc/src/xdrfile.cpp:1011:17: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,228 1011 | if(size3>xfp->buf1size) 2024-03-01T15:40:00,229 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:40:00,230 moleculekit/fileformats/xtc/src/xdrfile.cpp:1068:41: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,230 1068 | countmjh++; if( countmjh> size3) { return -1; } 2024-03-01T15:40:00,231 | ~~~~~~~~^~~~~~~ 2024-03-01T15:40:00,232 moleculekit/fileformats/xtc/src/xdrfile.cpp:1084:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,232 1084 | countmjh++; if( countmjh> size3) { return -1; } 2024-03-01T15:40:00,233 | ~~~~~~~~^~~~~~~ 2024-03-01T15:40:00,233 moleculekit/fileformats/xtc/src/xdrfile.cpp:1098:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,234 1098 | countmjh++; if( countmjh> size3) { return -1; } 2024-03-01T15:40:00,235 | ~~~~~~~~^~~~~~~ 2024-03-01T15:40:00,235 moleculekit/fileformats/xtc/src/xdrfile.cpp:1137:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,236 1137 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) 2024-03-01T15:40:00,236 | ^ 2024-03-01T15:40:00,237 moleculekit/fileformats/xtc/src/xdrfile.cpp:1143:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,238 1143 | maxidx = (LASTIDXxfp->buf1size) 2024-03-01T15:40:00,245 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:40:00,247 moleculekit/fileformats/xtc/src/xdrfile.cpp:1377:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,248 1377 | maxidx = (LASTIDXxfp->buf1size) { 2024-03-01T15:40:00,259 | ~~~~~^~~~~~~~~~~~~~ 2024-03-01T15:40:00,262 moleculekit/fileformats/xtc/src/xdrfile.cpp:1628:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:40:00,263 1628 | while (smallidx < LASTIDX && magicints[smallidx] < mindiff) { 2024-03-01T15:40:00,264 | ^ 2024-03-01T15:40:00,264 moleculekit/fileformats/xtc/src/xdrfile.cpp:1633:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:40:00,265 1633 | maxidx = (LASTIDX= __pyx_pybuffernd_forces.diminfo[2].shape)) __pyx_t_4 = 2; 2024-03-01T15:40:40,199 | ^ 2024-03-01T15:40:40,207 moleculekit/fileformats/xtc/trr.c:10073:21: note: ‘__pyx_pybuffernd_forces.diminfo[2].shape’ was declared here 2024-03-01T15:40:40,208 10073 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces; 2024-03-01T15:40:40,208 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,218 moleculekit/fileformats/xtc/trr.c:11537:19: warning: ‘__pyx_pybuffernd_forces.diminfo[1].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,219 11537 | } else if (unlikely(__pyx_t_30 >= __pyx_pybuffernd_forces.diminfo[1].shape)) __pyx_t_4 = 1; 2024-03-01T15:40:40,219 | ^ 2024-03-01T15:40:40,228 moleculekit/fileformats/xtc/trr.c:10073:21: note: ‘__pyx_pybuffernd_forces.diminfo[1].shape’ was declared here 2024-03-01T15:40:40,229 10073 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces; 2024-03-01T15:40:40,229 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,230 moleculekit/fileformats/xtc/trr.c:2491:95: warning: ‘__pyx_pybuffernd_forces.diminfo[0].strides’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,231 2491 | #define __Pyx_BufPtrCContig3d(type, buf, i0, s0, i1, s1, i2, s2) ((type)((char*)buf + i0 * s0 + i1 * s1) + i2) 2024-03-01T15:40:40,231 | ^ 2024-03-01T15:40:40,240 moleculekit/fileformats/xtc/trr.c:10073:21: note: ‘__pyx_pybuffernd_forces.diminfo[0].strides’ was declared here 2024-03-01T15:40:40,241 10073 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces; 2024-03-01T15:40:40,241 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,251 moleculekit/fileformats/xtc/trr.c:11531:59: warning: ‘__pyx_pybuffernd_forces.diminfo[0].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,252 11531 | __pyx_t_28 += __pyx_pybuffernd_forces.diminfo[0].shape; 2024-03-01T15:40:40,252 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-03-01T15:40:40,261 moleculekit/fileformats/xtc/trr.c:10073:21: note: ‘__pyx_pybuffernd_forces.diminfo[0].shape’ was declared here 2024-03-01T15:40:40,262 10073 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces; 2024-03-01T15:40:40,262 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,272 moleculekit/fileformats/xtc/trr.c:11484:19: warning: ‘__pyx_pybuffernd_vel.diminfo[2].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,272 11484 | } else if (unlikely(__pyx_t_30 >= __pyx_pybuffernd_vel.diminfo[2].shape)) __pyx_t_4 = 2; 2024-03-01T15:40:40,273 | ^ 2024-03-01T15:40:40,282 moleculekit/fileformats/xtc/trr.c:10089:21: note: ‘__pyx_pybuffernd_vel.diminfo[2].shape’ was declared here 2024-03-01T15:40:40,282 10089 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel; 2024-03-01T15:40:40,283 | ^~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,292 moleculekit/fileformats/xtc/trr.c:11480:19: warning: ‘__pyx_pybuffernd_vel.diminfo[1].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,293 11480 | } else if (unlikely(__pyx_t_29 >= __pyx_pybuffernd_vel.diminfo[1].shape)) __pyx_t_4 = 1; 2024-03-01T15:40:40,294 | ^ 2024-03-01T15:40:40,302 moleculekit/fileformats/xtc/trr.c:10089:21: note: ‘__pyx_pybuffernd_vel.diminfo[1].shape’ was declared here 2024-03-01T15:40:40,303 10089 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel; 2024-03-01T15:40:40,304 | ^~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,304 moleculekit/fileformats/xtc/trr.c:2491:95: warning: ‘__pyx_pybuffernd_vel.diminfo[0].strides’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,305 2491 | #define __Pyx_BufPtrCContig3d(type, buf, i0, s0, i1, s1, i2, s2) ((type)((char*)buf + i0 * s0 + i1 * s1) + i2) 2024-03-01T15:40:40,306 | ^ 2024-03-01T15:40:40,314 moleculekit/fileformats/xtc/trr.c:10089:21: note: ‘__pyx_pybuffernd_vel.diminfo[0].strides’ was declared here 2024-03-01T15:40:40,315 10089 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel; 2024-03-01T15:40:40,315 | ^~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,325 moleculekit/fileformats/xtc/trr.c:11474:56: warning: ‘__pyx_pybuffernd_vel.diminfo[0].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,326 11474 | __pyx_t_28 += __pyx_pybuffernd_vel.diminfo[0].shape; 2024-03-01T15:40:40,327 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~ 2024-03-01T15:40:40,335 moleculekit/fileformats/xtc/trr.c:10089:21: note: ‘__pyx_pybuffernd_vel.diminfo[0].shape’ was declared here 2024-03-01T15:40:40,336 10089 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel; 2024-03-01T15:40:40,337 | ^~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,347 moleculekit/fileformats/xtc/trr.c:11873:17: warning: ‘__pyx_pybuffernd_xyz_buffer.diminfo[1].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,347 11873 | } else if (unlikely(__pyx_t_29 >= __pyx_pybuffernd_xyz_buffer.diminfo[1].shape)) __pyx_t_4 = 1; 2024-03-01T15:40:40,348 | ^ 2024-03-01T15:40:40,357 moleculekit/fileformats/xtc/trr.c:10095:21: note: ‘__pyx_pybuffernd_xyz_buffer.diminfo[1].shape’ was declared here 2024-03-01T15:40:40,357 10095 | __Pyx_LocalBuf_ND __pyx_pybuffernd_xyz_buffer; 2024-03-01T15:40:40,358 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,368 moleculekit/fileformats/xtc/trr.c:11869:17: warning: ‘__pyx_pybuffernd_xyz_buffer.diminfo[0].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,369 11869 | } else if (unlikely(__pyx_t_30 >= __pyx_pybuffernd_xyz_buffer.diminfo[0].shape)) __pyx_t_4 = 0; 2024-03-01T15:40:40,369 | ^ 2024-03-01T15:40:40,378 moleculekit/fileformats/xtc/trr.c:10095:21: note: ‘__pyx_pybuffernd_xyz_buffer.diminfo[0].shape’ was declared here 2024-03-01T15:40:40,379 10095 | __Pyx_LocalBuf_ND __pyx_pybuffernd_xyz_buffer; 2024-03-01T15:40:40,379 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,389 moleculekit/fileformats/xtc/trr.c:11714:19: warning: ‘__pyx_pybuffernd_vel_buffer.diminfo[1].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,390 11714 | } else if (unlikely(__pyx_t_35 >= __pyx_pybuffernd_vel_buffer.diminfo[1].shape)) __pyx_t_4 = 1; 2024-03-01T15:40:40,391 | ^ 2024-03-01T15:40:40,399 moleculekit/fileformats/xtc/trr.c:10091:21: note: ‘__pyx_pybuffernd_vel_buffer.diminfo[1].shape’ was declared here 2024-03-01T15:40:40,400 10091 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel_buffer; 2024-03-01T15:40:40,401 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,410 moleculekit/fileformats/xtc/trr.c:11710:19: warning: ‘__pyx_pybuffernd_vel_buffer.diminfo[0].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,411 11710 | } else if (unlikely(__pyx_t_36 >= __pyx_pybuffernd_vel_buffer.diminfo[0].shape)) __pyx_t_4 = 0; 2024-03-01T15:40:40,412 | ^ 2024-03-01T15:40:40,421 moleculekit/fileformats/xtc/trr.c:10091:21: note: ‘__pyx_pybuffernd_vel_buffer.diminfo[0].shape’ was declared here 2024-03-01T15:40:40,421 10091 | __Pyx_LocalBuf_ND __pyx_pybuffernd_vel_buffer; 2024-03-01T15:40:40,422 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,432 moleculekit/fileformats/xtc/trr.c:11766:19: warning: ‘__pyx_pybuffernd_forces_buffer.diminfo[1].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,432 11766 | } else if (unlikely(__pyx_t_36 >= __pyx_pybuffernd_forces_buffer.diminfo[1].shape)) __pyx_t_4 = 1; 2024-03-01T15:40:40,433 | ^ 2024-03-01T15:40:40,442 moleculekit/fileformats/xtc/trr.c:10075:21: note: ‘__pyx_pybuffernd_forces_buffer.diminfo[1].shape’ was declared here 2024-03-01T15:40:40,442 10075 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces_buffer; 2024-03-01T15:40:40,443 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:40,453 moleculekit/fileformats/xtc/trr.c:11762:19: warning: ‘__pyx_pybuffernd_forces_buffer.diminfo[0].shape’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:40:40,453 11762 | } else if (unlikely(__pyx_t_35 >= __pyx_pybuffernd_forces_buffer.diminfo[0].shape)) __pyx_t_4 = 0; 2024-03-01T15:40:40,454 | ^ 2024-03-01T15:40:40,463 moleculekit/fileformats/xtc/trr.c:10075:21: note: ‘__pyx_pybuffernd_forces_buffer.diminfo[0].shape’ was declared here 2024-03-01T15:40:40,464 10075 | __Pyx_LocalBuf_ND __pyx_pybuffernd_forces_buffer; 2024-03-01T15:40:40,464 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-03-01T15:40:47,002 arm-linux-gnueabihf-gcc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdr_seek.o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdrfile.o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdrfile_trr.o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/trr.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/trr.