2024-11-20T15:37:02,576 Created temporary directory: /tmp/pip-build-tracker-a7osu3lh 2024-11-20T15:37:02,577 Initialized build tracking at /tmp/pip-build-tracker-a7osu3lh 2024-11-20T15:37:02,578 Created build tracker: /tmp/pip-build-tracker-a7osu3lh 2024-11-20T15:37:02,578 Entered build tracker: /tmp/pip-build-tracker-a7osu3lh 2024-11-20T15:37:02,579 Created temporary directory: /tmp/pip-wheel-godv_mtp 2024-11-20T15:37:02,583 Created temporary directory: /tmp/pip-ephem-wheel-cache-o4zgqene 2024-11-20T15:37:02,626 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-11-20T15:37:02,629 2 location(s) to search for versions of plams: 2024-11-20T15:37:02,629 * https://pypi.org/simple/plams/ 2024-11-20T15:37:02,629 * https://www.piwheels.org/simple/plams/ 2024-11-20T15:37:02,629 Fetching project page and analyzing links: https://pypi.org/simple/plams/ 2024-11-20T15:37:02,630 Getting page https://pypi.org/simple/plams/ 2024-11-20T15:37:02,632 Found index url https://pypi.org/simple/ 2024-11-20T15:37:02,855 Fetched page https://pypi.org/simple/plams/ as application/vnd.pypi.simple.v1+json 2024-11-20T15:37:02,859 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/fa/31/e184d79c611a23669b62ab28ab8adb3992059abe7a791874184de2f3ce34/PLAMS-1.1.1-py2.py3-none-any.whl (from https://pypi.org/simple/plams/) 2024-11-20T15:37:02,860 Found link https://files.pythonhosted.org/packages/24/86/79429821e27134d70c2de0db7a031b2fbb4c515271f5eab88c74af381f49/PLAMS-1.1.1.tar.gz (from https://pypi.org/simple/plams/), version: 1.1.1 2024-11-20T15:37:02,860 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/d2/79/f7573d13b9514d01011cae5e52487bd3b6a1d205a3f0b4a944aca426330d/plams-1.4-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:02,861 Found link https://files.pythonhosted.org/packages/8d/21/47561efd3e32584d14879fb869f60754952f85ff1c3f4cdde7fb234b6544/plams-1.4.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 1.4 2024-11-20T15:37:02,862 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/ae/d1/cd871ebb30996a5d432bdaddb07d2eb3b6efea3a0db3b2c52b6fa8b139b3/plams-1.5-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:02,863 Found link https://files.pythonhosted.org/packages/5f/0c/d64550a1c45d9c75d717e96e82a74c3413b0fc2c60a08bdbb3d668847fbc/plams-1.5.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 1.5 2024-11-20T15:37:02,864 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/ff/d0/438c3709665360ad40a3e501f1ca8ca98b18468fff7917f52d8ac5ae7e1f/plams-1.5.1-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:02,865 Found link https://files.pythonhosted.org/packages/d2/28/dd41cd4707649b05edea728c602e5250dbb0a48fc114269ee662dce4233a/plams-1.5.1.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 1.5.1 2024-11-20T15:37:02,866 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/7a/4a/3de2c19e0d3ccf08295205d293c2eee01a6a71f20a30da9d53b8d36e0021/plams-2024.103-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:02,866 Found link https://files.pythonhosted.org/packages/a1/3a/b51d6573ed7452fedb946cdcea60fd09db9053abef5db3d5916557638d81/plams-2024.103.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.103 2024-11-20T15:37:02,867 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/3c/dc/d9560188cf381d88dc3ffe93675965b19103df5eae978b53af0b96680582/plams-2024.104-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:02,868 Found link https://files.pythonhosted.org/packages/d2/25/30844466b9f8aa7faebbd2d3cdbcdf9bada7377b0a6a743fb846ff308d84/plams-2024.104.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.104 2024-11-20T15:37:02,869 Skipping link: No binaries permitted for plams: https://files.pythonhosted.org/packages/7b/14/801809f30e5275af5e552003f6fce59931bb92c4a12cd54efca74a807399/plams-2024.105-py3-none-any.whl (from https://pypi.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:02,870 Found link https://files.pythonhosted.org/packages/cd/ba/b66cd8c2db6ae989f1b7a6aa857dfa3c55e1e41824cfad7c3e4177ac558c/plams-2024.105.tar.gz (from https://pypi.org/simple/plams/) (requires-python:>=3.6), version: 2024.105 2024-11-20T15:37:02,871 Fetching project page and analyzing links: https://www.piwheels.org/simple/plams/ 2024-11-20T15:37:02,871 Getting page https://www.piwheels.org/simple/plams/ 2024-11-20T15:37:02,872 Found index url https://www.piwheels.org/simple/ 2024-11-20T15:37:03,038 Fetched page https://www.piwheels.org/simple/plams/ as text/html 2024-11-20T15:37:03,041 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-2024.104-py3-none-any.whl#sha256=82edea31d74f7b7c8f9c10f499470bf0989331b27e70dbe03a630b7d4ae55494 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:03,041 