2021-07-12T14:06:52,998 Created temporary directory: /tmp/pip-ephem-wheel-cache-098uvm_k 2021-07-12T14:06:53,001 Created temporary directory: /tmp/pip-req-tracker-4bl2zoeb 2021-07-12T14:06:53,001 Initialized build tracking at /tmp/pip-req-tracker-4bl2zoeb 2021-07-12T14:06:53,001 Created build tracker: /tmp/pip-req-tracker-4bl2zoeb 2021-07-12T14:06:53,002 Entered build tracker: /tmp/pip-req-tracker-4bl2zoeb 2021-07-12T14:06:53,002 Created temporary directory: /tmp/pip-wheel-flvwk2jc 2021-07-12T14:06:53,035 1 location(s) to search for versions of molmod: 2021-07-12T14:06:53,035 * https://pypi.org/simple/molmod/ 2021-07-12T14:06:53,035 Fetching project page and analyzing links: https://pypi.org/simple/molmod/ 2021-07-12T14:06:53,036 Getting page https://pypi.org/simple/molmod/ 2021-07-12T14:06:53,037 Found index url https://pypi.org/simple 2021-07-12T14:06:53,134 Found link https://files.pythonhosted.org/packages/d8/b1/d7cf3645e70ddf22e3c93225a0f963debc4be6276148cbaed46e973d2064/molmod-1.2.1.tar.gz#sha256=9fc0372f99b2e00fe6fc4ae9954d31b19a767c40c97423c6ee4ada76f3dd9843 (from https://pypi.org/simple/molmod/), version: 1.2.1 2021-07-12T14:06:53,134 Found link https://files.pythonhosted.org/packages/03/2d/4457e38b0e8245af76b37000ccee228d12b029023b0711954bc495494fd0/molmod-1.3.0.tar.gz#sha256=1ed88d05ced28f998b1644f1d400853d30faba8eb06ebb818b22704f2f3cad80 (from https://pypi.org/simple/molmod/), version: 1.3.0 2021-07-12T14:06:53,134 Found link https://files.pythonhosted.org/packages/2c/3d/dd9c32cebc2ee7f29a16a778d775ce074c7c1c7b083f83b0dd63e350927e/molmod-1.3.1.tar.gz#sha256=eee1b0035ef238a9086f71c07bc27563f1481c99ecb172118f41c1f024d6c9fb (from https://pypi.org/simple/molmod/), version: 1.3.1 2021-07-12T14:06:53,135 Found link https://files.pythonhosted.org/packages/79/fd/9f4282bf37b3ee38242dc4c6883b0923d450331f491ab5942702b791e84a/molmod-1.3.2.tar.gz#sha256=0af0b797cf628458e1f5c0334cf7f7f1c2ee6a3edbba87ca0fbde39e9b444ec7 (from https://pypi.org/simple/molmod/), version: 1.3.2 2021-07-12T14:06:53,135 Found link https://files.pythonhosted.org/packages/8c/b1/a243fe8d060c2ccb643e70504b0a727fe4a3420b2c790e3718865b6ffc8c/molmod-1.3.3.tar.gz#sha256=3bcdfb73faf4c3f180e68f7c8efe7fdd58e0e8ce8e8f3883bc4dfb5a260f63db (from https://pypi.org/simple/molmod/), version: 1.3.3 2021-07-12T14:06:53,135 Found link https://files.pythonhosted.org/packages/0d/d2/5df39f43e2f91f5a13376ef2c34aa30de3fd9be11fb6e9e5c18a9e15c9f8/molmod-1.3.4.tar.gz#sha256=c39fc75fa76a6c1c14b0fb41e7e76802b3dad5d695ae62b2afa0ebcc36b37cb4 (from https://pypi.org/simple/molmod/), version: 1.3.4 2021-07-12T14:06:53,136 Found link https://files.pythonhosted.org/packages/5f/dc/39d3239d5d8d54bfc49378235b7c20f010ba98f3c4552b841617884d3646/molmod-1.3.5.tar.gz#sha256=5360f2afab0c09eb6a1124b4deec63966f8aaa5c90176890a9980e242fa4c53c (from https://pypi.org/simple/molmod/), version: 1.3.5 2021-07-12T14:06:53,136 Found link https://files.pythonhosted.org/packages/da/f3/41c1c6830eae57a2b96b0d0d9d1853de31119ab7db44136ef69d3690f21a/molmod-1.4.0.tar.gz#sha256=4dbb214faa90e7e08c9dc54d9b5595c2aa6e2a946c1dcf7defb13e1f9b6fe914 (from https://pypi.org/simple/molmod/), version: 1.4.0 2021-07-12T14:06:53,136 Found link https://files.pythonhosted.org/packages/03/bc/ca927944923a5de71f19c2390ab0b5f99f5e4723a1661c5917ab2cfe9919/molmod-1.4.1.tar.gz#sha256=51992a9e46259293f1851d50a77ddef6ed4d4522826b5452eebd2166f0ffd1d7 (from https://pypi.org/simple/molmod/), version: 1.4.1 2021-07-12T14:06:53,136 Found link https://files.pythonhosted.org/packages/8a/b8/0edf642e6a0bcb411523f5a25f87f1db08b590a073cb3e21dc332407a663/molmod-1.4.2.tar.gz#sha256=c5a533ccdd13e7ffa7ad7c1dec6d49e6279b27b79584a7bd27056b16711e74cd (from https://pypi.org/simple/molmod/), version: 1.4.2 2021-07-12T14:06:53,137 Found link https://files.pythonhosted.org/packages/0b/85/bb75ec4376a612f3e5300712c5e1abab63894ec1bbf7be249a42a90b2c66/molmod-1.4.3.tar.gz#sha256=a93e694e07e36fe5881dc19b8d004c5c4e0514bc5b1240de04497c6aaa99ecf6 (from https://pypi.org/simple/molmod/), version: 1.4.3 2021-07-12T14:06:53,137 Found link https://files.pythonhosted.org/packages/89/80/6a23f730196ed3ffb478dc3f9ea047913c99091d301cc82f4820ecee095d/molmod-1.4.4.tar.gz#sha256=ca0e461fe42fc8b7e0b481cda33aac247d86b5fb817b5076e20abc90dd577797 (from https://pypi.org/simple/molmod/), version: 1.4.4 2021-07-12T14:06:53,137 Found link https://files.pythonhosted.org/packages/98/08/f84c490fe1a2d0e3ff55dddd1079eeb77b2742ed3c8ad49b392444031d2f/molmod-1.4.5.tar.gz#sha256=e94520945c066c26494f20bbf7f85711458acc56b22da7b0da9e48b5b1a2ec35 (from https://pypi.org/simple/molmod/), version: 1.4.5 2021-07-12T14:06:53,137 Found link https://files.pythonhosted.org/packages/e0/ce/a5df4a468f492baf8cce68318fd74eac947ff7f0947afc5bb14ac85fdccb/molmod-1.4.6.tar.gz#sha256=3147eec3a57da164415359188a02385b9285486e70e98f9fc8e2d03037a8ffe3 (from https://pypi.org/simple/molmod/), version: 1.4.6 2021-07-12T14:06:53,138 Found link https://files.pythonhosted.org/packages/31/e6/4d8fe5e1fdf2077fdcee631d56aaaf8efaa331d823c4edc870fb30d701d8/molmod-1.4.7.tar.gz#sha256=bd52ddbfafd8ce88351ba8473580dee760cd1df25f90b75396fc75815db18e66 (from https://pypi.org/simple/molmod/), version: 1.4.7 2021-07-12T14:06:53,138 Found link https://files.pythonhosted.org/packages/23/77/814f9302b6df72ef3aa6944edd8b9b0f5e983aed07027828a4e0666c4ef3/molmod-1.4.8.tar.gz#sha256=08cc526080aee04659ff5d08f8d26ab6973afef62becb9ae21cb11bb5b632177 (from https://pypi.org/simple/molmod/), version: 1.4.8 2021-07-12T14:06:53,138 Skipping link: not a file: https://pypi.org/simple/molmod/ 2021-07-12T14:06:53,158 Given no hashes to check 1 links for project 'molmod': discarding no candidates 2021-07-12T14:06:53,177 Collecting molmod==1.4.3 2021-07-12T14:06:53,179 Created temporary directory: /tmp/pip-unpack-0vhf344r 2021-07-12T14:06:53,852 Downloading molmod-1.4.3.tar.gz (1.7 MB) 2021-07-12T14:06:54,815 Added molmod==1.4.3 from https://files.pythonhosted.org/packages/0b/85/bb75ec4376a612f3e5300712c5e1abab63894ec1bbf7be249a42a90b2c66/molmod-1.4.3.tar.gz#sha256=a93e694e07e36fe5881dc19b8d004c5c4e0514bc5b1240de04497c6aaa99ecf6 to build tracker '/tmp/pip-req-tracker-4bl2zoeb' 2021-07-12T14:06:54,816 Running setup.py (path:/tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/setup.py) egg_info for package molmod 2021-07-12T14:06:54,817 Created temporary directory: /tmp/pip-pip-egg-info-s9nqaaj0 2021-07-12T14:06:54,817 Running command python setup.py egg_info 2021-07-12T14:06:56,201 fatal: not a git repository (or any of the parent directories): .git 2021-07-12T14:06:56,400 Trying to get the version from git describe 2021-07-12T14:06:56,401 Trying to get the version from {} /tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/molmod/version.py 2021-07-12T14:06:56,401 Version according to /tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/molmod/version.py: 1.4.3 2021-07-12T14:06:56,401 running egg_info 2021-07-12T14:06:56,403 creating /tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info 2021-07-12T14:06:56,404 writing /tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/PKG-INFO 2021-07-12T14:06:56,407 writing dependency_links to /tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/dependency_links.txt 2021-07-12T14:06:56,409 writing requirements to /tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/requires.txt 2021-07-12T14:06:56,410 writing top-level names to /tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/top_level.txt 2021-07-12T14:06:56,411 writing manifest file '/tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/SOURCES.txt' 2021-07-12T14:06:56,574 reading manifest file '/tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/SOURCES.txt' 2021-07-12T14:06:56,575 reading manifest template 'MANIFEST.in' 2021-07-12T14:06:56,932 warning: no previously-included files matching 'ext.c' found under directory 'molmod' 2021-07-12T14:06:56,995 adding license file 'LICENSE.txt' 2021-07-12T14:06:57,006 writing manifest file '/tmp/pip-pip-egg-info-s9nqaaj0/molmod.egg-info/SOURCES.txt' 2021-07-12T14:06:57,120 Source in /tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241 has version 1.4.3, which satisfies requirement molmod==1.4.3 from https://files.pythonhosted.org/packages/0b/85/bb75ec4376a612f3e5300712c5e1abab63894ec1bbf7be249a42a90b2c66/molmod-1.4.3.tar.gz#sha256=a93e694e07e36fe5881dc19b8d004c5c4e0514bc5b1240de04497c6aaa99ecf6 2021-07-12T14:06:57,121 Removed molmod==1.4.3 from https://files.pythonhosted.org/packages/0b/85/bb75ec4376a612f3e5300712c5e1abab63894ec1bbf7be249a42a90b2c66/molmod-1.4.3.tar.gz#sha256=a93e694e07e36fe5881dc19b8d004c5c4e0514bc5b1240de04497c6aaa99ecf6 from build tracker '/tmp/pip-req-tracker-4bl2zoeb' 2021-07-12T14:06:57,125 Created temporary directory: /tmp/pip-unpack-tqsoydo5 2021-07-12T14:06:57,125 Building wheels for collected packages: molmod 2021-07-12T14:06:57,129 Created temporary directory: /tmp/pip-wheel-r6j8l5ti 2021-07-12T14:06:57,129 Building wheel for molmod (setup.py): started 2021-07-12T14:06:57,130 Destination directory: /tmp/pip-wheel-r6j8l5ti 2021-07-12T14:06:57,130 Running command /usr/bin/python3 -u -c 'import io, os, sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/setup.py'"'"';f = getattr(tokenize, '"'"'open'"'"', open)(__file__) if os.path.exists(__file__) else io.StringIO('"'"'from setuptools import setup; setup()'"'"');code = f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' bdist_wheel -d /tmp/pip-wheel-r6j8l5ti 2021-07-12T14:06:58,432 Trying to get the version from git describe 2021-07-12T14:06:58,443 fatal: not a git repository (or any of the parent directories): .git 2021-07-12T14:06:58,444 Trying to get the version from {} /tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/molmod/version.py 2021-07-12T14:06:58,444 Version according to /tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/molmod/version.py: 1.4.3 2021-07-12T14:06:58,645 running bdist_wheel 2021-07-12T14:06:58,650 running build 2021-07-12T14:06:58,650 running build_py 2021-07-12T14:06:58,784 creating build 2021-07-12T14:06:58,785 creating build/lib.linux-armv7l-3.9 2021-07-12T14:06:58,785 creating build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,786 copying molmod/molecular_graphs.