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:40:47,157 building 'moleculekit.dcd' extension 2024-03-01T15:40:47,158 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/dcd 2024-03-01T15:40:47,159 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/src 2024-03-01T15:40:47,160 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -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-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/fileformats/dcd/dcd.c -o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/dcd.o 2024-03-01T15:40:47,551 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:40:47,552 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:40:47,552 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:40:47,553 from moleculekit/fileformats/dcd/dcd.c:1221: 2024-03-01T15:40:47,553 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:40:47,554 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:40:47,555 | ^~~~~~~ 2024-03-01T15:40:48,836 In file included from moleculekit/fileformats/dcd/include/dcdplugin.h:1, 2024-03-01T15:40:48,836 from moleculekit/fileformats/dcd/dcd.c:1227: 2024-03-01T15:40:48,837 moleculekit/fileformats/dcd/include/fastio.h:474:12: warning: ‘fio_write_str’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,838 474 | static int fio_write_str(fio_fd fd, const char *str) { 2024-03-01T15:40:48,839 | ^~~~~~~~~~~~~ 2024-03-01T15:40:48,839 moleculekit/fileformats/dcd/include/fastio.h:470:12: warning: ‘fio_read_int32’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,840 470 | static int fio_read_int32(fio_fd fd, int *i) { 2024-03-01T15:40:48,841 | ^~~~~~~~~~~~~~ 2024-03-01T15:40:48,841 moleculekit/fileformats/dcd/include/fastio.h:466:12: warning: ‘fio_write_int32’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,842 466 | static int fio_write_int32(fio_fd fd, int i) { 2024-03-01T15:40:48,842 | ^~~~~~~~~~~~~~~ 2024-03-01T15:40:48,843 moleculekit/fileformats/dcd/include/fastio.h:457:19: warning: ‘fio_ftell’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,843 457 | static fio_size_t fio_ftell(fio_fd fd) { 2024-03-01T15:40:48,844 | ^~~~~~~~~ 2024-03-01T15:40:48,844 moleculekit/fileformats/dcd/include/fastio.h:450:19: warning: ‘fio_fseek’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,845 450 | static fio_size_t fio_fseek(fio_fd fd, fio_size_t offset, int whence) { 2024-03-01T15:40:48,845 | ^~~~~~~~~ 2024-03-01T15:40:48,846 moleculekit/fileformats/dcd/include/fastio.h:415:19: warning: ‘fio_readv’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,846 415 | static fio_size_t fio_readv(fio_fd fd, const fio_iovec * iov, int iovcnt) { 2024-03-01T15:40:48,847 | ^~~~~~~~~ 2024-03-01T15:40:48,848 moleculekit/fileformats/dcd/include/fastio.h:394:12: warning: ‘fio_fclose’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,848 394 | static int fio_fclose(fio_fd fd) { 2024-03-01T15:40:48,849 | ^~~~~~~~~~ 2024-03-01T15:40:48,850 moleculekit/fileformats/dcd/include/fastio.h:366:12: warning: ‘fio_open’ defined but not used [-Wunused-function] 2024-03-01T15:40:48,851 366 | static int fio_open(const char *filename, int mode, fio_fd *fd) { 2024-03-01T15:40:48,851 | ^~~~~~~~ 2024-03-01T15:41:03,276 moleculekit/fileformats/dcd/dcd.c: In function ‘__pyx_pf_11moleculekit_3dcd_17DCDTrajectoryFile_18read’: 2024-03-01T15:41:03,276 moleculekit/fileformats/dcd/dcd.c:1123:40: warning: ‘__pyx_v_i’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:41:03,277 1123 | #define PyInt_FromLong PyLong_FromLong 2024-03-01T15:41:03,278 | ^~~~~~~~~~~~~~~ 2024-03-01T15:41:03,284 moleculekit/fileformats/dcd/dcd.c:8004:7: note: ‘__pyx_v_i’ was declared here 2024-03-01T15:41:03,285 8004 | int __pyx_v_i; 2024-03-01T15:41:03,286 | ^~~~~~~~~ 2024-03-01T15:41:06,656 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -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-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/fileformats/dcd/src/dcdplugin.c -o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/src/dcdplugin.o 2024-03-01T15:41:06,874 moleculekit/fileformats/dcd/src/dcdplugin.c: In function ‘read_dcdheader’: 2024-03-01T15:41:06,875 moleculekit/fileformats/dcd/src/dcdplugin.c:150:55: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:41:06,875 150 | else if (input_integer[0] == 84 && input_integer[1] == dcdcordmagic) 2024-03-01T15:41:06,876 | ^~ 2024-03-01T15:41:06,877 moleculekit/fileformats/dcd/src/dcdplugin.c:173:54: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:41:06,877 173 | if (input_integer[0] == 84 && input_integer[1] == dcdcordmagic) 2024-03-01T15:41:06,878 | ^~ 2024-03-01T15:41:06,879 moleculekit/fileformats/dcd/src/dcdplugin.c:194:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:41:06,880 194 | if (input_integer[0] != dcdcordmagic) 2024-03-01T15:41:06,880 | ^~ 2024-03-01T15:41:06,881 moleculekit/fileformats/dcd/src/dcdplugin.c:409:47: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:41:06,881 409 | if ((input_integer[0] + input_integer[1]) != ((*N) - (*NAMNF)) * 4) 2024-03-01T15:41:06,882 | ^~ 2024-03-01T15:41:06,882 moleculekit/fileformats/dcd/src/dcdplugin.c:428:47: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 2024-03-01T15:41:06,883 428 | if ((input_integer[0] + input_integer[1]) != ((*N) - (*NAMNF)) * 4) 2024-03-01T15:41:06,883 | ^~ 2024-03-01T15:41:06,886 moleculekit/fileformats/dcd/src/dcdplugin.c: In function ‘read_dcdstep’: 2024-03-01T15:41:06,887 moleculekit/fileformats/dcd/src/dcdplugin.c:651:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:41:06,888 651 | if (tmpbuf[i] != sizeof(float) * N) 2024-03-01T15:41:06,888 | ^~ 2024-03-01T15:41:06,889 moleculekit/fileformats/dcd/src/dcdplugin.c:659:49: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-03-01T15:41:06,889 659 | if ((tmpbuf[2 * i] + tmpbuf[2 * i + 1]) != sizeof(float) * N) 2024-03-01T15:41:06,890 | ^~ 2024-03-01T15:41:06,916 In file included from moleculekit/fileformats/dcd/src/dcdplugin.c:55: 2024-03-01T15:41:06,917 moleculekit/fileformats/dcd/include/endianswap.h: At top level: 2024-03-01T15:41:06,918 moleculekit/fileformats/dcd/include/endianswap.h:96:13: warning: ‘swap2_aligned’ defined but not used [-Wunused-function] 2024-03-01T15:41:06,918 96 | static void swap2_aligned(void *v, long ndata) { 2024-03-01T15:41:06,919 | ^~~~~~~~~~~~~ 2024-03-01T15:41:06,920 moleculekit/fileformats/dcd/include/endianswap.h:32:13: warning: ‘swap2_unaligned’ defined but not used [-Wunused-function] 2024-03-01T15:41:06,920 32 | static void swap2_unaligned(void *v, long ndata) { 2024-03-01T15:41:06,921 | ^~~~~~~~~~~~~~~ 2024-03-01T15:41:06,922 In file included from moleculekit/fileformats/dcd/src/dcdplugin.c:46: 2024-03-01T15:41:06,922 moleculekit/fileformats/dcd/include/fastio.h:474:12: warning: ‘fio_write_str’ defined but not used [-Wunused-function] 2024-03-01T15:41:06,923 474 | static int fio_write_str(fio_fd fd, const char *str) { 2024-03-01T15:41:06,924 | ^~~~~~~~~~~~~ 2024-03-01T15:41:06,924 moleculekit/fileformats/dcd/include/fastio.h:470:12: warning: ‘fio_read_int32’ defined but not used [-Wunused-function] 2024-03-01T15:41:06,925 470 | static int fio_read_int32(fio_fd fd, int *i) { 2024-03-01T15:41:06,926 | ^~~~~~~~~~~~~~ 2024-03-01T15:41:08,204 arm-linux-gnueabihf-gcc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/dcd.o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/src/dcdplugin.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/dcd.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:41:08,330 building 'moleculekit.binpos' extension 2024-03-01T15:41:08,331 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/binpos 2024-03-01T15:41:08,332 creating build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/src 2024-03-01T15:41:08,333 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -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-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/fileformats/binpos/binpos.c -o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/binpos.o 2024-03-01T15:41:08,722 In file included from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1929, 2024-03-01T15:41:08,722 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2024-03-01T15:41:08,723 from /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include/numpy/arrayobject.h:5, 2024-03-01T15:41:08,723 from moleculekit/fileformats/binpos/binpos.c:1221: 2024-03-01T15:41:08,724 /tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-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] 2024-03-01T15:41:08,724 17 | #warning "Using deprecated NumPy API, disable it with " \ 2024-03-01T15:41:08,725 | ^~~~~~~ 2024-03-01T15:41:23,202 In function ‘__pyx_pf_11moleculekit_6binpos_20BINPOSTrajectoryFile_6_read’, 2024-03-01T15:41:23,203 inlined from ‘__pyx_pw_11moleculekit_6binpos_20BINPOSTrajectoryFile_7_read’ at moleculekit/fileformats/binpos/binpos.c:7486:13: 2024-03-01T15:41:23,209 moleculekit/fileformats/binpos/binpos.c:8027:6: warning: ‘__pyx_v_status’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:41:23,210 8027 | if (__pyx_t_1) { 2024-03-01T15:41:23,211 | ^ 2024-03-01T15:41:23,211 moleculekit/fileformats/binpos/binpos.c: In function ‘__pyx_pw_11moleculekit_6binpos_20BINPOSTrajectoryFile_7_read’: 2024-03-01T15:41:23,217 moleculekit/fileformats/binpos/binpos.c:7504:7: note: ‘__pyx_v_status’ was declared here 2024-03-01T15:41:23,217 7504 | int __pyx_v_status; 2024-03-01T15:41:23,218 | ^~~~~~~~~~~~~~ 2024-03-01T15:41:23,219 moleculekit/fileformats/binpos/binpos.c:1123:40: warning: ‘__pyx_v_i’ may be used uninitialized [-Wmaybe-uninitialized] 2024-03-01T15:41:23,219 1123 | #define PyInt_FromLong PyLong_FromLong 2024-03-01T15:41:23,220 | ^~~~~~~~~~~~~~~ 2024-03-01T15:41:23,225 moleculekit/fileformats/binpos/binpos.c:7501:7: note: ‘__pyx_v_i’ was declared here 2024-03-01T15:41:23,226 7501 | int __pyx_v_i; 2024-03-01T15:41:23,226 | ^~~~~~~~~ 2024-03-01T15:41:26,700 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -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-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/fileformats/binpos/src/binposplugin.c -o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/src/binposplugin.o 2024-03-01T15:41:27,031 arm-linux-gnueabihf-gcc -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/binpos.o build/temp.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/src/binposplugin.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/binpos.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:41:27,155 building 'moleculekit.tmalign' extension 2024-03-01T15:41:27,156 creating build/temp.linux-armv7l-cpython-311/moleculekit/tmalign 2024-03-01T15:41:27,157 creating build/temp.linux-armv7l-cpython-311/moleculekit/tmalign/src 2024-03-01T15:41:27,158 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/tmalign -Imoleculekit/tmalign/include/ -Imoleculekit/tmalign/ -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/tmalign/src/TMAlign.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/tmalign/src/TMAlign.o -w 2024-03-01T15:42:01,074 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Imoleculekit/tmalign -Imoleculekit/tmalign/include/ -Imoleculekit/tmalign/ -I/tmp/pip-build-env-56tjx_ps/overlay/local/lib/python3.11/dist-packages/numpy/core/include -I/usr/include/python3.11 -c moleculekit/tmalign/tmalign_util.cpp -o build/temp.linux-armv7l-cpython-311/moleculekit/tmalign/tmalign_util.o -w 2024-03-01T15:42:23,640 In file included from /usr/include/c++/12/vector:70, 2024-03-01T15:42:23,641 from moleculekit/tmalign/tmalign_util.cpp:1245: 2024-03-01T15:42:23,642 /usr/include/c++/12/bits/vector.tcc: In member function ‘void std::vector<_Tp, _Alloc>::_M_realloc_insert(iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator]’: 2024-03-01T15:42:23,642 /usr/include/c++/12/bits/vector.tcc:439:7: note: parameter passing for argument of type ‘std::vector::iterator’ changed in GCC 7.1 2024-03-01T15:42:23,643 439 | vector<_Tp, _Alloc>:: 2024-03-01T15:42:23,643 | ^~~~~~~~~~~~~~~~~~~ 2024-03-01T15:42:24,447 In file included from /usr/include/c++/12/vector:64: 2024-03-01T15:42:24,448 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2024-03-01T15:42:24,449 inlined from ‘PyObject* __pyx_pf_11moleculekit_7tmalign_tmalign(PyObject*, __Pyx_memviewslice, __Pyx_memviewslice, std::string, std::string)’ at moleculekit/tmalign/tmalign_util.cpp:20761:32, 2024-03-01T15:42:24,449 inlined from ‘PyObject* __pyx_pw_11moleculekit_7tmalign_1tmalign(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’ at moleculekit/tmalign/tmalign_util.cpp:20246:52: 2024-03-01T15:42:24,450 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2024-03-01T15:42:24,451 1287 | _M_realloc_insert(end(), __x); 2024-03-01T15:42:24,451 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-03-01T15:42:24,452 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2024-03-01T15:42:24,453 inlined from ‘PyObject* __pyx_pf_11moleculekit_7tmalign_tmalign(PyObject*, __Pyx_memviewslice, __Pyx_memviewslice, std::string, std::string)’ at moleculekit/tmalign/tmalign_util.cpp:20775:33, 2024-03-01T15:42:24,453 inlined from ‘PyObject* __pyx_pw_11moleculekit_7tmalign_1tmalign(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’ at moleculekit/tmalign/tmalign_util.cpp:20246:52: 2024-03-01T15:42:24,454 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2024-03-01T15:42:24,455 1287 | _M_realloc_insert(end(), __x); 2024-03-01T15:42:24,455 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-03-01T15:42:24,456 In member function ‘void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator]’, 2024-03-01T15:42:24,457 inlined from ‘PyObject* __pyx_pf_11moleculekit_7tmalign_tmalign(PyObject*, __Pyx_memviewslice, __Pyx_memviewslice, std::string, std::string)’ at moleculekit/tmalign/tmalign_util.cpp:20860:34, 2024-03-01T15:42:24,457 inlined from ‘PyObject* __pyx_pw_11moleculekit_7tmalign_1tmalign(PyObject*, PyObject* const*, Py_ssize_t, PyObject*)’ at moleculekit/tmalign/tmalign_util.cpp:20246:52: 