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-2024.103-py3-none-any.whl#sha256=c0deabba55dbd9050ef76f2ffea02c45937a127675471500076dd889f4f7ce63 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:03,042 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-1.5.1-py3-none-any.whl#sha256=0407e08e9658020f75103415dcd9c5d000a965b4302bbb57b00f189d8896db2d (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:03,042 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-1.5-py3-none-any.whl#sha256=754632be4c436b80914dabb1b2304bb8ff267cb6a3a3d34300598a1a86fc71c1 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:03,043 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/plams-1.4-py3-none-any.whl#sha256=99e8c03ce64c241bd4d1c3dcac7400148d62ad5bed921a2ce412944d578428d2 (from https://www.piwheels.org/simple/plams/) (requires-python:>=3.6) 2024-11-20T15:37:03,043 Skipping link: No binaries permitted for plams: https://www.piwheels.org/simple/plams/PLAMS-1.1.1-py2.py3-none-any.whl#sha256=2aa6ca4e0638b7809047cdd03b0b0926c29be2cb8ffde8bc341d316551a0012c (from https://www.piwheels.org/simple/plams/) 2024-11-20T15:37:03,044 Skipping link: not a file: https://www.piwheels.org/simple/plams/ 2024-11-20T15:37:03,045 Skipping link: not a file: https://pypi.org/simple/plams/ 2024-11-20T15:37:03,063 Given no hashes to check 1 links for project 'plams': discarding no candidates 2024-11-20T15:37:03,065 Collecting plams==2024.105 2024-11-20T15:37:03,067 Created temporary directory: /tmp/pip-unpack-rsxb8tg4 2024-11-20T15:37:03,289 Downloading plams-2024.105.tar.gz (401 kB) 2024-11-20T15:37:03,758 Added plams==2024.105 from https://files.pythonhosted.org/packages/cd/ba/b66cd8c2db6ae989f1b7a6aa857dfa3c55e1e41824cfad7c3e4177ac558c/plams-2024.105.tar.gz to build tracker '/tmp/pip-build-tracker-a7osu3lh' 2024-11-20T15:37:03,761 Running setup.py (path:/tmp/pip-wheel-godv_mtp/plams_d65e46f87e1f475f905a4329bb954bb0/setup.py) egg_info for package plams 2024-11-20T15:37:03,762 Created temporary directory: /tmp/pip-pip-egg-info-u5nq3vds 2024-11-20T15:37:03,762 Preparing metadata (setup.py): started 2024-11-20T15:37:03,764 Running command python setup.py egg_info 2024-11-20T15:37:04,897 running egg_info 2024-11-20T15:37:04,925 creating /tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info 2024-11-20T15:37:04,927 writing /tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/PKG-INFO 2024-11-20T15:37:04,931 writing dependency_links to /tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/dependency_links.txt 2024-11-20T15:37:04,934 writing requirements to /tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/requires.txt 2024-11-20T15:37:04,936 writing top-level names to /tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/top_level.txt 2024-11-20T15:37:04,938 writing manifest file '/tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/SOURCES.txt' 2024-11-20T15:37:05,075 reading manifest file '/tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/SOURCES.txt' 2024-11-20T15:37:05,077 adding license file 'LICENSE.md' 2024-11-20T15:37:05,085 writing manifest file '/tmp/pip-pip-egg-info-u5nq3vds/plams.egg-info/SOURCES.txt' 2024-11-20T15:37:05,195 Preparing metadata (setup.py): finished with status 'done' 2024-11-20T15:37:05,198 Source in /tmp/pip-wheel-godv_mtp/plams_d65e46f87e1f475f905a4329bb954bb0 has version 2024.105, which satisfies requirement plams==2024.105 from https://files.pythonhosted.org/packages/cd/ba/b66cd8c2db6ae989f1b7a6aa857dfa3c55e1e41824cfad7c3e4177ac558c/plams-2024.105.tar.gz 2024-11-20T15:37:05,199 Removed plams==2024.105 from https://files.pythonhosted.org/packages/cd/ba/b66cd8c2db6ae989f1b7a6aa857dfa3c55e1e41824cfad7c3e4177ac558c/plams-2024.105.tar.gz from build tracker '/tmp/pip-build-tracker-a7osu3lh' 2024-11-20T15:37:05,206 Created temporary directory: /tmp/pip-unpack-w49xikqx 2024-11-20T15:37:05,207 Created temporary directory: /tmp/pip-unpack-sotrwkqd 2024-11-20T15:37:05,208 Building wheels for collected packages: plams 2024-11-20T15:37:05,212 Created temporary directory: /tmp/pip-wheel-mt7xmgsu 2024-11-20T15:37:05,213 Building wheel for plams (setup.py): started 2024-11-20T15:37:05,214 Destination directory: /tmp/pip-wheel-mt7xmgsu 2024-11-20T15:37:05,214 Running command python setup.py bdist_wheel 2024-11-20T15:37:06,251 running bdist_wheel 2024-11-20T15:37:06,382 running build 2024-11-20T15:37:06,383 running build_py 2024-11-20T15:37:06,414 creating build/lib/scm/plams 2024-11-20T15:37:06,417 copying ./version.py -> build/lib/scm/plams 2024-11-20T15:37:06,419 copying ./__init__.py -> build/lib/scm/plams 2024-11-20T15:37:06,422 creating build/lib/scm/plams/trajectories 2024-11-20T15:37:06,424 copying ./trajectories/rkffile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,427 copying ./trajectories/dcdfile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,430 copying ./trajectories/sdffile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,433 copying ./trajectories/trajectory.