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,790 copying molmod/version.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,791 copying molmod/bonds.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,793 copying molmod/similarity.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,796 copying molmod/randomize.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,799 copying molmod/clusters.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,801 copying molmod/isotopes.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,803 copying molmod/binning.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,805 copying molmod/toyff.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,808 copying molmod/constants.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,810 copying molmod/periodic.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,812 copying molmod/graphs.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,817 copying molmod/transformations.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,820 copying molmod/minimizer.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,825 copying molmod/molecules.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,827 copying molmod/utils.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,830 copying molmod/units.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,832 copying molmod/__init__.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,834 copying molmod/zmatrix.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,836 copying molmod/symmetry.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,838 copying molmod/log.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,841 copying molmod/quaternions.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,843 copying molmod/unit_cells.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,846 copying molmod/vectors.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,848 copying molmod/ic.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,850 copying molmod/pairff.py -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:58,855 creating build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,856 copying molmod/test/test_units.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,859 copying molmod/test/test_ic.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,861 copying molmod/test/test_examples.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,863 copying molmod/test/test_toyff.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,866 copying molmod/test/test_graphs.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,869 copying molmod/test/test_randomize.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,871 copying molmod/test/test_zmatrix.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,873 copying molmod/test/test_utils.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,875 copying molmod/test/test_transformations.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,878 copying molmod/test/test_log.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,880 copying molmod/test/test_minimizer.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,882 copying molmod/test/test_clusters.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,884 copying molmod/test/test_unit_cells.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,887 copying molmod/test/test_molecules.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,889 copying molmod/test/test_molecular_graphs.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,892 copying molmod/test/test_vectors.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,894 copying molmod/test/__init__.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,896 copying molmod/test/test_similarity.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,898 copying molmod/test/test_pairff.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,901 copying molmod/test/test_quaternions.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,903 copying molmod/test/test_data.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,904 copying molmod/test/common.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,906 copying molmod/test/test_symmetry.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,908 copying molmod/test/test_binning.py -> build/lib.linux-armv7l-3.9/molmod/test 2021-07-12T14:06:58,912 creating build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,913 copying molmod/io/xyz.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,915 copying molmod/io/crystal.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,918 copying molmod/io/gromacs.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,920 copying molmod/io/lammps.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,922 copying molmod/io/dlpoly.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,924 copying molmod/io/chk.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,926 copying molmod/io/gamess.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,928 copying molmod/io/atrj.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,930 copying molmod/io/cube.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,933 copying molmod/io/cpmd.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,934 copying molmod/io/fchk.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,937 copying molmod/io/sdf.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,939 copying molmod/io/__init__.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,941 copying molmod/io/number_state.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,943 copying molmod/io/cp2k.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,945 copying molmod/io/pdb.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,948 copying molmod/io/psf.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,950 copying molmod/io/cml.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,953 copying molmod/io/common.py -> build/lib.linux-armv7l-3.9/molmod/io 2021-07-12T14:06:58,956 creating build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,957 copying molmod/io/test/test_cml.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,959 copying molmod/io/test/test_psf.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,961 copying molmod/io/test/test_cp2k.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,963 copying molmod/io/test/test_pdb.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,965 copying molmod/io/test/test_chk.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,966 copying molmod/io/test/test_crystal.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,968 copying molmod/io/test/test_gamess.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,970 copying molmod/io/test/test_number_state.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,972 copying molmod/io/test/test_lammps.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,974 copying molmod/io/test/test_cpmd.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,975 copying molmod/io/test/test_dlpoly.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,977 copying molmod/io/test/__init__.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,979 copying molmod/io/test/test_cube.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,981 copying molmod/io/test/test_gromacs.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,983 copying molmod/io/test/test_xyz.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,985 copying molmod/io/test/test_atrj.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,987 copying molmod/io/test/test_sdf.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,988 copying molmod/io/test/test_fchk.py -> build/lib.linux-armv7l-3.9/molmod/io/test 2021-07-12T14:06:58,990 running egg_info 2021-07-12T14:06:59,005 writing molmod.egg-info/PKG-INFO 2021-07-12T14:06:59,006 writing dependency_links to molmod.egg-info/dependency_links.txt 2021-07-12T14:06:59,008 writing requirements to molmod.egg-info/requires.txt 2021-07-12T14:06:59,009 writing top-level names to molmod.egg-info/top_level.txt 2021-07-12T14:06:59,022 reading manifest file 'molmod.egg-info/SOURCES.txt' 2021-07-12T14:06:59,029 reading manifest template 'MANIFEST.in' 2021-07-12T14:06:59,599 warning: no previously-included files matching 'ext.c' found under directory 'molmod' 2021-07-12T14:06:59,653 adding license file 'LICENSE.txt' 2021-07-12T14:06:59,668 writing manifest file 'molmod.egg-info/SOURCES.txt' 2021-07-12T14:06:59,683 copying molmod/common.c -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,685 copying molmod/common.h -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,687 copying molmod/ext.pyx -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,690 copying molmod/ff.c -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,692 copying molmod/ff.h -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,694 copying molmod/ff.pxd -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,696 copying molmod/graphs.c -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,698 copying molmod/graphs.h -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,700 copying molmod/graphs.pxd -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,702 copying molmod/molecules.c -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,704 copying molmod/molecules.h -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,706 copying molmod/molecules.pxd -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,709 copying molmod/similarity.c -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,711 copying molmod/similarity.h -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,713 copying molmod/similarity.pxd -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,715 copying molmod/unit_cells.c -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,718 copying molmod/unit_cells.h -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,720 copying molmod/unit_cells.pxd -> build/lib.linux-armv7l-3.9/molmod 2021-07-12T14:06:59,722 creating build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,723 copying molmod/data/bonds.csv -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,725 copying molmod/data/bonds.ods -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,728 copying molmod/data/mass.mas03 -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,747 copying molmod/data/nubtab03.asc -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,763 copying molmod/data/periodic.csv -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,765 copying molmod/data/periodic.ods -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,768 copying molmod/data/toyff_angles.txt -> build/lib.linux-armv7l-3.9/molmod/data 2021-07-12T14:06:59,772 creating build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,772 copying molmod/data/test/1LJL_Cys10.cml -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,776 copying molmod/data/test/1TOH.b3lyp.fchk -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,794 copying molmod/data/test/1TOH.b3lyp.trim.fchk -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,796 copying molmod/data/test/5ringOH.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,798 copying molmod/data/test/CID_22898828.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,801 copying molmod/data/test/PCGamess_PUNCH -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,821 copying molmod/data/test/SID_31646545.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,824 copying molmod/data/test/SID_31646548.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,826 copying molmod/data/test/SID_40363570.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,828 copying molmod/data/test/SID_40363571.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,830 copying molmod/data/test/SID_41893278.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,832 copying molmod/data/test/SID_41893280.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,834 copying molmod/data/test/SID_54258192.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,837 copying molmod/data/test/SID_55127927.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,839 copying molmod/data/test/SID_55488598.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,841 copying molmod/data/test/SID_56274343.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,843 copying molmod/data/test/TRAJECTORY_H2_CPMD -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,846 copying molmod/data/test/alanine.cube -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,849 copying molmod/data/test/argon.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,851 copying molmod/data/test/bartek.atrj -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,862 copying molmod/data/test/benzene.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,864 copying molmod/data/test/butane.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,866 copying molmod/data/test/caplayer.cml -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,868 copying molmod/data/test/crystal_api.out -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,881 copying molmod/data/test/cyclopentane.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,883 copying molmod/data/test/dinitrogen.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,885 copying molmod/data/test/dlpoly_HISTORY -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,887 copying molmod/data/test/dlpoly_HISTORY_an2 -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,890 copying molmod/data/test/dlpoly_OUTPUT -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,893 copying molmod/data/test/dopamine.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,896 copying molmod/data/test/ethane.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,898 copying molmod/data/test/ethene.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,900 copying molmod/data/test/ethene_ethyl_trans.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,902 copying molmod/data/test/example.sdf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,905 copying molmod/data/test/formol.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,907 copying molmod/data/test/funny.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,910 copying molmod/data/test/h3zrosihohosioh3.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,912 copying molmod/data/test/il2.pdb -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,918 copying molmod/data/test/lammps_dump.txt -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,921 copying molmod/data/test/lau.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,923 copying molmod/data/test/octane.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,925 copying molmod/data/test/oh3siozroh3.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,927 copying molmod/data/test/opt_5ring10T.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,930 copying molmod/data/test/opt_5ring12T.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,932 copying molmod/data/test/opt_6_6ring.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,934 copying molmod/data/test/opt_6ring.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,937 copying molmod/data/test/osih2osihosih2osih2ozrh2oh.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,939 copying molmod/data/test/pentapeptide.psf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,942 copying molmod/data/test/precursor.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,945 copying molmod/data/test/probes.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,947 copying molmod/data/test/tea.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,949 copying molmod/data/test/tetra.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,951 copying molmod/data/test/thf.psf -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,958 copying molmod/data/test/thf.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,963 copying molmod/data/test/thf_64.cell -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,966 copying molmod/data/test/thf_single.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,968 copying molmod/data/test/tpa.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,970 copying molmod/data/test/water.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,973 copying molmod/data/test/water2.gro -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,975 copying molmod/data/test/water_md.inp -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,977 copying molmod/data/test/zr4o8-3.xyz -> build/lib.linux-armv7l-3.9/molmod/data/test 2021-07-12T14:06:59,980 creating build/lib.linux-armv7l-3.9/molmod/examples 2021-07-12T14:06:59,980 creating build/lib.linux-armv7l-3.9/molmod/examples/000_units 2021-07-12T14:06:59,982 copying molmod/examples/000_units/a_reaction.py -> build/lib.linux-armv7l-3.9/molmod/examples/000_units 2021-07-12T14:06:59,984 copying molmod/examples/000_units/b_chbond.py -> build/lib.linux-armv7l-3.9/molmod/examples/000_units 2021-07-12T14:06:59,987 copying molmod/examples/000_units/c_h2rot.py -> build/lib.linux-armv7l-3.9/molmod/examples/000_units 2021-07-12T14:06:59,989 creating build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:06:59,990 copying molmod/examples/001_molecules/a_convert.py -> build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:06:59,993 copying molmod/examples/001_molecules/b_com.py -> build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:06:59,995 copying molmod/examples/001_molecules/c_carbon.py -> build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:06:59,997 copying molmod/examples/001_molecules/d_size.py -> build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:07:00,000 copying molmod/examples/001_molecules/e_shape.py -> build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:07:00,002 copying molmod/examples/001_molecules/ibuprofen.sdf -> build/lib.linux-armv7l-3.9/molmod/examples/001_molecules 2021-07-12T14:07:00,005 creating build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,005 copying molmod/examples/002_graphs/a_graphs.py -> build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,008 copying molmod/examples/002_graphs/b_neighbors.py -> build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,011 copying molmod/examples/002_graphs/c_distances.py -> build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,013 copying molmod/examples/002_graphs/caffeine.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,015 copying molmod/examples/002_graphs/d_symmetries.py -> build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,017 copying molmod/examples/002_graphs/ethanol.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/002_graphs 2021-07-12T14:07:00,020 creating build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,020 copying molmod/examples/003_internal_coordinates/a_bond_length.py -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,023 copying molmod/examples/003_internal_coordinates/b_bending_angles.py -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,026 copying molmod/examples/003_internal_coordinates/c_ff_hessian.py -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,028 copying molmod/examples/003_internal_coordinates/d_dft_hessian.py -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,031 copying molmod/examples/003_internal_coordinates/dopamine.fchk -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,035 copying molmod/examples/003_internal_coordinates/dopamine.