2024-03-01T15:42:24,458 /usr/include/c++/12/bits/stl_vector.h:1287:28: note: parameter passing for argument of type ‘__gnu_cxx::__normal_iterator >’ changed in GCC 7.1 2024-03-01T15:42:24,459 1287 | _M_realloc_insert(end(), __x); 2024-03-01T15:42:24,459 | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ 2024-03-01T15:42:26,826 arm-linux-gnueabihf-g++ -shared -Wl,-O1 -Wl,-Bsymbolic-functions -g -fwrapv -O2 build/temp.linux-armv7l-cpython-311/moleculekit/tmalign/src/TMAlign.o build/temp.linux-armv7l-cpython-311/moleculekit/tmalign/tmalign_util.o -L/usr/lib/arm-linux-gnueabihf -o build/lib.linux-armv7l-cpython-311/moleculekit/tmalign.cpython-311-arm-linux-gnueabihf.so 2024-03-01T15:42:27,217 UPDATING build/lib.linux-armv7l-cpython-311/moleculekit/_version.py 2024-03-01T15:42:27,217 set build/lib.linux-armv7l-cpython-311/moleculekit/_version.py to '1.8.26' 2024-03-01T15:42:27,218 installing to build/bdist.linux-armv7l/wheel 2024-03-01T15:42:27,218 running install 2024-03-01T15:42:27,241 running install_lib 2024-03-01T15:42:27,246 creating build/bdist.linux-armv7l 2024-03-01T15:42:27,247 creating build/bdist.linux-armv7l/wheel 2024-03-01T15:42:27,249 creating build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,250 creating build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-03-01T15:42:27,251 copying build/lib.linux-armv7l-cpython-311/moleculekit/ply/yacc.py -> build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-03-01T15:42:27,255 copying build/lib.linux-armv7l-cpython-311/moleculekit/ply/lex.py -> build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-03-01T15:42:27,257 copying build/lib.linux-armv7l-cpython-311/moleculekit/ply/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/ply 2024-03-01T15:42:27,259 creating build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,260 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/test_smallmol.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,263 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/util.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,265 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/smallmollib.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,268 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,270 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/test_smallmollib.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,272 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/smallmol.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol 2024-03-01T15:42:27,275 creating build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-03-01T15:42:27,276 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools/restrainedembed.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-03-01T15:42:27,278 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-03-01T15:42:27,280 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools/test_tools.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-03-01T15:42:27,282 copying build/lib.linux-armv7l-cpython-311/moleculekit/smallmol/tools/clustering.py -> build/bdist.linux-armv7l/wheel/moleculekit/smallmol/tools 2024-03-01T15:42:27,285 copying build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,288 creating build/bdist.linux-armv7l/wheel/moleculekit/cython_utils 2024-03-01T15:42:27,289 copying build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils/cython_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/cython_utils 2024-03-01T15:42:27,291 copying build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils/cython_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/cython_utils 2024-03-01T15:42:27,314 copying build/lib.linux-armv7l-cpython-311/moleculekit/viewer.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,316 copying build/lib.linux-armv7l-cpython-311/moleculekit/version.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,318 copying build/lib.linux-armv7l-cpython-311/moleculekit/vmdviewer.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,321 copying build/lib.linux-armv7l-cpython-311/moleculekit/writers.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,324 creating build/bdist.linux-armv7l/wheel/moleculekit/share 2024-03-01T15:42:27,326 creating build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr 2024-03-01T15:42:27,330 creating build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,331 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/AA4.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,332 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/PRK.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,334 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TYQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,336 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MMO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,338 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DA2.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,339 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/SEP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,341 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CGU.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,343 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HTR.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,344 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/LMQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,346 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NAL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,348 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/0BN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,350 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NVA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,352 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/LME.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,353 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MME.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,355 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/BB8.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,357 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/1MH.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,359 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NCY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,360 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/AHP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,362 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DAH.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,364 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/GME.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,366 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MEA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,367 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/IML.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,369 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NVA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,371 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/4PH.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,373 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/4IN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,375 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/03Y.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,376 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2AS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,378 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NZC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,380 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ONL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,381 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MLY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,383 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/0A1.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,385 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ORM.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,387 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/004.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,389 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/FGL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,391 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/I2M.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,392 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TPO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,394 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CCS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,396 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/PCA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,398 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ALN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,400 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,402 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CCS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,403 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2ML.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,405 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/KYN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,407 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/M3L.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,409 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/I2M.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,410 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/YNM.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,412 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DAB.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,413 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ESC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,415 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/GME.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,417 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MEN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,418 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DAB.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,420 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/4PH.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,422 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/0BN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,423 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HQA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,425 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/D4P.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,427 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/IIL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,429 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/GNC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,431 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DAH.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,433 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/004.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,435 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/5JP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,437 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/0AF.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,439 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NAL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,441 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/03Y.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,442 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,444 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,446 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HHK.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,447 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HLX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,449 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ABA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,451 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2MR.