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,436 copying ./trajectories/analysis.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,439 copying ./trajectories/xyzfile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,442 copying ./trajectories/xyzhistoryfile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,445 copying ./trajectories/sdfhistoryfile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,662 copying ./trajectories/__init__.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,664 copying ./trajectories/trajectoryfile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,667 copying ./trajectories/rkfhistoryfile.py -> build/lib/scm/plams/trajectories 2024-11-20T15:37:06,671 creating build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,672 copying ./unit_tests/conftest.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,674 copying ./unit_tests/test_molecule.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,677 copying ./unit_tests/test_smiles.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,680 copying ./unit_tests/test_amsjob.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,682 copying ./unit_tests/__init__.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,684 copying ./unit_tests/test_version.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,686 copying ./unit_tests/test_helpers.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,689 copying ./unit_tests/test_inputparser.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,692 copying ./unit_tests/test_identify_RS.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,694 copying ./unit_tests/test_identify_CO_flat4.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,696 copying ./unit_tests/test_identify_EZ.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,698 copying ./unit_tests/test_identify_CO_6.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,701 copying ./unit_tests/test_interfaces.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,703 copying ./unit_tests/test_identify_basic.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,705 copying ./unit_tests/test_ASECalculator.py -> build/lib/scm/plams/unit_tests 2024-11-20T15:37:06,709 creating build/lib/scm/plams/recipes 2024-11-20T15:37:06,710 copying ./recipes/counterpoise.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,713 copying ./recipes/cshadf.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,716 copying ./recipes/fcf_dos.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,718 copying ./recipes/redox.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,721 copying ./recipes/redox_defaults.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,723 copying ./recipes/numgrad.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,726 copying ./recipes/adfcosmorscompound.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,729 copying ./recipes/__init__.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,731 copying ./recipes/numhess.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,733 copying ./recipes/adfcosmorsconformers.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,736 copying ./recipes/redox_potential.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,739 copying ./recipes/adffragment.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,741 copying ./recipes/ams_crs.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,744 copying ./recipes/global_minimum.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,747 copying ./recipes/adfnbo.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,749 copying ./recipes/reorganization_energy.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,752 copying ./recipes/ox_potential.py -> build/lib/scm/plams/recipes 2024-11-20T15:37:06,755 creating build/lib/scm/plams/mol 2024-11-20T15:37:06,757 copying ./mol/identify.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,759 copying ./mol/context.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,761 copying ./mol/__init__.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,763 copying ./mol/bond.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,765 copying ./mol/molecule.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,770 copying ./mol/pdbtools.