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,037 copying molmod/examples/003_internal_coordinates/propane.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates 2021-07-12T14:07:00,040 creating build/lib.linux-armv7l-3.9/molmod/examples/004_patterns 2021-07-12T14:07:00,040 copying molmod/examples/004_patterns/a_propane_types.py -> build/lib.linux-armv7l-3.9/molmod/examples/004_patterns 2021-07-12T14:07:00,043 copying molmod/examples/004_patterns/b_dopamine_types.py -> build/lib.linux-armv7l-3.9/molmod/examples/004_patterns 2021-07-12T14:07:00,045 copying molmod/examples/004_patterns/dopamine.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/004_patterns 2021-07-12T14:07:00,048 copying molmod/examples/004_patterns/mfi_fragment.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/004_patterns 2021-07-12T14:07:00,051 copying molmod/examples/004_patterns/propane.xyz -> build/lib.linux-armv7l-3.9/molmod/examples/004_patterns 2021-07-12T14:07:00,060 running build_ext 2021-07-12T14:07:00,065 cythoning molmod/ext.pyx to molmod/ext.c 2021-07-12T14:07:00,690 /usr/local/lib/python3.9/dist-packages/Cython/Compiler/Main.py:369: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /tmp/pip-wheel-flvwk2jc/molmod_c7b75b88bc604cf6a5e745990383a241/molmod/ext.pyx 2021-07-12T14:07:00,690 tree = Parsing.p_module(s, pxd, full_module_name) 2021-07-12T14:07:08,162 building 'molmod.ext' extension 2021-07-12T14:07:08,163 creating build/temp.linux-armv7l-3.9 2021-07-12T14:07:08,163 creating build/temp.linux-armv7l-3.9/molmod 2021-07-12T14:07:08,164 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/common.c -o build/temp.linux-armv7l-3.9/molmod/common.o 2021-07-12T14:07:08,412 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/ext.c -o build/temp.linux-armv7l-3.9/molmod/ext.o 2021-07-12T14:07:08,810 In file included from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1969, 2021-07-12T14:07:08,810 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/ndarrayobject.h:12, 2021-07-12T14:07:08,810 from /usr/local/lib/python3.9/dist-packages/numpy/core/include/numpy/arrayobject.h:4, 2021-07-12T14:07:08,810 from molmod/ext.c:612: 2021-07-12T14:07:08,810 /usr/local/lib/python3.9/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] 2021-07-12T14:07:08,810 17 | #warning "Using deprecated NumPy API, disable it with " \ 2021-07-12T14:07:08,811 | ^~~~~~~ 2021-07-12T14:07:08,888 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_ff_dm_quad’: 2021-07-12T14:07:08,890 molmod/ext.c:2923:40: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,890 2923 | __pyx_t_3 = (((__pyx_v_dm0.shape[0]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,890 | ^~ 2021-07-12T14:07:08,891 molmod/ext.c:2929:40: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,892 2929 | __pyx_t_3 = (((__pyx_v_dm0.shape[1]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,892 | ^~ 2021-07-12T14:07:08,893 molmod/ext.c:2963:40: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,893 2963 | __pyx_t_3 = (((__pyx_v_dmk.shape[0]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,893 | ^~ 2021-07-12T14:07:08,895 molmod/ext.c:2969:40: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,895 2969 | __pyx_t_3 = (((__pyx_v_dmk.shape[1]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,895 | ^~ 2021-07-12T14:07:08,932 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_2ff_dm_reci’: 2021-07-12T14:07:08,934 molmod/ext.c:3679:42: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,934 3679 | __pyx_t_1 = (((__pyx_v_radii.shape[0]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,934 | ^~ 2021-07-12T14:07:08,936 molmod/ext.c:3711:40: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,936 3711 | __pyx_t_3 = (((__pyx_v_dm0.shape[0]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,936 | ^~ 2021-07-12T14:07:08,938 molmod/ext.c:3717:40: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,938 3717 | __pyx_t_3 = (((__pyx_v_dm0.shape[1]) != __pyx_v_natom) != 0); 2021-07-12T14:07:08,938 | ^~ 2021-07-12T14:07:08,983 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_4ff_bond_quad’: 2021-07-12T14:07:08,985 molmod/ext.c:4583:44: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:08,985 4583 | __pyx_t_1 = (((__pyx_v_lengths.shape[0]) != __pyx_v_npair) != 0); 2021-07-12T14:07:08,986 | ^~ 2021-07-12T14:07:09,033 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_6ff_bond_hyper’: 2021-07-12T14:07:09,035 molmod/ext.c:5327:44: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:09,035 5327 | __pyx_t_1 = (((__pyx_v_lengths.shape[0]) != __pyx_v_npair) != 0); 2021-07-12T14:07:09,035 | ^~ 2021-07-12T14:07:09,083 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_8graphs_floyd_warshall’: 2021-07-12T14:07:09,086 molmod/ext.c:5858:39: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:09,086 5858 | __pyx_t_1 = (((__pyx_v_dm.shape[1]) != __pyx_v_nvertex) != 0); 2021-07-12T14:07:09,087 | ^~ 2021-07-12T14:07:09,145 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_12similarity_table_labels’: 2021-07-12T14:07:09,149 molmod/ext.c:6700:39: warning: passing argument 2 of ‘similarity_table_labels’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 2021-07-12T14:07:09,149 6700 | similarity_table_labels(__pyx_v_n, (&(*((long const *) ( /* dim=0 */ ((char *) (((long const *) __pyx_v_labels.data) + __pyx_t_6)) )))), (&(*__Pyx_BufPtrStrided2d(long *, __pyx_pybuffernd_labels_table.rcbuffer->pybuffer.buf, __pyx_t_8, __pyx_pybuffernd_labels_table.diminfo[0].strides, __pyx_t_9, __pyx_pybuffernd_labels_table.diminfo[1].strides)))); 2021-07-12T14:07:09,149 | ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-12T14:07:09,149 In file included from molmod/ext.c:623: 2021-07-12T14:07:09,150 molmod/similarity.h:30:46: note: expected ‘long int *’ but argument is of type ‘const long int *’ 2021-07-12T14:07:09,150 30 | void similarity_table_labels(size_t n, long *labels, long* labels_table); 2021-07-12T14:07:09,150 | ~~~~~~^~~~~~ 2021-07-12T14:07:09,151 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_14similarity_table_distances’: 2021-07-12T14:07:09,154 molmod/ext.c:6831:52: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:09,154 6831 | __pyx_t_1 = (((__pyx_v_distance_matrix.shape[1]) != __pyx_v_n) != 0); 2021-07-12T14:07:09,155 | ^~ 2021-07-12T14:07:09,169 molmod/ext.c:6929:42: warning: passing argument 2 of ‘similarity_table_distances’ discards ‘const’ qualifier from pointer target type [-Wdiscarded-qualifiers] 2021-07-12T14:07:09,169 6929 | similarity_table_distances(__pyx_v_n, (&(*((double const *) ( /* dim=1 */ ((char *) (((double const *) ( /* dim=0 */ (__pyx_v_distance_matrix.data + __pyx_t_7 * __pyx_v_distance_matrix.strides[0]) )) + __pyx_t_8)) )))), (&(*__Pyx_BufPtrStrided1d(double *, __pyx_pybuffernd_distances_table.rcbuffer->pybuffer.buf, __pyx_t_10, __pyx_pybuffernd_distances_table.diminfo[0].strides)))); 2021-07-12T14:07:09,169 | ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2021-07-12T14:07:09,170 In file included from molmod/ext.c:623: 2021-07-12T14:07:09,170 molmod/similarity.h:31:51: note: expected ‘double *’ but argument is of type ‘const double *’ 2021-07-12T14:07:09,170 31 | void similarity_table_distances(size_t n, double *distance_matrix, double *distances_table); 2021-07-12T14:07:09,170 | ~~~~~~~~^~~~~~~~~~~~~~~ 2021-07-12T14:07:09,176 molmod/ext.c: In function ‘__pyx_pf_6molmod_3ext_16similarity_measure’: 2021-07-12T14:07:09,180 molmod/ext.c:7185:47: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:09,180 7185 | __pyx_t_1 = (((__pyx_v_distances1.shape[0]) != __pyx_v_n1) != 0); 2021-07-12T14:07:09,180 | ^~ 2021-07-12T14:07:09,184 molmod/ext.c:7249:47: warning: comparison of integer expressions of different signedness: ‘Py_ssize_t’ {aka ‘int’} and ‘size_t’ {aka ‘unsigned int’} [-Wsign-compare] 2021-07-12T14:07:09,184 7249 | __pyx_t_1 = (((__pyx_v_distances2.shape[0]) != __pyx_v_n2) != 0); 2021-07-12T14:07:09,185 | ^~ 2021-07-12T14:07:25,298 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/ff.c -o build/temp.linux-armv7l-3.9/molmod/ff.o 2021-07-12T14:07:25,639 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/graphs.c -o build/temp.linux-armv7l-3.9/molmod/graphs.o 2021-07-12T14:07:25,768 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/molecules.c -o build/temp.linux-armv7l-3.9/molmod/molecules.o 2021-07-12T14:07:25,929 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/similarity.c -o build/temp.linux-armv7l-3.9/molmod/similarity.o 2021-07-12T14:07:26,163 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/usr/local/lib/python3.9/dist-packages/numpy/core/include -I/usr/include/python3.9 -c molmod/unit_cells.c -o build/temp.linux-armv7l-3.9/molmod/unit_cells.o 2021-07-12T14:07:26,512 arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -fwrapv -O2 -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-3.9/molmod/common.o build/temp.linux-armv7l-3.9/molmod/ext.o build/temp.linux-armv7l-3.9/molmod/ff.o build/temp.linux-armv7l-3.9/molmod/graphs.o build/temp.linux-armv7l-3.9/molmod/molecules.o build/temp.linux-armv7l-3.9/molmod/similarity.o build/temp.linux-armv7l-3.9/molmod/unit_cells.o -o build/lib.linux-armv7l-3.9/molmod/ext.cpython-39-arm-linux-gnueabihf.so 2021-07-12T14:07:26,708 installing to build/bdist.linux-armv7l/wheel 2021-07-12T14:07:26,709 running install 2021-07-12T14:07:26,710 running install_lib 2021-07-12T14:07:26,715 creating build/bdist.linux-armv7l 2021-07-12T14:07:26,715 creating build/bdist.linux-armv7l/wheel 2021-07-12T14:07:26,718 creating build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,719 copying build/lib.linux-armv7l-3.9/molmod/molecules.pxd -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,721 copying build/lib.linux-armv7l-3.9/molmod/ff.h -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,723 copying build/lib.linux-armv7l-3.9/molmod/molecular_graphs.