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,453 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/LYZ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,455 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HYP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,456 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TPO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,458 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/PTR.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,460 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/OCY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,461 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DPP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,463 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TY2.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,465 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/IGL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,466 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DPP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,468 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/.gitkeep -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,470 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/YCM.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,472 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HQA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,474 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HPE.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,475 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ALY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,477 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TYQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,479 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2AS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,481 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/BTK.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,483 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TRO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,485 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ONL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,486 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/KYN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,488 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/LME.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,490 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/IML.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,492 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MEQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,493 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NCY.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,495 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/FGL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,497 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TY2.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,498 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/APD.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,500 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/4PQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,502 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HOX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,503 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/BCS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,505 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/DA2.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,507 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ORM.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,509 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ALC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,511 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/4PQ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,513 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/AHP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,515 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ALC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,516 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/D4P.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,518 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/GHG.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,520 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/PRK.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,522 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NZC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,524 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/OCY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,526 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MEQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,527 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MLZ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,529 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MLY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,531 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/APD.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,532 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/5JP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,534 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/P1L.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,537 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HLU.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,538 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MLE.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,540 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,542 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MMO.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,544 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/1MH.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,545 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/BCS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,547 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/IGL.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,549 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSP.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,551 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2MR.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,553 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ME0.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,555 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HHK.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,557 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MVA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,559 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MVA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,561 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/0AF.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,563 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/LMQ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,565 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NLE.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,567 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/4IN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,569 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSS.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,570 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/OMX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,572 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,574 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/GNC.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,576 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/BTK.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,578 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/PTR.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,580 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2GX.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,582 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MME.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,583 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HPE.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,585 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HYP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,587 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/SEP.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,589 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HLX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,591 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/YCM.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,593 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HLU.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,595 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MEN.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,597 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MEA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,598 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/YNM.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,600 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HOX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,603 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/PCA.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,605 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ALY.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,606 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2ML.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,608 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/AA4.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,610 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/IIL.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,612 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/TRO.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,614 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/P1L.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,616 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ESC.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,618 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ABA.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,620 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/2GX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,622 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/LYZ.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,624 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/GHG.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,626 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/0A1.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,628 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ME0.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,630 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CSS.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,632 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/CGU.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,634 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/ALN.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,635 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/HTR.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,638 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/M3L.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,639 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/NLE.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,642 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MLE.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,644 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/OMX.