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,772 copying ./mol/atom.py -> build/lib/scm/plams/mol 2024-11-20T15:37:06,775 creating build/lib/scm/plams/core 2024-11-20T15:37:06,777 copying ./core/basejob.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,780 copying ./core/private.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,782 copying ./core/jobrunner.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,785 copying ./core/settings.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,788 copying ./core/__init__.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,790 copying ./core/errors.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,792 copying ./core/jobmanager.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,794 copying ./core/results.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,797 copying ./core/functions.py -> build/lib/scm/plams/core 2024-11-20T15:37:06,800 creating build/lib/scm/plams/tools 2024-11-20T15:37:06,801 copying ./tools/units.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,804 copying ./tools/geometry.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,807 copying ./tools/converters.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,809 copying ./tools/__init__.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,811 copying ./tools/periodic_table.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,814 copying ./tools/postprocess_results.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,816 copying ./tools/kftools.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,819 copying ./tools/reaction_energies.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,821 copying ./tools/plot.py -> build/lib/scm/plams/tools 2024-11-20T15:37:06,824 creating build/lib/scm/plams/interfaces 2024-11-20T15:37:06,826 copying ./interfaces/__init__.py -> build/lib/scm/plams/interfaces 2024-11-20T15:37:06,828 creating build/lib/scm/plams/recipes/ts 2024-11-20T15:37:06,830 copying ./recipes/ts/__init__.py -> build/lib/scm/plams/recipes/ts 2024-11-20T15:37:06,832 copying ./recipes/ts/reaction_boost_workflow.py -> build/lib/scm/plams/recipes/ts 2024-11-20T15:37:06,836 creating build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,837 copying ./recipes/md/equilibratedensity.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,840 copying ./recipes/md/amsmdjob.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,843 copying ./recipes/md/movingrestraints.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,846 copying ./recipes/md/trajectoryanalysis.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,849 copying ./recipes/md/__init__.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,851 copying ./recipes/md/greenkuboviscosity.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,854 copying ./recipes/md/nvespawner.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,856 copying ./recipes/md/scandensity.py -> build/lib/scm/plams/recipes/md 2024-11-20T15:37:06,859 creating build/lib/scm/plams/recipes/pestools 2024-11-20T15:37:06,860 copying ./recipes/pestools/optimizer.py -> build/lib/scm/plams/recipes/pestools 2024-11-20T15:37:06,863 copying ./recipes/pestools/__init__.py -> build/lib/scm/plams/recipes/pestools 2024-11-20T15:37:06,866 creating build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,868 copying ./interfaces/adfsuite/crs.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,871 copying ./interfaces/adfsuite/dftb.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,874 copying ./interfaces/adfsuite/adf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,877 copying ./interfaces/adfsuite/inputparser.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,879 copying ./interfaces/adfsuite/unifac.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,883 copying ./interfaces/adfsuite/amspipeerror.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,885 copying ./interfaces/adfsuite/amsworker.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,890 copying ./interfaces/adfsuite/quickjobs.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,893 copying ./interfaces/adfsuite/reaxff.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,898 copying ./interfaces/adfsuite/band.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,902 copying ./interfaces/adfsuite/scmjob.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,905 copying ./interfaces/adfsuite/__init__.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,907 copying ./interfaces/adfsuite/ams.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,913 copying ./interfaces/adfsuite/densf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,915 copying ./interfaces/adfsuite/amsanalysis.