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,726 copying build/lib.linux-armv7l-3.9/molmod/version.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,728 copying build/lib.linux-armv7l-3.9/molmod/ext.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,762 copying build/lib.linux-armv7l-3.9/molmod/bonds.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,765 creating build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,766 copying build/lib.linux-armv7l-3.9/molmod/io/xyz.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,769 copying build/lib.linux-armv7l-3.9/molmod/io/crystal.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,771 copying build/lib.linux-armv7l-3.9/molmod/io/gromacs.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,774 copying build/lib.linux-armv7l-3.9/molmod/io/lammps.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,776 copying build/lib.linux-armv7l-3.9/molmod/io/dlpoly.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,779 copying build/lib.linux-armv7l-3.9/molmod/io/chk.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,781 copying build/lib.linux-armv7l-3.9/molmod/io/gamess.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,784 copying build/lib.linux-armv7l-3.9/molmod/io/atrj.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,786 copying build/lib.linux-armv7l-3.9/molmod/io/cube.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,788 copying build/lib.linux-armv7l-3.9/molmod/io/cpmd.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,791 copying build/lib.linux-armv7l-3.9/molmod/io/fchk.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,793 copying build/lib.linux-armv7l-3.9/molmod/io/sdf.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,795 copying build/lib.linux-armv7l-3.9/molmod/io/__init__.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,797 copying build/lib.linux-armv7l-3.9/molmod/io/number_state.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,800 copying build/lib.linux-armv7l-3.9/molmod/io/cp2k.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,802 copying build/lib.linux-armv7l-3.9/molmod/io/pdb.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,805 copying build/lib.linux-armv7l-3.9/molmod/io/psf.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,808 copying build/lib.linux-armv7l-3.9/molmod/io/cml.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,810 copying build/lib.linux-armv7l-3.9/molmod/io/common.py -> build/bdist.linux-armv7l/wheel/molmod/io 2021-07-12T14:07:26,813 creating build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,814 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_cml.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,817 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_psf.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,819 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_cp2k.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,822 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_pdb.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,824 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_chk.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,826 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_crystal.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,829 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_gamess.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,831 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_number_state.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,833 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_lammps.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,835 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_cpmd.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,838 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_dlpoly.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,840 copying build/lib.linux-armv7l-3.9/molmod/io/test/__init__.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,843 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_cube.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,845 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_gromacs.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,848 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_xyz.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,850 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_atrj.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,852 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_sdf.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,854 copying build/lib.linux-armv7l-3.9/molmod/io/test/test_fchk.py -> build/bdist.linux-armv7l/wheel/molmod/io/test 2021-07-12T14:07:26,857 copying build/lib.linux-armv7l-3.9/molmod/similarity.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,859 copying build/lib.linux-armv7l-3.9/molmod/randomize.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,862 copying build/lib.linux-armv7l-3.9/molmod/molecules.h -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,864 copying build/lib.linux-armv7l-3.9/molmod/similarity.c -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,866 copying build/lib.linux-armv7l-3.9/molmod/clusters.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,869 copying build/lib.linux-armv7l-3.9/molmod/isotopes.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,871 copying build/lib.linux-armv7l-3.9/molmod/binning.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,874 copying build/lib.linux-armv7l-3.9/molmod/toyff.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:26,877 creating build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,878 copying build/lib.linux-armv7l-3.9/molmod/data/nubtab03.asc -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,893 copying build/lib.linux-armv7l-3.9/molmod/data/bonds.csv -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,895 copying build/lib.linux-armv7l-3.9/molmod/data/bonds.ods -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,898 copying build/lib.linux-armv7l-3.9/molmod/data/mass.mas03 -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,910 copying build/lib.linux-armv7l-3.9/molmod/data/periodic.csv -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,913 copying build/lib.linux-armv7l-3.9/molmod/data/toyff_angles.txt -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,918 copying build/lib.linux-armv7l-3.9/molmod/data/periodic.ods -> build/bdist.linux-armv7l/wheel/molmod/data 2021-07-12T14:07:26,923 creating build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,923 copying build/lib.linux-armv7l-3.9/molmod/data/test/osih2osihosih2osih2ozrh2oh.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,925 copying build/lib.linux-armv7l-3.9/molmod/data/test/h3zrosihohosioh3.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,927 copying build/lib.linux-armv7l-3.9/molmod/data/test/dlpoly_HISTORY_an2 -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,930 copying build/lib.linux-armv7l-3.9/molmod/data/test/water_md.inp -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,932 copying build/lib.linux-armv7l-3.9/molmod/data/test/lammps_dump.txt -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,935 copying build/lib.linux-armv7l-3.9/molmod/data/test/tetra.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,937 copying build/lib.linux-armv7l-3.9/molmod/data/test/thf.psf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,947 copying build/lib.linux-armv7l-3.9/molmod/data/test/water2.gro -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,949 copying build/lib.linux-armv7l-3.9/molmod/data/test/argon.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,951 copying build/lib.linux-armv7l-3.9/molmod/data/test/il2.pdb -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,960 copying build/lib.linux-armv7l-3.9/molmod/data/test/benzene.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,962 copying build/lib.linux-armv7l-3.9/molmod/data/test/cyclopentane.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,964 copying build/lib.linux-armv7l-3.9/molmod/data/test/alanine.cube -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,967 copying build/lib.linux-armv7l-3.9/molmod/data/test/crystal_api.out -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,987 copying build/lib.linux-armv7l-3.9/molmod/data/test/dinitrogen.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,989 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_41893280.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,991 copying build/lib.linux-armv7l-3.9/molmod/data/test/zr4o8-3.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,993 copying build/lib.linux-armv7l-3.9/molmod/data/test/CID_22898828.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,995 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_55488598.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,996 copying build/lib.linux-armv7l-3.9/molmod/data/test/oh3siozroh3.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:26,998 copying build/lib.linux-armv7l-3.9/molmod/data/test/1TOH.b3lyp.trim.fchk -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,000 copying build/lib.linux-armv7l-3.9/molmod/data/test/caplayer.cml -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,003 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_55127927.