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,646 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/MLZ.dat -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,648 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/pdb2pqr/residues/BB8.xml -> build/bdist.linux-armv7l/wheel/moleculekit/share/pdb2pqr/residues 2024-03-01T15:42:27,651 creating build/bdist.linux-armv7l/wheel/moleculekit/share/atomselect 2024-03-01T15:42:27,652 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/atomselect/atomselect.json -> build/bdist.linux-armv7l/wheel/moleculekit/share/atomselect 2024-03-01T15:42:27,654 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/backbone.cif -> build/bdist.linux-armv7l/wheel/moleculekit/share 2024-03-01T15:42:27,655 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/opm_sequences.json -> build/bdist.linux-armv7l/wheel/moleculekit/share 2024-03-01T15:42:27,856 copying build/lib.linux-armv7l-cpython-311/moleculekit/share/ALA.cif -> build/bdist.linux-armv7l/wheel/moleculekit/share 2024-03-01T15:42:27,858 copying build/lib.linux-armv7l-cpython-311/moleculekit/vmd_wrapper -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,860 copying build/lib.linux-armv7l-cpython-311/moleculekit/align.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,862 copying build/lib.linux-armv7l-cpython-311/moleculekit/cython_utils.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,883 creating build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-03-01T15:42:27,884 copying build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/tmalign_util.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-03-01T15:42:27,904 creating build/bdist.linux-armv7l/wheel/moleculekit/tmalign/include 2024-03-01T15:42:27,905 copying build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/include/TMAlign.h -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign/include 2024-03-01T15:42:27,907 copying build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/tmalign_util.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-03-01T15:42:27,909 creating build/bdist.linux-armv7l/wheel/moleculekit/tmalign/src 2024-03-01T15:42:27,910 copying build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/src/TMAlign.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign/src 2024-03-01T15:42:27,915 copying build/lib.linux-armv7l-cpython-311/moleculekit/tmalign/tmalignlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/tmalign 2024-03-01T15:42:27,917 copying build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,936 copying build/lib.linux-armv7l-cpython-311/moleculekit/util.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,939 copying build/lib.linux-armv7l-cpython-311/moleculekit/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,941 copying build/lib.linux-armv7l-cpython-311/moleculekit/home.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:27,944 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:27,945 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/cationpi 2024-03-01T15:42:27,946 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi/cationpi.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/cationpi 2024-03-01T15:42:27,966 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi/cationpi.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/cationpi 2024-03-01T15:42:27,968 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/interactions.py -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:27,971 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:27,993 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/cationpi.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:28,016 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:28,019 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/sigmahole 2024-03-01T15:42:28,020 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole/sigmahole.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/sigmahole 2024-03-01T15:42:28,022 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole/sigmahole.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/sigmahole 2024-03-01T15:42:28,041 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:28,068 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/pipi 2024-03-01T15:42:28,069 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi/pipi.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/pipi 2024-03-01T15:42:28,072 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/pipi/pipi.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/pipi 2024-03-01T15:42:28,091 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/sigmahole.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit/interactions 2024-03-01T15:42:28,114 creating build/bdist.linux-armv7l/wheel/moleculekit/interactions/hbonds 2024-03-01T15:42:28,115 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds/hbonds.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/hbonds 2024-03-01T15:42:28,134 copying build/lib.linux-armv7l-cpython-311/moleculekit/interactions/hbonds/hbonds.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/interactions/hbonds 2024-03-01T15:42:28,137 creating build/bdist.linux-armv7l/wheel/moleculekit/distance_utils 2024-03-01T15:42:28,138 copying build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils/distance_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/distance_utils 2024-03-01T15:42:28,161 copying build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils/distance_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/distance_utils 2024-03-01T15:42:28,164 copying build/lib.linux-armv7l-cpython-311/moleculekit/xtc.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,182 copying build/lib.linux-armv7l-cpython-311/moleculekit/config.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,184 copying build/lib.linux-armv7l-cpython-311/moleculekit/wrapping.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,206 copying build/lib.linux-armv7l-cpython-311/moleculekit/_version.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,208 copying build/lib.linux-armv7l-cpython-311/moleculekit/tmalign.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,258 copying build/lib.linux-armv7l-cpython-311/moleculekit/periodictable.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,260 copying build/lib.linux-armv7l-cpython-311/moleculekit/distance_utils.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,287 copying build/lib.linux-armv7l-cpython-311/moleculekit/logging.ini -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,289 creating build/bdist.linux-armv7l/wheel/moleculekit/occupancy_utils 2024-03-01T15:42:28,290 copying build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils/occupancy_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/occupancy_utils 2024-03-01T15:42:28,312 copying build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils/occupancy_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/occupancy_utils 2024-03-01T15:42:28,313 copying build/lib.linux-armv7l-cpython-311/moleculekit/molecule.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,318 copying build/lib.linux-armv7l-cpython-311/moleculekit/occupancy_utils.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,337 copying build/lib.linux-armv7l-cpython-311/moleculekit/opm.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,340 copying build/lib.linux-armv7l-cpython-311/moleculekit/rdkitintegration.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,342 copying build/lib.linux-armv7l-cpython-311/moleculekit/dihedral.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,344 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx 2024-03-01T15:42:28,345 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-03-01T15:42:28,347 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-03-01T15:42:28,348 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests/PdbxReadWriteTests.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-03-01T15:42:28,350 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests/PdbxWriterTests.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-03-01T15:42:28,352 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/tests/PdbxReaderTests.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/tests 2024-03-01T15:42:28,355 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-03-01T15:42:28,356 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader/PdbxParser.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-03-01T15:42:28,359 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader/PdbxContainers.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-03-01T15:42:28,361 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-03-01T15:42:28,363 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/reader/PdbxReader.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/reader 2024-03-01T15:42:28,366 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx 2024-03-01T15:42:28,367 creating build/bdist.linux-armv7l/wheel/moleculekit/pdbx/writer 2024-03-01T15:42:28,369 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/writer/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/writer 2024-03-01T15:42:28,370 copying build/lib.linux-armv7l-cpython-311/moleculekit/pdbx/writer/PdbxWriter.py -> build/bdist.linux-armv7l/wheel/moleculekit/pdbx/writer 2024-03-01T15:42:28,373 creating build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-03-01T15:42:28,374 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect/languageparser.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-03-01T15:42:28,377 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-03-01T15:42:28,378 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect/analyze.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-03-01T15:42:28,381 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect/atomselect.py -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect 2024-03-01T15:42:28,383 copying build/lib.linux-armv7l-cpython-311/moleculekit/binpos.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,395 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,420 copying build/lib.linux-armv7l-cpython-311/moleculekit/distance.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,423 creating build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,424 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/detect.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,426 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/atomtyper.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,429 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/docking.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,431 creating build/bdist.linux-armv7l/wheel/moleculekit/tools/obabel_tools 2024-03-01T15:42:28,432 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/obabel_tools/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools/obabel_tools 2024-03-01T15:42:28,434 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/obabel_tools/obabel_cli.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools/obabel_tools 2024-03-01T15:42:28,436 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,438 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/hhblitsprofile.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,439 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/crystalpacking.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,442 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/sequencestructuralalignment.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,444 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/voxeldescriptors.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,446 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/preparation.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,449 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/autosegment.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,451 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/modelling.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,454 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/preparation_customres.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,456 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/moleculechecks.