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,918 copying ./interfaces/adfsuite/ase_calculator.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,921 copying ./interfaces/adfsuite/mopac.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,923 copying ./interfaces/adfsuite/fcf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,925 copying ./interfaces/adfsuite/forcefieldparams.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,928 copying ./interfaces/adfsuite/uff.py -> build/lib/scm/plams/interfaces/adfsuite 2024-11-20T15:37:06,931 creating build/lib/scm/plams/interfaces/molecule 2024-11-20T15:37:06,933 copying ./interfaces/molecule/packmol.py -> build/lib/scm/plams/interfaces/molecule 2024-11-20T15:37:06,936 copying ./interfaces/molecule/__init__.py -> build/lib/scm/plams/interfaces/molecule 2024-11-20T15:37:06,938 copying ./interfaces/molecule/ase.py -> build/lib/scm/plams/interfaces/molecule 2024-11-20T15:37:06,941 copying ./interfaces/molecule/rdkit.py -> build/lib/scm/plams/interfaces/molecule 2024-11-20T15:37:06,945 creating build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,946 copying ./interfaces/thirdparty/cp2k.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,949 copying ./interfaces/thirdparty/raspa.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,952 copying ./interfaces/thirdparty/crystal.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,955 copying ./interfaces/thirdparty/dftbplus.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,957 copying ./interfaces/thirdparty/vasp.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,960 copying ./interfaces/thirdparty/__init__.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,962 copying ./interfaces/thirdparty/gamess.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,964 copying ./interfaces/thirdparty/orca.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,967 copying ./interfaces/thirdparty/dirac.py -> build/lib/scm/plams/interfaces/thirdparty 2024-11-20T15:37:06,982 copying ./.flake8 -> build/lib/scm/plams 2024-11-20T15:37:06,985 copying ./plams_defaults -> build/lib/scm/plams 2024-11-20T15:37:06,987 creating build/lib/scm/plams/examples 2024-11-20T15:37:06,989 copying ./examples/molecules_ReactionEnergyBenchmark.zip -> build/lib/scm/plams/examples 2024-11-20T15:37:06,992 copying ./examples/ir_spectrum_from_md.py -> build/lib/scm/plams/examples 2024-11-20T15:37:06,995 copying ./examples/ReductionOxidationPotentials.py -> build/lib/scm/plams/examples 2024-11-20T15:37:06,997 copying ./examples/get_ionic_conductivity.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,001 copying ./examples/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,003 copying ./examples/CustomASECalculator.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,006 copying ./examples/PackMol.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,009 copying ./examples/SellaTransitionStateSearch.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,012 copying ./examples/MoleculesTable.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,015 copying ./examples/ExcitationsWorkflow.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,019 copying ./examples/get_irspectrum.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,024 copying ./examples/QE_AMS_AFM_HubbardU.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,029 copying ./examples/He2DissociationCurve.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,033 copying ./examples/BasicMDPostanalysis.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,036 copying ./examples/ConformersGeneration.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,038 copying ./examples/WaterOptimization.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,041 copying ./examples/AMSPlumedMD.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,044 copying ./examples/get_hbonds.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,047 copying ./examples/get_charged_ions.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,049 copying ./examples/ASECalculator.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,052 copying ./examples/TuningRangeSeparation.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,055 copying ./examples/ams_crs.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,058 copying ./examples/UseLowestEnergy.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,062 copying ./examples/MoleculesFromRKFTrajectory.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,064 copying ./examples/plot_correlation.