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,004 copying build/lib.linux-armv7l-3.9/molmod/data/test/bartek.atrj -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,016 copying build/lib.linux-armv7l-3.9/molmod/data/test/water.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,018 copying build/lib.linux-armv7l-3.9/molmod/data/test/PCGamess_PUNCH -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,052 copying build/lib.linux-armv7l-3.9/molmod/data/test/pentapeptide.psf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,055 copying build/lib.linux-armv7l-3.9/molmod/data/test/precursor.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,058 copying build/lib.linux-armv7l-3.9/molmod/data/test/dopamine.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,060 copying build/lib.linux-armv7l-3.9/molmod/data/test/dlpoly_HISTORY -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,062 copying build/lib.linux-armv7l-3.9/molmod/data/test/opt_5ring10T.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,064 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_41893278.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,066 copying build/lib.linux-armv7l-3.9/molmod/data/test/1TOH.b3lyp.fchk -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,086 copying build/lib.linux-armv7l-3.9/molmod/data/test/ethene.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,088 copying build/lib.linux-armv7l-3.9/molmod/data/test/5ringOH.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,090 copying build/lib.linux-armv7l-3.9/molmod/data/test/tea.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,092 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_54258192.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,094 copying build/lib.linux-armv7l-3.9/molmod/data/test/thf.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,097 copying build/lib.linux-armv7l-3.9/molmod/data/test/ethene_ethyl_trans.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,100 copying build/lib.linux-armv7l-3.9/molmod/data/test/example.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,102 copying build/lib.linux-armv7l-3.9/molmod/data/test/ethane.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,104 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_40363571.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,106 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_56274343.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,108 copying build/lib.linux-armv7l-3.9/molmod/data/test/thf_64.cell -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,110 copying build/lib.linux-armv7l-3.9/molmod/data/test/octane.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,112 copying build/lib.linux-armv7l-3.9/molmod/data/test/formol.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,114 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_40363570.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,116 copying build/lib.linux-armv7l-3.9/molmod/data/test/opt_5ring12T.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,119 copying build/lib.linux-armv7l-3.9/molmod/data/test/opt_6_6ring.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,121 copying build/lib.linux-armv7l-3.9/molmod/data/test/butane.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,123 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_31646545.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,125 copying build/lib.linux-armv7l-3.9/molmod/data/test/probes.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,127 copying build/lib.linux-armv7l-3.9/molmod/data/test/1LJL_Cys10.cml -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,131 copying build/lib.linux-armv7l-3.9/molmod/data/test/funny.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,133 copying build/lib.linux-armv7l-3.9/molmod/data/test/SID_31646548.sdf -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,135 copying build/lib.linux-armv7l-3.9/molmod/data/test/thf_single.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,137 copying build/lib.linux-armv7l-3.9/molmod/data/test/opt_6ring.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,140 copying build/lib.linux-armv7l-3.9/molmod/data/test/lau.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,142 copying build/lib.linux-armv7l-3.9/molmod/data/test/TRAJECTORY_H2_CPMD -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,144 copying build/lib.linux-armv7l-3.9/molmod/data/test/tpa.xyz -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,146 copying build/lib.linux-armv7l-3.9/molmod/data/test/dlpoly_OUTPUT -> build/bdist.linux-armv7l/wheel/molmod/data/test 2021-07-12T14:07:27,150 copying build/lib.linux-armv7l-3.9/molmod/constants.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,153 copying build/lib.linux-armv7l-3.9/molmod/periodic.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,156 copying build/lib.linux-armv7l-3.9/molmod/common.h -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,158 copying build/lib.linux-armv7l-3.9/molmod/molecules.c -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,160 copying build/lib.linux-armv7l-3.9/molmod/common.c -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,162 copying build/lib.linux-armv7l-3.9/molmod/similarity.h -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,165 copying build/lib.linux-armv7l-3.9/molmod/graphs.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,171 copying build/lib.linux-armv7l-3.9/molmod/transformations.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,174 copying build/lib.linux-armv7l-3.9/molmod/unit_cells.pxd -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,176 copying build/lib.linux-armv7l-3.9/molmod/minimizer.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,180 copying build/lib.linux-armv7l-3.9/molmod/ff.pxd -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,182 copying build/lib.linux-armv7l-3.9/molmod/graphs.c -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,184 copying build/lib.linux-armv7l-3.9/molmod/molecules.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,186 copying build/lib.linux-armv7l-3.9/molmod/utils.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,189 copying build/lib.linux-armv7l-3.9/molmod/similarity.pxd -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,191 copying build/lib.linux-armv7l-3.9/molmod/units.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,193 copying build/lib.linux-armv7l-3.9/molmod/__init__.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,196 copying build/lib.linux-armv7l-3.9/molmod/ext.pyx -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,199 copying build/lib.linux-armv7l-3.9/molmod/zmatrix.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,202 copying build/lib.linux-armv7l-3.9/molmod/unit_cells.h -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,204 copying build/lib.linux-armv7l-3.9/molmod/unit_cells.c -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,207 copying build/lib.linux-armv7l-3.9/molmod/symmetry.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,209 copying build/lib.linux-armv7l-3.9/molmod/log.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,212 copying build/lib.linux-armv7l-3.9/molmod/quaternions.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,214 copying build/lib.linux-armv7l-3.9/molmod/ff.c -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,217 copying build/lib.linux-armv7l-3.9/molmod/graphs.pxd -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,219 copying build/lib.linux-armv7l-3.9/molmod/unit_cells.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,222 copying build/lib.linux-armv7l-3.9/molmod/vectors.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,225 creating build/bdist.linux-armv7l/wheel/molmod/examples 2021-07-12T14:07:27,227 creating build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,228 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/d_dft_hessian.py -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,231 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/dopamine.fchk -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,236 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/a_bond_length.py -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,238 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/dopamine.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,240 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/b_bending_angles.py -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,243 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/propane.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,245 copying build/lib.linux-armv7l-3.9/molmod/examples/003_internal_coordinates/c_ff_hessian.py -> build/bdist.linux-armv7l/wheel/molmod/examples/003_internal_coordinates 2021-07-12T14:07:27,248 creating build/bdist.linux-armv7l/wheel/molmod/examples/000_units 2021-07-12T14:07:27,249 copying build/lib.linux-armv7l-3.9/molmod/examples/000_units/b_chbond.py -> build/bdist.linux-armv7l/wheel/molmod/examples/000_units 2021-07-12T14:07:27,252 copying build/lib.linux-armv7l-3.9/molmod/examples/000_units/a_reaction.py -> build/bdist.linux-armv7l/wheel/molmod/examples/000_units 2021-07-12T14:07:27,254 copying build/lib.linux-armv7l-3.9/molmod/examples/000_units/c_h2rot.py -> build/bdist.linux-armv7l/wheel/molmod/examples/000_units 2021-07-12T14:07:27,257 creating build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,258 copying build/lib.linux-armv7l-3.9/molmod/examples/001_molecules/ibuprofen.sdf -> build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,260 copying build/lib.linux-armv7l-3.9/molmod/examples/001_molecules/b_com.py -> build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,263 copying build/lib.linux-armv7l-3.9/molmod/examples/001_molecules/a_convert.py -> build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,265 copying build/lib.linux-armv7l-3.9/molmod/examples/001_molecules/c_carbon.py -> build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,267 copying build/lib.linux-armv7l-3.9/molmod/examples/001_molecules/e_shape.py -> build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,269 copying build/lib.linux-armv7l-3.9/molmod/examples/001_molecules/d_size.py -> build/bdist.linux-armv7l/wheel/molmod/examples/001_molecules 2021-07-12T14:07:27,272 creating build/bdist.linux-armv7l/wheel/molmod/examples/004_patterns 2021-07-12T14:07:27,273 copying build/lib.linux-armv7l-3.9/molmod/examples/004_patterns/b_dopamine_types.py -> build/bdist.linux-armv7l/wheel/molmod/examples/004_patterns 2021-07-12T14:07:27,275 copying build/lib.linux-armv7l-3.9/molmod/examples/004_patterns/dopamine.