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,459 copying build/lib.linux-armv7l-cpython-311/moleculekit/tools/graphalignment.py -> build/bdist.linux-armv7l/wheel/moleculekit/tools 2024-03-01T15:42:28,462 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-03-01T15:42:28,463 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,464 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/trrlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,466 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/xtclib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,468 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/trr.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,471 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/xtc.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,473 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,474 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include/xdrfile.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,477 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include/xtc.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,479 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include/trr_header.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,481 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include/xdrfile_trr.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,483 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include/xdrfile_xtc.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,484 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/include/xdr_seek.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/include 2024-03-01T15:42:28,486 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/xdrlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,488 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-03-01T15:42:28,489 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdr_seek.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-03-01T15:42:28,491 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdrfile_trr.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-03-01T15:42:28,493 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdrfile.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-03-01T15:42:28,496 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xdrfile_xtc.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-03-01T15:42:28,498 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/src/xtc.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc/src 2024-03-01T15:42:28,501 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/xtc.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,521 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/xtc/trr.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/xtc 2024-03-01T15:42:28,543 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/netcdf.py -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-03-01T15:42:28,546 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-03-01T15:42:28,547 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/utils.py -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats 2024-03-01T15:42:28,550 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-03-01T15:42:28,551 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/binpos.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-03-01T15:42:28,568 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/binposlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-03-01T15:42:28,570 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-03-01T15:42:28,571 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include/binposplugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-03-01T15:42:28,573 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include/molfile_plugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-03-01T15:42:28,576 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/include/largefiles.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/include 2024-03-01T15:42:28,578 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/binpos.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos 2024-03-01T15:42:28,581 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/src 2024-03-01T15:42:28,582 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/binpos/src/binposplugin.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/binpos/src 2024-03-01T15:42:28,585 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-03-01T15:42:28,586 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/dcdlib.pxd -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-03-01T15:42:28,587 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/dcd.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-03-01T15:42:28,602 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-03-01T15:42:28,603 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include/dcdplugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-03-01T15:42:28,605 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include/fastio.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-03-01T15:42:28,608 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include/molfile_plugin.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-03-01T15:42:28,611 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include/endianswap.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-03-01T15:42:28,613 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/include/largefiles.h -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/include 2024-03-01T15:42:28,614 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/dcd.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd 2024-03-01T15:42:28,618 creating build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/src 2024-03-01T15:42:28,619 copying build/lib.linux-armv7l-cpython-311/moleculekit/fileformats/dcd/src/dcdplugin.c -> build/bdist.linux-armv7l/wheel/moleculekit/fileformats/dcd/src 2024-03-01T15:42:28,622 creating build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,623 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metrictmscore.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,626 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricsasa.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,629 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricsphericalcoordinate.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,631 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricrmsd.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,633 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metriccoordinate.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,636 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricdihedral.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,639 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/util.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,641 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricplumed2.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,643 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricshell.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,646 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/__init__.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,648 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricgyration.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,650 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricsecondarystructure.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,653 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/projection.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,655 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricdistance.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,658 copying build/lib.linux-armv7l-cpython-311/moleculekit/projections/metricfluctuation.py -> build/bdist.linux-armv7l/wheel/moleculekit/projections 2024-03-01T15:42:28,660 creating build/bdist.linux-armv7l/wheel/moleculekit/bondguesser_utils 2024-03-01T15:42:28,661 copying build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils/bondguesser_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/bondguesser_utils 2024-03-01T15:42:28,681 copying build/lib.linux-armv7l-cpython-311/moleculekit/bondguesser_utils/bondguesser_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/bondguesser_utils 2024-03-01T15:42:28,684 copying build/lib.linux-armv7l-cpython-311/moleculekit/pymolgraphics.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,685 copying build/lib.linux-armv7l-cpython-311/moleculekit/dcd.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,699 copying build/lib.linux-armv7l-cpython-311/moleculekit/vmdgraphics.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,701 copying build/lib.linux-armv7l-cpython-311/moleculekit/rcsb.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,703 copying build/lib.linux-armv7l-cpython-311/moleculekit/readers.py -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,709 creating build/bdist.linux-armv7l/wheel/moleculekit/wrapping 2024-03-01T15:42:28,710 copying build/lib.linux-armv7l-cpython-311/moleculekit/wrapping/wrapping.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/wrapping 2024-03-01T15:42:28,732 copying build/lib.linux-armv7l-cpython-311/moleculekit/wrapping/wrapping.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/wrapping 2024-03-01T15:42:28,735 creating build/bdist.linux-armv7l/wheel/moleculekit/atomselect_utils 2024-03-01T15:42:28,736 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils/atomselect_utils.pyx -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect_utils 2024-03-01T15:42:28,739 copying build/lib.linux-armv7l-cpython-311/moleculekit/atomselect_utils/atomselect_utils.cpp -> build/bdist.linux-armv7l/wheel/moleculekit/atomselect_utils 2024-03-01T15:42:28,767 copying build/lib.linux-armv7l-cpython-311/moleculekit/trr.cpython-311-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/moleculekit 2024-03-01T15:42:28,789 running install_egg_info 2024-03-01T15:42:28,794 Copying moleculekit.egg-info to build/bdist.linux-armv7l/wheel/moleculekit-1.8.26-py3.11.egg-info 2024-03-01T15:42:28,807 running install_scripts 2024-03-01T15:42:28,858 creating build/bdist.linux-armv7l/wheel/moleculekit-1.8.26.dist-info/WHEEL 2024-03-01T15:42:28,862 creating '/tmp/pip-wheel-tby895pk/.tmp-sitjrqlc/moleculekit-1.8.26-cp311-cp311-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-03-01T15:42:28,865 adding 'moleculekit/__init__.py' 2024-03-01T15:42:28,867 adding 'moleculekit/_version.py' 2024-03-01T15:42:28,869 adding 'moleculekit/align.py' 2024-03-01T15:42:29,194 adding 'moleculekit/atomselect_utils.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:29,354 adding 'moleculekit/binpos.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:29,361 adding 'moleculekit/bondguesser.py' 2024-03-01T15:42:29,607 adding 'moleculekit/bondguesser_utils.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:29,616 adding 'moleculekit/config.py' 2024-03-01T15:42:29,880 adding 'moleculekit/cython_utils.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:30,042 adding 'moleculekit/dcd.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:30,049 adding 'moleculekit/dihedral.py' 2024-03-01T15:42:30,050 adding 'moleculekit/distance.py' 2024-03-01T15:42:30,373 adding 'moleculekit/distance_utils.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:30,384 adding 'moleculekit/home.py' 2024-03-01T15:42:30,385 adding 'moleculekit/logging.ini' 2024-03-01T15:42:30,399 adding 'moleculekit/molecule.py' 2024-03-01T15:42:30,629 adding 'moleculekit/occupancy_utils.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:30,638 adding 'moleculekit/opm.py' 2024-03-01T15:42:30,641 adding 'moleculekit/periodictable.py' 2024-03-01T15:42:30,642 adding 'moleculekit/pymolgraphics.py' 2024-03-01T15:42:30,643 adding 'moleculekit/rcsb.py' 2024-03-01T15:42:30,645 adding 'moleculekit/rdkitintegration.py' 2024-03-01T15:42:30,664 adding 'moleculekit/readers.py' 2024-03-01T15:42:31,266 adding 'moleculekit/tmalign.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:31,574 adding 'moleculekit/trr.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:31,585 adding 'moleculekit/util.py' 2024-03-01T15:42:31,586 adding 'moleculekit/version.py' 2024-03-01T15:42:31,588 adding 'moleculekit/viewer.py' 2024-03-01T15:42:31,589 adding 'moleculekit/vmd_wrapper' 2024-03-01T15:42:31,591 adding 'moleculekit/vmdgraphics.py' 2024-03-01T15:42:31,593 adding 'moleculekit/vmdviewer.py' 2024-03-01T15:42:31,848 adding 'moleculekit/wrapping.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:31,862 adding 'moleculekit/writers.py' 2024-03-01T15:42:32,124 adding 'moleculekit/xtc.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:32,133 adding 'moleculekit/atomselect/__init__.py' 2024-03-01T15:42:32,134 adding 'moleculekit/atomselect/analyze.py' 2024-03-01T15:42:32,136 adding 'moleculekit/atomselect/atomselect.py' 2024-03-01T15:42:32,138 adding 'moleculekit/atomselect/languageparser.py' 2024-03-01T15:42:32,242 adding 'moleculekit/atomselect_utils/atomselect_utils.cpp' 2024-03-01T15:42:32,253 adding 'moleculekit/atomselect_utils/atomselect_utils.pyx' 2024-03-01T15:42:32,344 adding 'moleculekit/bondguesser_utils/bondguesser_utils.cpp' 2024-03-01T15:42:32,353 adding 'moleculekit/bondguesser_utils/bondguesser_utils.pyx' 2024-03-01T15:42:32,442 adding 'moleculekit/cython_utils/cython_utils.cpp' 2024-03-01T15:42:32,450 adding 'moleculekit/cython_utils/cython_utils.pyx' 2024-03-01T15:42:32,553 adding 'moleculekit/distance_utils/distance_utils.cpp' 2024-03-01T15:42:32,563 adding 'moleculekit/distance_utils/distance_utils.pyx' 2024-03-01T15:42:32,565 adding 'moleculekit/fileformats/__init__.py' 2024-03-01T15:42:32,570 adding 'moleculekit/fileformats/netcdf.py' 2024-03-01T15:42:32,572 adding 'moleculekit/fileformats/utils.py' 2024-03-01T15:42:32,633 adding 'moleculekit/fileformats/binpos/binpos.c' 2024-03-01T15:42:32,640 adding 'moleculekit/fileformats/binpos/binpos.pyx' 2024-03-01T15:42:32,641 adding 'moleculekit/fileformats/binpos/binposlib.pxd' 2024-03-01T15:42:32,643 adding 'moleculekit/fileformats/binpos/include/binposplugin.h' 2024-03-01T15:42:32,644 adding 'moleculekit/fileformats/binpos/include/largefiles.h' 2024-03-01T15:42:32,649 adding 'moleculekit/fileformats/binpos/include/molfile_plugin.h' 2024-03-01T15:42:32,652 adding 'moleculekit/fileformats/binpos/src/binposplugin.c' 2024-03-01T15:42:32,715 adding 'moleculekit/fileformats/dcd/dcd.c' 2024-03-01T15:42:32,723 adding 'moleculekit/fileformats/dcd/dcd.pyx' 2024-03-01T15:42:32,724 adding 'moleculekit/fileformats/dcd/dcdlib.pxd' 2024-03-01T15:42:32,726 adding 'moleculekit/fileformats/dcd/include/dcdplugin.h' 2024-03-01T15:42:32,727 adding 'moleculekit/fileformats/dcd/include/endianswap.h' 2024-03-01T15:42:32,729 adding 'moleculekit/fileformats/dcd/include/fastio.h' 2024-03-01T15:42:32,730 adding 'moleculekit/fileformats/dcd/include/largefiles.h' 2024-03-01T15:42:32,735 adding 'moleculekit/fileformats/dcd/include/molfile_plugin.h' 2024-03-01T15:42:32,741 adding 'moleculekit/fileformats/dcd/src/dcdplugin.c' 2024-03-01T15:42:32,836 adding 'moleculekit/fileformats/xtc/trr.c' 2024-03-01T15:42:32,847 adding 'moleculekit/fileformats/xtc/trr.pyx' 2024-03-01T15:42:32,849 adding 'moleculekit/fileformats/xtc/trrlib.pxd' 2024-03-01T15:42:32,850 adding 'moleculekit/fileformats/xtc/xdrlib.pxd' 2024-03-01T15:42:32,939 adding 'moleculekit/fileformats/xtc/xtc.cpp' 2024-03-01T15:42:32,947 adding 'moleculekit/fileformats/xtc/xtc.pyx' 2024-03-01T15:42:32,949 adding 'moleculekit/fileformats/xtc/xtclib.pxd' 2024-03-01T15:42:32,950 adding 'moleculekit/fileformats/xtc/include/trr_header.h' 2024-03-01T15:42:32,952 adding 'moleculekit/fileformats/xtc/include/xdr_seek.h' 2024-03-01T15:42:32,954 adding 'moleculekit/fileformats/xtc/include/xdrfile.h' 2024-03-01T15:42:32,955 adding 'moleculekit/fileformats/xtc/include/xdrfile_trr.h' 2024-03-01T15:42:32,957 adding 'moleculekit/fileformats/xtc/include/xdrfile_xtc.h' 2024-03-01T15:42:32,958 adding 'moleculekit/fileformats/xtc/include/xtc.h' 2024-03-01T15:42:32,959 adding 'moleculekit/fileformats/xtc/src/xdr_seek.c' 2024-03-01T15:42:32,966 adding 'moleculekit/fileformats/xtc/src/xdrfile.cpp' 2024-03-01T15:42:32,968 adding 'moleculekit/fileformats/xtc/src/xdrfile_trr.c' 2024-03-01T15:42:32,970 adding 'moleculekit/fileformats/xtc/src/xdrfile_xtc.cpp' 2024-03-01T15:42:32,972 adding 'moleculekit/fileformats/xtc/src/xtc.cpp' 2024-03-01T15:42:32,974 adding 'moleculekit/interactions/__init__.py' 2024-03-01T15:42:33,254 adding 'moleculekit/interactions/cationpi.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:33,521 adding 'moleculekit/interactions/hbonds.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:33,532 adding 'moleculekit/interactions/interactions.py' 2024-03-01T15:42:33,810 adding 'moleculekit/interactions/pipi.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:34,094 adding 'moleculekit/interactions/sigmahole.cpython-311-arm-linux-gnueabihf.so' 2024-03-01T15:42:34,194 adding 'moleculekit/interactions/cationpi/cationpi.cpp' 2024-03-01T15:42:34,203 adding 'moleculekit/interactions/cationpi/cationpi.pyx' 2024-03-01T15:42:34,293 adding 'moleculekit/interactions/hbonds/hbonds.cpp' 2024-03-01T15:42:34,302 adding 'moleculekit/interactions/hbonds/hbonds.pyx' 2024-03-01T15:42:34,394 adding 'moleculekit/interactions/pipi/pipi.cpp' 2024-03-01T15:42:34,403 adding 'moleculekit/interactions/pipi/pipi.pyx' 2024-03-01T15:42:34,494 adding 'moleculekit/interactions/sigmahole/sigmahole.cpp' 2024-03-01T15:42:34,503 adding 'moleculekit/interactions/sigmahole/sigmahole.pyx' 2024-03-01T15:42:34,589 adding 'moleculekit/occupancy_utils/occupancy_utils.cpp' 2024-03-01T15:42:34,598 adding 'moleculekit/occupancy_utils/occupancy_utils.pyx' 2024-03-01T15:42:34,599 adding 'moleculekit/pdbx/__init__.py' 2024-03-01T15:42:34,603 adding 'moleculekit/pdbx/reader/PdbxContainers.py' 2024-03-01T15:42:34,605 adding 'moleculekit/pdbx/reader/PdbxParser.py' 2024-03-01T15:42:34,607 adding 'moleculekit/pdbx/reader/PdbxReader.py' 2024-03-01T15:42:34,609 adding 'moleculekit/pdbx/reader/__init__.py' 2024-03-01T15:42:34,611 adding 'moleculekit/pdbx/tests/PdbxReadWriteTests.py' 2024-03-01T15:42:34,612 adding 'moleculekit/pdbx/tests/PdbxReaderTests.py' 2024-03-01T15:42:34,614 adding 'moleculekit/pdbx/tests/PdbxWriterTests.py' 2024-03-01T15:42:34,615 adding 'moleculekit/pdbx/tests/__init__.py' 2024-03-01T15:42:34,617 adding 'moleculekit/pdbx/writer/PdbxWriter.py' 2024-03-01T15:42:34,618 adding 'moleculekit/pdbx/writer/__init__.py' 2024-03-01T15:42:34,620 adding 'moleculekit/ply/__init__.py' 2024-03-01T15:42:34,624 adding 'moleculekit/ply/lex.py' 2024-03-01T15:42:34,635 adding 'moleculekit/ply/yacc.py' 2024-03-01T15:42:34,638 adding 'moleculekit/projections/__init__.py' 2024-03-01T15:42:34,640 adding 'moleculekit/projections/metriccoordinate.py' 2024-03-01T15:42:34,644 adding 'moleculekit/projections/metricdihedral.py' 2024-03-01T15:42:34,648 adding 'moleculekit/projections/metricdistance.py' 2024-03-01T15:42:34,650 adding 'moleculekit/projections/metricfluctuation.py' 2024-03-01T15:42:34,652 adding 'moleculekit/projections/metricgyration.py' 2024-03-01T15:42:34,655 adding 'moleculekit/projections/metricplumed2.py' 2024-03-01T15:42:34,657 adding 'moleculekit/projections/metricrmsd.py' 2024-03-01T15:42:34,659 adding 'moleculekit/projections/metricsasa.py' 2024-03-01T15:42:34,661 adding 'moleculekit/projections/metricsecondarystructure.py' 2024-03-01T15:42:34,663 adding 'moleculekit/projections/metricshell.py' 2024-03-01T15:42:34,665 adding 'moleculekit/projections/metricsphericalcoordinate.py' 2024-03-01T15:42:34,667 adding 'moleculekit/projections/metrictmscore.py' 2024-03-01T15:42:34,668 adding 'moleculekit/projections/projection.py' 2024-03-01T15:42:34,669 adding 'moleculekit/projections/util.py' 2024-03-01T15:42:34,671 adding 'moleculekit/share/ALA.cif' 2024-03-01T15:42:34,673 adding 'moleculekit/share/backbone.cif' 2024-03-01T15:42:35,968 adding 'moleculekit/share/opm_sequences.json' 2024-03-01T15:42:36,053 adding 'moleculekit/share/atomselect/atomselect.json' 2024-03-01T15:42:36,058 adding 'moleculekit/share/pdb2pqr/residues/.gitkeep' 2024-03-01T15:42:36,059 adding 'moleculekit/share/pdb2pqr/residues/004.dat' 2024-03-01T15:42:36,060 adding 'moleculekit/share/pdb2pqr/residues/004.xml' 2024-03-01T15:42:36,061 adding 'moleculekit/share/pdb2pqr/residues/03Y.dat' 2024-03-01T15:42:36,062 adding 'moleculekit/share/pdb2pqr/residues/03Y.xml' 2024-03-01T15:42:36,063 adding 'moleculekit/share/pdb2pqr/residues/0A1.dat' 2024-03-01T15:42:36,064 adding 'moleculekit/share/pdb2pqr/residues/0A1.xml' 2024-03-01T15:42:36,066 adding 'moleculekit/share/pdb2pqr/residues/0AF.dat' 2024-03-01T15:42:36,067 adding 'moleculekit/share/pdb2pqr/residues/0AF.xml' 2024-03-01T15:42:36,068 adding 'moleculekit/share/pdb2pqr/residues/0BN.dat' 2024-03-01T15:42:36,069 adding 'moleculekit/share/pdb2pqr/residues/0BN.xml' 2024-03-01T15:42:36,070 adding 'moleculekit/share/pdb2pqr/residues/1MH.dat' 2024-03-01T15:42:36,072 adding 'moleculekit/share/pdb2pqr/residues/1MH.xml' 2024-03-01T15:42:36,073 adding 'moleculekit/share/pdb2pqr/residues/2AS.dat' 2024-03-01T15:42:36,074 adding 'moleculekit/share/pdb2pqr/residues/2AS.xml' 2024-03-01T15:42:36,075 adding 'moleculekit/share/pdb2pqr/residues/2GX.dat' 2024-03-01T15:42:36,077 adding 'moleculekit/share/pdb2pqr/residues/2GX.xml' 2024-03-01T15:42:36,078 adding 'moleculekit/share/pdb2pqr/residues/2ML.dat' 2024-03-01T15:42:36,079 adding 'moleculekit/share/pdb2pqr/residues/2ML.xml' 2024-03-01T15:42:36,080 adding 'moleculekit/share/pdb2pqr/residues/2MR.dat' 2024-03-01T15:42:36,082 adding 'moleculekit/share/pdb2pqr/residues/2MR.xml' 2024-03-01T15:42:36,083 adding 'moleculekit/share/pdb2pqr/residues/4IN.dat' 2024-03-01T15:42:36,084 adding 'moleculekit/share/pdb2pqr/residues/4IN.xml' 2024-03-01T15:42:36,085 adding 'moleculekit/share/pdb2pqr/residues/4PH.dat' 2024-03-01T15:42:36,087 adding 'moleculekit/share/pdb2pqr/residues/4PH.xml' 2024-03-01T15:42:36,088 adding 'moleculekit/share/pdb2pqr/residues/4PQ.dat' 2024-03-01T15:42:36,089 adding 'moleculekit/share/pdb2pqr/residues/4PQ.xml' 2024-03-01T15:42:36,091 adding 'moleculekit/share/pdb2pqr/residues/5JP.dat' 2024-03-01T15:42:36,092 adding 'moleculekit/share/pdb2pqr/residues/5JP.xml' 2024-03-01T15:42:36,093 adding 'moleculekit/share/pdb2pqr/residues/AA4.dat' 2024-03-01T15:42:36,094 adding 'moleculekit/share/pdb2pqr/residues/AA4.xml' 2024-03-01T15:42:36,096 adding 'moleculekit/share/pdb2pqr/residues/ABA.dat' 2024-03-01T15:42:36,097 adding 'moleculekit/share/pdb2pqr/residues/ABA.xml' 2024-03-01T15:42:36,098 adding 'moleculekit/share/pdb2pqr/residues/AHP.dat' 2024-03-01T15:42:36,099 adding 'moleculekit/share/pdb2pqr/residues/AHP.xml' 2024-03-01T15:42:36,101 adding 'moleculekit/share/pdb2pqr/residues/ALC.dat' 2024-03-01T15:42:36,102 adding 'moleculekit/share/pdb2pqr/residues/ALC.xml' 2024-03-01T15:42:36,103 adding 'moleculekit/share/pdb2pqr/residues/ALN.dat' 2024-03-01T15:42:36,104 adding 'moleculekit/share/pdb2pqr/residues/ALN.xml' 2024-03-01T15:42:36,106 adding 'moleculekit/share/pdb2pqr/residues/ALY.dat' 2024-03-01T15:42:36,107 adding 'moleculekit/share/pdb2pqr/residues/ALY.xml' 2024-03-01T15:42:36,108 adding 'moleculekit/share/pdb2pqr/residues/APD.dat' 2024-03-01T15:42:36,109 adding 'moleculekit/share/pdb2pqr/residues/APD.xml' 2024-03-01T15:42:36,110 adding 'moleculekit/share/pdb2pqr/residues/BB8.dat' 2024-03-01T15:42:36,111 adding 'moleculekit/share/pdb2pqr/residues/BB8.xml' 2024-03-01T15:42:36,112 adding 'moleculekit/share/pdb2pqr/residues/BCS.dat' 2024-03-01T15:42:36,114 adding 'moleculekit/share/pdb2pqr/residues/BCS.xml' 2024-03-01T15:42:36,115 adding 'moleculekit/share/pdb2pqr/residues/BTK.dat' 2024-03-01T15:42:36,116 adding 'moleculekit/share/pdb2pqr/residues/BTK.xml' 2024-03-01T15:42:36,117 adding 'moleculekit/share/pdb2pqr/residues/CCS.dat' 2024-03-01T15:42:36,118 adding 'moleculekit/share/pdb2pqr/residues/CCS.xml' 2024-03-01T15:42:36,119 adding 'moleculekit/share/pdb2pqr/residues/CGU.dat' 2024-03-01T15:42:36,120 adding 'moleculekit/share/pdb2pqr/residues/CGU.xml' 2024-03-01T15:42:36,122 adding 'moleculekit/share/pdb2pqr/residues/CSA.dat' 2024-03-01T15:42:36,123 adding 'moleculekit/share/pdb2pqr/residues/CSA.xml' 2024-03-01T15:42:36,124 adding 'moleculekit/share/pdb2pqr/residues/CSO.dat' 2024-03-01T15:42:36,125 adding 'moleculekit/share/pdb2pqr/residues/CSO.xml' 2024-03-01T15:42:36,126 adding 'moleculekit/share/pdb2pqr/residues/CSP.dat' 2024-03-01T15:42:36,128 