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/004_patterns 2021-07-12T14:07:27,277 copying build/lib.linux-armv7l-3.9/molmod/examples/004_patterns/mfi_fragment.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/004_patterns 2021-07-12T14:07:27,280 copying build/lib.linux-armv7l-3.9/molmod/examples/004_patterns/propane.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/004_patterns 2021-07-12T14:07:27,282 copying build/lib.linux-armv7l-3.9/molmod/examples/004_patterns/a_propane_types.py -> build/bdist.linux-armv7l/wheel/molmod/examples/004_patterns 2021-07-12T14:07:27,285 creating build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,286 copying build/lib.linux-armv7l-3.9/molmod/examples/002_graphs/b_neighbors.py -> build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,288 copying build/lib.linux-armv7l-3.9/molmod/examples/002_graphs/caffeine.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,290 copying build/lib.linux-armv7l-3.9/molmod/examples/002_graphs/a_graphs.py -> build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,292 copying build/lib.linux-armv7l-3.9/molmod/examples/002_graphs/ethanol.xyz -> build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,295 copying build/lib.linux-armv7l-3.9/molmod/examples/002_graphs/d_symmetries.py -> build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,297 copying build/lib.linux-armv7l-3.9/molmod/examples/002_graphs/c_distances.py -> build/bdist.linux-armv7l/wheel/molmod/examples/002_graphs 2021-07-12T14:07:27,299 copying build/lib.linux-armv7l-3.9/molmod/graphs.h -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,303 creating build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,304 copying build/lib.linux-armv7l-3.9/molmod/test/test_units.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,306 copying build/lib.linux-armv7l-3.9/molmod/test/test_ic.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,309 copying build/lib.linux-armv7l-3.9/molmod/test/test_examples.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,311 copying build/lib.linux-armv7l-3.9/molmod/test/test_toyff.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,314 copying build/lib.linux-armv7l-3.9/molmod/test/test_graphs.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,317 copying build/lib.linux-armv7l-3.9/molmod/test/test_randomize.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,320 copying build/lib.linux-armv7l-3.9/molmod/test/test_zmatrix.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,323 copying build/lib.linux-armv7l-3.9/molmod/test/test_utils.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,325 copying build/lib.linux-armv7l-3.9/molmod/test/test_transformations.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,329 copying build/lib.linux-armv7l-3.9/molmod/test/test_log.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,331 copying build/lib.linux-armv7l-3.9/molmod/test/test_minimizer.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,334 copying build/lib.linux-armv7l-3.9/molmod/test/test_clusters.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,337 copying build/lib.linux-armv7l-3.9/molmod/test/test_unit_cells.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,340 copying build/lib.linux-armv7l-3.9/molmod/test/test_molecules.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,343 copying build/lib.linux-armv7l-3.9/molmod/test/test_molecular_graphs.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,346 copying build/lib.linux-armv7l-3.9/molmod/test/test_vectors.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,349 copying build/lib.linux-armv7l-3.9/molmod/test/__init__.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,351 copying build/lib.linux-armv7l-3.9/molmod/test/test_similarity.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,353 copying build/lib.linux-armv7l-3.9/molmod/test/test_pairff.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,356 copying build/lib.linux-armv7l-3.9/molmod/test/test_quaternions.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,359 copying build/lib.linux-armv7l-3.9/molmod/test/test_data.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,361 copying build/lib.linux-armv7l-3.9/molmod/test/common.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,363 copying build/lib.linux-armv7l-3.9/molmod/test/test_symmetry.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,365 copying build/lib.linux-armv7l-3.9/molmod/test/test_binning.py -> build/bdist.linux-armv7l/wheel/molmod/test 2021-07-12T14:07:27,368 copying build/lib.linux-armv7l-3.9/molmod/ic.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,371 copying build/lib.linux-armv7l-3.9/molmod/pairff.py -> build/bdist.linux-armv7l/wheel/molmod 2021-07-12T14:07:27,374 running install_egg_info 2021-07-12T14:07:27,384 Copying molmod.egg-info to build/bdist.linux-armv7l/wheel/molmod-1.4.3-py3.9.egg-info 2021-07-12T14:07:27,401 running install_scripts 2021-07-12T14:07:27,458 adding license file "LICENSE.txt" (matched pattern "LICEN[CS]E*") 2021-07-12T14:07:27,465 creating build/bdist.linux-armv7l/wheel/molmod-1.4.3.dist-info/WHEEL 2021-07-12T14:07:27,468 creating '/tmp/pip-wheel-r6j8l5ti/molmod-1.4.3-cp39-cp39-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2021-07-12T14:07:27,472 adding 'molmod/__init__.py' 2021-07-12T14:07:27,475 adding 'molmod/binning.py' 2021-07-12T14:07:27,477 adding 'molmod/bonds.py' 2021-07-12T14:07:27,479 adding 'molmod/clusters.py' 2021-07-12T14:07:27,481 adding 'molmod/common.c' 2021-07-12T14:07:27,483 adding 'molmod/common.h' 2021-07-12T14:07:27,485 adding 'molmod/constants.py' 2021-07-12T14:07:27,711 adding 'molmod/ext.cpython-39-arm-linux-gnueabihf.so' 2021-07-12T14:07:27,721 adding 'molmod/ext.pyx' 2021-07-12T14:07:27,723 adding 'molmod/ff.c' 2021-07-12T14:07:27,724 adding 'molmod/ff.h' 2021-07-12T14:07:27,725 adding 'molmod/ff.pxd' 2021-07-12T14:07:27,727 adding 'molmod/graphs.c' 2021-07-12T14:07:27,728 adding 'molmod/graphs.h' 2021-07-12T14:07:27,729 adding 'molmod/graphs.pxd' 2021-07-12T14:07:27,738 adding 'molmod/graphs.py' 2021-07-12T14:07:27,742 adding 'molmod/ic.py' 2021-07-12T14:07:27,743 adding 'molmod/isotopes.py' 2021-07-12T14:07:27,746 adding 'molmod/log.py' 2021-07-12T14:07:27,755 adding 'molmod/minimizer.py' 2021-07-12T14:07:27,758 adding 'molmod/molecular_graphs.py' 2021-07-12T14:07:27,760 adding 'molmod/molecules.c' 2021-07-12T14:07:27,761 adding 'molmod/molecules.h' 2021-07-12T14:07:27,762 adding 'molmod/molecules.pxd' 2021-07-12T14:07:27,764 adding 'molmod/molecules.py' 2021-07-12T14:07:27,766 adding 'molmod/pairff.py' 2021-07-12T14:07:27,768 adding 'molmod/periodic.py' 2021-07-12T14:07:27,769 adding 'molmod/quaternions.py' 2021-07-12T14:07:27,772 adding 'molmod/randomize.py' 2021-07-12T14:07:27,773 adding 'molmod/similarity.c' 2021-07-12T14:07:27,775 adding 'molmod/similarity.h' 2021-07-12T14:07:27,776 adding 'molmod/similarity.pxd' 2021-07-12T14:07:27,777 adding 'molmod/similarity.py' 2021-07-12T14:07:27,779 adding 'molmod/symmetry.py' 2021-07-12T14:07:27,781 adding 'molmod/toyff.py' 2021-07-12T14:07:27,783 adding 'molmod/transformations.py' 2021-07-12T14:07:27,785 adding 'molmod/unit_cells.c' 2021-07-12T14:07:27,786 adding 'molmod/unit_cells.h' 2021-07-12T14:07:27,788 adding 'molmod/unit_cells.pxd' 2021-07-12T14:07:27,790 adding 'molmod/unit_cells.py' 2021-07-12T14:07:27,792 adding 'molmod/units.py' 2021-07-12T14:07:27,794 adding 'molmod/utils.py' 2021-07-12T14:07:27,795 adding 'molmod/vectors.py' 2021-07-12T14:07:27,797 adding 'molmod/version.py' 2021-07-12T14:07:27,798 adding 'molmod/zmatrix.py' 2021-07-12T14:07:27,800 adding 'molmod/data/bonds.csv' 2021-07-12T14:07:27,803 adding 'molmod/data/bonds.ods' 2021-07-12T14:07:27,887 adding 'molmod/data/mass.mas03' 2021-07-12T14:07:27,970 adding 'molmod/data/nubtab03.asc' 2021-07-12T14:07:27,977 adding 'molmod/data/periodic.csv' 2021-07-12T14:07:27,983 adding 'molmod/data/periodic.ods' 2021-07-12T14:07:28,004 adding 'molmod/data/toyff_angles.txt' 2021-07-12T14:07:28,012 adding 'molmod/data/test/1LJL_Cys10.cml' 2021-07-12T14:07:28,144 adding 'molmod/data/test/1TOH.b3lyp.fchk' 2021-07-12T14:07:28,149 adding 'molmod/data/test/1TOH.b3lyp.trim.fchk' 2021-07-12T14:07:28,151 adding 'molmod/data/test/5ringOH.xyz' 2021-07-12T14:07:28,152 adding 'molmod/data/test/CID_22898828.sdf' 2021-07-12T14:07:28,396 adding 'molmod/data/test/PCGamess_PUNCH' 2021-07-12T14:07:28,405 adding 'molmod/data/test/SID_31646545.sdf' 2021-07-12T14:07:28,406 adding 'molmod/data/test/SID_31646548.sdf' 2021-07-12T14:07:28,407 adding 'molmod/data/test/SID_40363570.sdf' 2021-07-12T14:07:28,409 adding 'molmod/data/test/SID_40363571.sdf' 2021-07-12T14:07:28,410 adding 'molmod/data/test/SID_41893278.sdf' 2021-07-12T14:07:28,411 adding 'molmod/data/test/SID_41893280.sdf' 2021-07-12T14:07:28,413 adding 'molmod/data/test/SID_54258192.sdf' 2021-07-12T14:07:28,414 adding 'molmod/data/test/SID_55127927.sdf' 2021-07-12T14:07:28,415 adding 'molmod/data/test/SID_55488598.sdf' 2021-07-12T14:07:28,416 adding 'molmod/data/test/SID_56274343.sdf' 2021-07-12T14:07:28,418 adding 'molmod/data/test/TRAJECTORY_H2_CPMD' 2021-07-12T14:07:28,421 adding 'molmod/data/test/alanine.cube' 2021-07-12T14:07:28,423 adding 'molmod/data/test/argon.xyz' 2021-07-12T14:07:28,499 adding 'molmod/data/test/bartek.atrj' 2021-07-12T14:07:28,503 adding 'molmod/data/test/benzene.xyz' 2021-07-12T14:07:28,504 adding 'molmod/data/test/butane.xyz' 2021-07-12T14:07:28,506 adding 'molmod/data/test/caplayer.cml' 2021-07-12T14:07:28,573 adding 'molmod/data/test/crystal_api.out' 2021-07-12T14:07:28,578 adding 'molmod/data/test/cyclopentane.xyz' 2021-07-12T14:07:28,579 adding 'molmod/data/test/dinitrogen.xyz' 2021-07-12T14:07:28,581 adding 'molmod/data/test/dlpoly_HISTORY' 2021-07-12T14:07:28,582 adding 'molmod/data/test/dlpoly_HISTORY_an2' 2021-07-12T14:07:28,587 adding 'molmod/data/test/dlpoly_OUTPUT' 2021-07-12T14:07:28,588 adding 'molmod/data/test/dopamine.xyz' 2021-07-12T14:07:28,589 adding 'molmod/data/test/ethane.xyz' 2021-07-12T14:07:28,591 adding 'molmod/data/test/ethene.xyz' 2021-07-12T14:07:28,592 adding 'molmod/data/test/ethene_ethyl_trans.xyz' 2021-07-12T14:07:28,593 adding 'molmod/data/test/example.sdf' 2021-07-12T14:07:28,594 adding 'molmod/data/test/formol.xyz' 2021-07-12T14:07:28,596 adding 'molmod/data/test/funny.xyz' 2021-07-12T14:07:28,597 adding 'molmod/data/test/h3zrosihohosioh3.xyz' 2021-07-12T14:07:28,627 adding 'molmod/data/test/il2.pdb' 2021-07-12T14:07:28,631 adding 'molmod/data/test/lammps_dump.txt' 2021-07-12T14:07:28,633 adding 'molmod/data/test/lau.xyz' 2021-07-12T14:07:28,634 adding 'molmod/data/test/octane.xyz' 2021-07-12T14:07:28,635 adding 'molmod/data/test/oh3siozroh3.xyz' 2021-07-12T14:07:28,636 adding 'molmod/data/test/opt_5ring10T.xyz' 2021-07-12T14:07:28,638 adding 'molmod/data/test/opt_5ring12T.xyz' 2021-07-12T14:07:28,639 adding 'molmod/data/test/opt_6_6ring.xyz' 2021-07-12T14:07:28,640 adding 'molmod/data/test/opt_6ring.xyz' 2021-07-12T14:07:28,641 adding 'molmod/data/test/osih2osihosih2osih2ozrh2oh.xyz' 2021-07-12T14:07:28,643 adding 'molmod/data/test/pentapeptide.psf' 2021-07-12T14:07:28,645 adding 'molmod/data/test/precursor.xyz' 2021-07-12T14:07:28,646 adding 'molmod/data/test/probes.xyz' 2021-07-12T14:07:28,647 adding 'molmod/data/test/tea.xyz' 2021-07-12T14:07:28,649 adding 'molmod/data/test/tetra.xyz' 2021-07-12T14:07:28,668 adding 'molmod/data/test/thf.psf' 2021-07-12T14:07:28,676 adding 'molmod/data/test/thf.xyz' 2021-07-12T14:07:28,678 adding 'molmod/data/test/thf_64.cell' 2021-07-12T14:07:28,679 adding 'molmod/data/test/thf_single.xyz' 2021-07-12T14:07:28,680 adding 'molmod/data/test/tpa.xyz' 2021-07-12T14:07:28,681 adding 'molmod/data/test/water.xyz' 2021-07-12T14:07:28,682 adding 'molmod/data/test/water2.gro' 2021-07-12T14:07:28,683 adding 'molmod/data/test/water_md.inp' 2021-07-12T14:07:28,684 adding 'molmod/data/test/zr4o8-3.xyz' 2021-07-12T14:07:28,687 adding 'molmod/examples/000_units/a_reaction.py' 2021-07-12T14:07:28,688 adding 'molmod/examples/000_units/b_chbond.py' 2021-07-12T14:07:28,689 adding 'molmod/examples/000_units/c_h2rot.py' 2021-07-12T14:07:28,690 adding 'molmod/examples/001_molecules/a_convert.py' 2021-07-12T14:07:28,691 adding 'molmod/examples/001_molecules/b_com.py' 2021-07-12T14:07:28,693 adding 'molmod/examples/001_molecules/c_carbon.py' 2021-07-12T14:07:28,694 adding 'molmod/examples/001_molecules/d_size.py' 2021-07-12T14:07:28,695 adding 'molmod/examples/001_molecules/e_shape.py' 2021-07-12T14:07:28,696 adding 'molmod/examples/001_molecules/ibuprofen.sdf' 2021-07-12T14:07:28,698 adding 'molmod/examples/002_graphs/a_graphs.py' 2021-07-12T14:07:28,700 adding 'molmod/examples/002_graphs/b_neighbors.py' 2021-07-12T14:07:28,701 adding 'molmod/examples/002_graphs/c_distances.py' 2021-07-12T14:07:28,702 adding 'molmod/examples/002_graphs/caffeine.xyz' 2021-07-12T14:07:28,703 adding 'molmod/examples/002_graphs/d_symmetries.py' 2021-07-12T14:07:28,704 adding 'molmod/examples/002_graphs/ethanol.xyz' 2021-07-12T14:07:28,706 adding 'molmod/examples/003_internal_coordinates/a_bond_length.py' 2021-07-12T14:07:28,707 adding 'molmod/examples/003_internal_coordinates/b_bending_angles.py' 2021-07-12T14:07:28,709 adding 'molmod/examples/003_internal_coordinates/c_ff_hessian.py' 2021-07-12T14:07:28,710 adding 'molmod/examples/003_internal_coordinates/d_dft_hessian.py' 2021-07-12T14:07:28,720 adding 'molmod/examples/003_internal_coordinates/dopamine.fchk' 2021-07-12T14:07:28,722 adding 'molmod/examples/003_internal_coordinates/dopamine.xyz' 2021-07-12T14:07:28,723 adding 'molmod/examples/003_internal_coordinates/propane.xyz' 2021-07-12T14:07:28,725 adding 'molmod/examples/004_patterns/a_propane_types.py' 2021-07-12T14:07:28,726 adding 'molmod/examples/004_patterns/b_dopamine_types.py' 2021-07-12T14:07:28,727 adding 'molmod/examples/004_patterns/dopamine.xyz' 2021-07-12T14:07:28,729 adding 'molmod/examples/004_patterns/mfi_fragment.xyz' 2021-07-12T14:07:28,730 adding 'molmod/examples/004_patterns/propane.xyz' 2021-07-12T14:07:28,732 adding 'molmod/io/__init__.py' 2021-07-12T14:07:28,733 adding 'molmod/io/atrj.py' 2021-07-12T14:07:28,735 adding 'molmod/io/chk.py' 2021-07-12T14:07:28,737 adding 'molmod/io/cml.py' 2021-07-12T14:07:28,738 adding 'molmod/io/common.py' 2021-07-12T14:07:28,740 adding 'molmod/io/cp2k.py' 2021-07-12T14:07:28,742 adding 'molmod/io/cpmd.py' 2021-07-12T14:07:28,743 adding 'molmod/io/crystal.py' 2021-07-12T14:07:28,745 adding 'molmod/io/cube.py' 2021-07-12T14:07:28,747 adding 'molmod/io/dlpoly.py' 2021-07-12T14:07:28,749 adding 'molmod/io/fchk.py' 2021-07-12T14:07:28,751 adding 'molmod/io/gamess.py' 2021-07-12T14:07:28,752 adding 'molmod/io/gromacs.py' 2021-07-12T14:07:28,754 adding 'molmod/io/lammps.py' 2021-07-12T14:07:28,756 adding 'molmod/io/number_state.py' 2021-07-12T14:07:28,757 adding 'molmod/io/pdb.py' 2021-07-12T14:07:28,759 adding 'molmod/io/psf.py' 2021-07-12T14:07:28,761 adding 'molmod/io/sdf.py' 2021-07-12T14:07:28,763 adding 'molmod/io/xyz.py' 2021-07-12T14:07:28,765 adding 'molmod/io/test/__init__.py' 2021-07-12T14:07:28,766 adding 'molmod/io/test/test_atrj.py' 2021-07-12T14:07:28,768 adding 'molmod/io/test/test_chk.py' 2021-07-12T14:07:28,769 adding 'molmod/io/test/test_cml.py' 2021-07-12T14:07:28,770 adding 'molmod/io/test/test_cp2k.py' 2021-07-12T14:07:28,772 adding 'molmod/io/test/test_cpmd.py' 2021-07-12T14:07:28,773 adding 'molmod/io/test/test_crystal.py' 2021-07-12T14:07:28,774 adding 'molmod/io/test/test_cube.py' 2021-07-12T14:07:28,776 adding 'molmod/io/test/test_dlpoly.py' 2021-07-12T14:07:28,777 adding 'molmod/io/test/test_fchk.py' 2021-07-12T14:07:28,779 adding 'molmod/io/test/test_gamess.py' 2021-07-12T14:07:28,780 adding 'molmod/io/test/test_gromacs.py' 2021-07-12T14:07:28,781 adding 'molmod/io/test/test_lammps.py' 2021-07-12T14:07:28,783 adding 'molmod/io/test/test_number_state.py' 2021-07-12T14:07:28,784 adding 'molmod/io/test/test_pdb.py' 2021-07-12T14:07:28,785 adding 'molmod/io/test/test_psf.py' 2021-07-12T14:07:28,787 adding 'molmod/io/test/test_sdf.py' 2021-07-12T14:07:28,788 adding 'molmod/io/test/test_xyz.py' 2021-07-12T14:07:28,791 adding 'molmod/test/__init__.py' 2021-07-12T14:07:28,792 adding 'molmod/test/common.py' 2021-07-12T14:07:28,794 adding 'molmod/test/test_binning.py' 2021-07-12T14:07:28,795 adding 'molmod/test/test_clusters.py' 2021-07-12T14:07:28,796 adding 'molmod/test/test_data.py' 2021-07-12T14:07:28,798 adding 'molmod/test/test_examples.py' 2021-07-12T14:07:28,801 adding 'molmod/test/test_graphs.py' 2021-07-12T14:07:28,803 adding 'molmod/test/test_ic.py' 2021-07-12T14:07:28,804 adding 'molmod/test/test_log.py' 2021-07-12T14:07:28,806 adding 'molmod/test/test_minimizer.py' 2021-07-12T14:07:28,809 adding 'molmod/test/test_molecular_graphs.py' 2021-07-12T14:07:28,811 adding 'molmod/test/test_molecules.py' 2021-07-12T14:07:28,813 adding 'molmod/test/test_pairff.py' 2021-07-12T14:07:28,814 adding 'molmod/test/test_quaternions.py' 2021-07-12T14:07:28,816 adding 'molmod/test/test_randomize.py' 2021-07-12T14:07:28,817 adding 'molmod/test/test_similarity.py' 2021-07-12T14:07:28,818 adding 'molmod/test/test_symmetry.py' 2021-07-12T14:07:28,820 adding 'molmod/test/test_toyff.py' 2021-07-12T14:07:28,822 adding 'molmod/test/test_transformations.py' 2021-07-12T14:07:28,825 adding 'molmod/test/test_unit_cells.py' 2021-07-12T14:07:28,826 adding 'molmod/test/test_units.py' 2021-07-12T14:07:28,828 adding 'molmod/test/test_utils.py' 2021-07-12T14:07:28,829 adding 'molmod/test/test_vectors.py' 2021-07-12T14:07:28,830 adding 'molmod/test/test_zmatrix.py' 2021-07-12T14:07:28,838 adding 'molmod-1.4.3.dist-info/LICENSE.txt' 2021-07-12T14:07:28,839 adding 'molmod-1.4.3.dist-info/METADATA' 2021-07-12T14:07:28,840 adding 'molmod-1.4.3.dist-info/WHEEL' 2021-07-12T14:07:28,841 adding 'molmod-1.4.3.dist-info/top_level.txt' 2021-07-12T14:07:28,844 adding 'molmod-1.4.3.dist-info/RECORD' 2021-07-12T14:07:28,875 removing build/bdist.linux-armv7l/wheel 2021-07-12T14:07:29,302 Building wheel for molmod (setup.py): finished with status 'done' 2021-07-12T14:07:29,329 Created wheel for molmod: filename=molmod-1.4.3-cp39-cp39-linux_armv7l.whl size=1955140 sha256=fde1a04e1e77a948033a9f04498060b8627402de97618110d0c40836d7e15bd8 2021-07-12T14:07:29,329 Stored in directory: /tmp/pip-ephem-wheel-cache-098uvm_k/wheels/40/67/53/a484351956ffd7e3cff30e02a585f0f94f667024cb6edf2f5b 2021-07-12T14:07:29,347 Successfully built molmod 2021-07-12T14:07:29,412 Removed build tracker: '/tmp/pip-req-tracker-4bl2zoeb'