adding 'moleculekit/share/pdb2pqr/residues/CSP.xml' 2024-03-01T15:42:36,129 adding 'moleculekit/share/pdb2pqr/residues/CSS.dat' 2024-03-01T15:42:36,130 adding 'moleculekit/share/pdb2pqr/residues/CSS.xml' 2024-03-01T15:42:36,131 adding 'moleculekit/share/pdb2pqr/residues/D4P.dat' 2024-03-01T15:42:36,132 adding 'moleculekit/share/pdb2pqr/residues/D4P.xml' 2024-03-01T15:42:36,133 adding 'moleculekit/share/pdb2pqr/residues/DA2.dat' 2024-03-01T15:42:36,135 adding 'moleculekit/share/pdb2pqr/residues/DA2.xml' 2024-03-01T15:42:36,136 adding 'moleculekit/share/pdb2pqr/residues/DAB.dat' 2024-03-01T15:42:36,137 adding 'moleculekit/share/pdb2pqr/residues/DAB.xml' 2024-03-01T15:42:36,138 adding 'moleculekit/share/pdb2pqr/residues/DAH.dat' 2024-03-01T15:42:36,140 adding 'moleculekit/share/pdb2pqr/residues/DAH.xml' 2024-03-01T15:42:36,141 adding 'moleculekit/share/pdb2pqr/residues/DPP.dat' 2024-03-01T15:42:36,143 adding 'moleculekit/share/pdb2pqr/residues/DPP.xml' 2024-03-01T15:42:36,144 adding 'moleculekit/share/pdb2pqr/residues/ESC.dat' 2024-03-01T15:42:36,145 adding 'moleculekit/share/pdb2pqr/residues/ESC.xml' 2024-03-01T15:42:36,146 adding 'moleculekit/share/pdb2pqr/residues/FGL.dat' 2024-03-01T15:42:36,147 adding 'moleculekit/share/pdb2pqr/residues/FGL.xml' 2024-03-01T15:42:36,149 adding 'moleculekit/share/pdb2pqr/residues/GHG.dat' 2024-03-01T15:42:36,150 adding 'moleculekit/share/pdb2pqr/residues/GHG.xml' 2024-03-01T15:42:36,151 adding 'moleculekit/share/pdb2pqr/residues/GME.dat' 2024-03-01T15:42:36,152 adding 'moleculekit/share/pdb2pqr/residues/GME.xml' 2024-03-01T15:42:36,154 adding 'moleculekit/share/pdb2pqr/residues/GNC.dat' 2024-03-01T15:42:36,155 adding 'moleculekit/share/pdb2pqr/residues/GNC.xml' 2024-03-01T15:42:36,156 adding 'moleculekit/share/pdb2pqr/residues/HHK.dat' 2024-03-01T15:42:36,157 adding 'moleculekit/share/pdb2pqr/residues/HHK.xml' 2024-03-01T15:42:36,158 adding 'moleculekit/share/pdb2pqr/residues/HLU.dat' 2024-03-01T15:42:36,160 adding 'moleculekit/share/pdb2pqr/residues/HLU.xml' 2024-03-01T15:42:36,161 adding 'moleculekit/share/pdb2pqr/residues/HLX.dat' 2024-03-01T15:42:36,162 adding 'moleculekit/share/pdb2pqr/residues/HLX.xml' 2024-03-01T15:42:36,163 adding 'moleculekit/share/pdb2pqr/residues/HOX.dat' 2024-03-01T15:42:36,165 adding 'moleculekit/share/pdb2pqr/residues/HOX.xml' 2024-03-01T15:42:36,166 adding 'moleculekit/share/pdb2pqr/residues/HPE.dat' 2024-03-01T15:42:36,167 adding 'moleculekit/share/pdb2pqr/residues/HPE.xml' 2024-03-01T15:42:36,168 adding 'moleculekit/share/pdb2pqr/residues/HQA.dat' 2024-03-01T15:42:36,169 adding 'moleculekit/share/pdb2pqr/residues/HQA.xml' 2024-03-01T15:42:36,171 adding 'moleculekit/share/pdb2pqr/residues/HTR.dat' 2024-03-01T15:42:36,172 adding 'moleculekit/share/pdb2pqr/residues/HTR.xml' 2024-03-01T15:42:36,173 adding 'moleculekit/share/pdb2pqr/residues/HYP.dat' 2024-03-01T15:42:36,174 adding 'moleculekit/share/pdb2pqr/residues/HYP.xml' 2024-03-01T15:42:36,175 adding 'moleculekit/share/pdb2pqr/residues/I2M.dat' 2024-03-01T15:42:36,176 adding 'moleculekit/share/pdb2pqr/residues/I2M.xml' 2024-03-01T15:42:36,177 adding 'moleculekit/share/pdb2pqr/residues/IGL.dat' 2024-03-01T15:42:36,179 adding 'moleculekit/share/pdb2pqr/residues/IGL.xml' 2024-03-01T15:42:36,180 adding 'moleculekit/share/pdb2pqr/residues/IIL.dat' 2024-03-01T15:42:36,181 adding 'moleculekit/share/pdb2pqr/residues/IIL.xml' 2024-03-01T15:42:36,182 adding 'moleculekit/share/pdb2pqr/residues/IML.dat' 2024-03-01T15:42:36,183 adding 'moleculekit/share/pdb2pqr/residues/IML.xml' 2024-03-01T15:42:36,185 adding 'moleculekit/share/pdb2pqr/residues/KYN.dat' 2024-03-01T15:42:36,186 adding 'moleculekit/share/pdb2pqr/residues/KYN.xml' 2024-03-01T15:42:36,187 adding 'moleculekit/share/pdb2pqr/residues/LME.dat' 2024-03-01T15:42:36,188 adding 'moleculekit/share/pdb2pqr/residues/LME.xml' 2024-03-01T15:42:36,189 adding 'moleculekit/share/pdb2pqr/residues/LMQ.dat' 2024-03-01T15:42:36,190 adding 'moleculekit/share/pdb2pqr/residues/LMQ.xml' 2024-03-01T15:42:36,192 adding 'moleculekit/share/pdb2pqr/residues/LYZ.dat' 2024-03-01T15:42:36,193 adding 'moleculekit/share/pdb2pqr/residues/LYZ.xml' 2024-03-01T15:42:36,194 adding 'moleculekit/share/pdb2pqr/residues/M3L.dat' 2024-03-01T15:42:36,195 adding 'moleculekit/share/pdb2pqr/residues/M3L.xml' 2024-03-01T15:42:36,196 adding 'moleculekit/share/pdb2pqr/residues/ME0.dat' 2024-03-01T15:42:36,197 adding 'moleculekit/share/pdb2pqr/residues/ME0.xml' 2024-03-01T15:42:36,199 adding 'moleculekit/share/pdb2pqr/residues/MEA.dat' 2024-03-01T15:42:36,200 adding 'moleculekit/share/pdb2pqr/residues/MEA.xml' 2024-03-01T15:42:36,201 adding 'moleculekit/share/pdb2pqr/residues/MEN.dat' 2024-03-01T15:42:36,202 adding 'moleculekit/share/pdb2pqr/residues/MEN.xml' 2024-03-01T15:42:36,203 adding 'moleculekit/share/pdb2pqr/residues/MEQ.dat' 2024-03-01T15:42:36,205 adding 'moleculekit/share/pdb2pqr/residues/MEQ.xml' 2024-03-01T15:42:36,206 adding 'moleculekit/share/pdb2pqr/residues/MLE.dat' 2024-03-01T15:42:36,207 adding 'moleculekit/share/pdb2pqr/residues/MLE.xml' 2024-03-01T15:42:36,208 adding 'moleculekit/share/pdb2pqr/residues/MLY.dat' 2024-03-01T15:42:36,210 adding 'moleculekit/share/pdb2pqr/residues/MLY.xml' 2024-03-01T15:42:36,211 adding 'moleculekit/share/pdb2pqr/residues/MLZ.dat' 2024-03-01T15:42:36,212 adding 'moleculekit/share/pdb2pqr/residues/MLZ.xml' 2024-03-01T15:42:36,214 adding 'moleculekit/share/pdb2pqr/residues/MME.dat' 2024-03-01T15:42:36,215 adding 'moleculekit/share/pdb2pqr/residues/MME.xml' 2024-03-01T15:42:36,216 adding 'moleculekit/share/pdb2pqr/residues/MMO.dat' 2024-03-01T15:42:36,217 adding 'moleculekit/share/pdb2pqr/residues/MMO.xml' 2024-03-01T15:42:36,219 adding 'moleculekit/share/pdb2pqr/residues/MVA.dat' 2024-03-01T15:42:36,220 adding 'moleculekit/share/pdb2pqr/residues/MVA.xml' 2024-03-01T15:42:36,221 adding 'moleculekit/share/pdb2pqr/residues/NAL.dat' 2024-03-01T15:42:36,222 adding 'moleculekit/share/pdb2pqr/residues/NAL.xml' 2024-03-01T15:42:36,224 adding 'moleculekit/share/pdb2pqr/residues/NCY.dat' 2024-03-01T15:42:36,225 adding 'moleculekit/share/pdb2pqr/residues/NCY.xml' 2024-03-01T15:42:36,226 adding 'moleculekit/share/pdb2pqr/residues/NLE.dat' 2024-03-01T15:42:36,228 adding 'moleculekit/share/pdb2pqr/residues/NLE.xml' 2024-03-01T15:42:36,229 adding 'moleculekit/share/pdb2pqr/residues/NVA.dat' 2024-03-01T15:42:36,230 adding 'moleculekit/share/pdb2pqr/residues/NVA.xml' 2024-03-01T15:42:36,231 adding 'moleculekit/share/pdb2pqr/residues/NZC.dat' 2024-03-01T15:42:36,232 adding 'moleculekit/share/pdb2pqr/residues/NZC.xml' 2024-03-01T15:42:36,234 adding 'moleculekit/share/pdb2pqr/residues/OCY.dat' 2024-03-01T15:42:36,235 adding 'moleculekit/share/pdb2pqr/residues/OCY.xml' 2024-03-01T15:42:36,236 adding 'moleculekit/share/pdb2pqr/residues/OMX.dat' 2024-03-01T15:42:36,237 adding 'moleculekit/share/pdb2pqr/residues/OMX.xml' 2024-03-01T15:42:36,238 adding 'moleculekit/share/pdb2pqr/residues/ONL.dat' 2024-03-01T15:42:36,239 adding 'moleculekit/share/pdb2pqr/residues/ONL.xml' 2024-03-01T15:42:36,240 adding 'moleculekit/share/pdb2pqr/residues/ORM.dat' 2024-03-01T15:42:36,241 adding 'moleculekit/share/pdb2pqr/residues/ORM.xml' 2024-03-01T15:42:36,242 adding 'moleculekit/share/pdb2pqr/residues/P1L.dat' 2024-03-01T15:42:36,244 adding 'moleculekit/share/pdb2pqr/residues/P1L.xml' 2024-03-01T15:42:36,245 adding 'moleculekit/share/pdb2pqr/residues/PCA.dat' 2024-03-01T15:42:36,246 adding 'moleculekit/share/pdb2pqr/residues/PCA.xml' 2024-03-01T15:42:36,247 adding 'moleculekit/share/pdb2pqr/residues/PRK.dat' 2024-03-01T15:42:36,248 adding 'moleculekit/share/pdb2pqr/residues/PRK.xml' 2024-03-01T15:42:36,250 adding 'moleculekit/share/pdb2pqr/residues/PTR.dat' 2024-03-01T15:42:36,251 adding 'moleculekit/share/pdb2pqr/residues/PTR.xml' 2024-03-01T15:42:36,252 adding 'moleculekit/share/pdb2pqr/residues/SEP.dat' 2024-03-01T15:42:36,253 adding 'moleculekit/share/pdb2pqr/residues/SEP.xml' 2024-03-01T15:42:36,254 adding 'moleculekit/share/pdb2pqr/residues/TPO.dat' 2024-03-01T15:42:36,255 adding 'moleculekit/share/pdb2pqr/residues/TPO.xml' 2024-03-01T15:42:36,256 adding 'moleculekit/share/pdb2pqr/residues/TRO.dat' 2024-03-01T15:42:36,258 adding 'moleculekit/share/pdb2pqr/residues/TRO.xml' 2024-03-01T15:42:36,259 adding 'moleculekit/share/pdb2pqr/residues/TY2.dat' 2024-03-01T15:42:36,260 adding 'moleculekit/share/pdb2pqr/residues/TY2.xml' 2024-03-01T15:42:36,261 adding 'moleculekit/share/pdb2pqr/residues/TYQ.dat' 2024-03-01T15:42:36,262 adding 'moleculekit/share/pdb2pqr/residues/TYQ.xml' 2024-03-01T15:42:36,263 adding 'moleculekit/share/pdb2pqr/residues/YCM.dat' 2024-03-01T15:42:36,265 adding 'moleculekit/share/pdb2pqr/residues/YCM.xml' 2024-03-01T15:42:36,266 adding 'moleculekit/share/pdb2pqr/residues/YNM.dat' 2024-03-01T15:42:36,267 adding 'moleculekit/share/pdb2pqr/residues/YNM.xml' 2024-03-01T15:42:36,269 adding 'moleculekit/smallmol/__init__.py' 2024-03-01T15:42:36,274 adding 'moleculekit/smallmol/smallmol.py' 2024-03-01T15:42:36,277 adding 'moleculekit/smallmol/smallmollib.py' 2024-03-01T15:42:36,278 adding 'moleculekit/smallmol/test_smallmol.py' 2024-03-01T15:42:36,280 adding 'moleculekit/smallmol/test_smallmollib.py' 2024-03-01T15:42:36,282 adding 'moleculekit/smallmol/util.py' 2024-03-01T15:42:36,284 adding 'moleculekit/smallmol/tools/__init__.py' 2024-03-01T15:42:36,286 adding 'moleculekit/smallmol/tools/clustering.py' 2024-03-01T15:42:36,287 adding 'moleculekit/smallmol/tools/restrainedembed.py' 2024-03-01T15:42:36,289 adding 'moleculekit/smallmol/tools/test_tools.py' 2024-03-01T15:42:36,379 adding 'moleculekit/tmalign/tmalign_util.cpp' 2024-03-01T15:42:36,387 adding 'moleculekit/tmalign/tmalign_util.pyx' 2024-03-01T15:42:36,388 adding 'moleculekit/tmalign/tmalignlib.pxd' 2024-03-01T15:42:36,390 adding 'moleculekit/tmalign/include/TMAlign.h' 2024-03-01T15:42:36,407 adding 'moleculekit/tmalign/src/TMAlign.cpp' 2024-03-01T15:42:36,410 adding 'moleculekit/tools/__init__.py' 2024-03-01T15:42:36,413 adding 'moleculekit/tools/atomtyper.py' 2024-03-01T15:42:36,415 adding 'moleculekit/tools/autosegment.py' 2024-03-01T15:42:36,416 adding 'moleculekit/tools/crystalpacking.py' 2024-03-01T15:42:36,420 adding 'moleculekit/tools/detect.py' 2024-03-01T15:42:36,422 adding 'moleculekit/tools/docking.py' 2024-03-01T15:42:36,424 adding 'moleculekit/tools/graphalignment.py' 2024-03-01T15:42:36,429 adding 'moleculekit/tools/hhblitsprofile.py' 2024-03-01T15:42:36,430 adding 'moleculekit/tools/modelling.py' 2024-03-01T15:42:36,432 adding 'moleculekit/tools/moleculechecks.py' 2024-03-01T15:42:36,438 adding 'moleculekit/tools/preparation.py' 2024-03-01T15:42:36,441 adding 'moleculekit/tools/preparation_customres.py' 2024-03-01T15:42:36,442 adding 'moleculekit/tools/sequencestructuralalignment.py' 2024-03-01T15:42:36,445 adding 'moleculekit/tools/voxeldescriptors.py' 2024-03-01T15:42:36,447 adding 'moleculekit/tools/obabel_tools/__init__.py' 2024-03-01T15:42:36,448 adding 'moleculekit/tools/obabel_tools/obabel_cli.py' 2024-03-01T15:42:36,540 adding 'moleculekit/wrapping/wrapping.cpp' 2024-03-01T15:42:36,549 adding 'moleculekit/wrapping/wrapping.pyx' 2024-03-01T15:42:36,551 adding 'moleculekit-1.8.26.dist-info/LICENSE' 2024-03-01T15:42:36,552 adding 'moleculekit-1.8.26.dist-info/METADATA' 2024-03-01T15:42:36,553 adding 'moleculekit-1.8.26.dist-info/WHEEL' 2024-03-01T15:42:36,554 adding 'moleculekit-1.8.26.dist-info/top_level.txt' 2024-03-01T15:42:36,559 adding 'moleculekit-1.8.26.dist-info/RECORD' 2024-03-01T15:42:36,725 removing build/bdist.linux-armv7l/wheel 2024-03-01T15:42:37,039 Building wheel for moleculekit (pyproject.toml): finished with status 'done' 2024-03-01T15:42:37,346 Created wheel for moleculekit: filename=moleculekit-1.8.26-cp311-cp311-linux_armv7l.whl size=15272069 sha256=49f97c74078233f9b9c45b8e685536e701ae768f527b1c4a6c6a09be4faa18e9 2024-03-01T15:42:37,347 Stored in directory: /tmp/pip-ephem-wheel-cache-thrlml6m/wheels/d5/e8/0f/c96190d958b2c8d6e389a9307b2950201227b13736d9ac08e3 2024-03-01T15:42:37,372 Successfully built moleculekit 2024-03-01T15:42:37,728 Removed build tracker: '/tmp/pip-build-tracker-987ndyyp'