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,067 copying ./examples/ConvertToAMSRKFTrajectory.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,069 copying ./examples/PropertyPrediction.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,072 copying ./examples/xrd.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,074 copying ./examples/MoleculeSubstitution.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,077 copying ./examples/ChargeTransferIntegralsADF.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,080 copying ./examples/AMSMDJob.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,082 copying ./examples/BasisSetBenchmark.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,085 copying ./examples/M3GNet.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,087 copying ./examples/rkf_to_wrapped_dcd.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,090 copying ./examples/ReorganizationEnergy.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,092 copying ./examples/get_water_indices.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,094 copying ./examples/reuse_forcefieldparams.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,097 copying ./examples/ManyJobsInParallel.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,099 copying ./examples/BAND_NiO_HubbardU.py -> build/lib/scm/plams/examples 2024-11-20T15:37:07,108 creating build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,110 copying ./unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,113 copying ./unit_tests/xyz/CO_flat4_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,115 copying ./unit_tests/xyz/CO_6_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,117 copying ./unit_tests/xyz/EZ2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,120 copying ./unit_tests/xyz/CO_flat4_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,122 copying ./unit_tests/xyz/chlorophyl1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,125 copying ./unit_tests/xyz/chlorophyl2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,127 copying ./unit_tests/xyz/EZ1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,129 copying ./unit_tests/xyz/RS2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,132 copying ./unit_tests/xyz/CO_flat4_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,134 copying ./unit_tests/xyz/RS1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,136 copying ./unit_tests/xyz/CO_6_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,138 copying ./unit_tests/xyz/benzene.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,141 copying ./unit_tests/xyz/CO_flat4_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,143 copying ./unit_tests/xyz/CO_6_5.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,145 copying ./unit_tests/xyz/CO_6_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,147 copying ./unit_tests/xyz/CO_6_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,158 running build_scripts 2024-11-20T15:37:07,159 creating build/scripts-3.11 2024-11-20T15:37:07,160 copying and adjusting scripts/plams -> build/scripts-3.11 2024-11-20T15:37:07,162 changing mode of build/scripts-3.11/plams from 644 to 755 2024-11-20T15:37:07,189 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2024-11-20T15:37:07,190 !! 2024-11-20T15:37:07,191 ******************************************************************************** 2024-11-20T15:37:07,191 Please avoid running ``setup.py`` directly. 2024-11-20T15:37:07,192 Instead, use pypa/build, pypa/installer or other 2024-11-20T15:37:07,193 standards-based tools. 2024-11-20T15:37:07,194 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2024-11-20T15:37:07,195 ******************************************************************************** 2024-11-20T15:37:07,195 !! 2024-11-20T15:37:07,196 self.initialize_options() 2024-11-20T15:37:07,220 installing to build/bdist.linux-armv7l/wheel 2024-11-20T15:37:07,221 running install 2024-11-20T15:37:07,246 running install_lib 2024-11-20T15:37:07,273 creating build/bdist.linux-armv7l/wheel 2024-11-20T15:37:07,275 creating build/bdist.linux-armv7l/wheel/scm 2024-11-20T15:37:07,277 creating build/bdist.linux-armv7l/wheel/scm/plams 2024-11-20T15:37:07,279 creating build/bdist.linux-armv7l/wheel/scm/plams/trajectories 2024-11-20T15:37:07,280 copying build/lib/scm/plams/trajectories/rkffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,283 copying build/lib/scm/plams/trajectories/dcdfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,286 copying build/lib/scm/plams/trajectories/sdffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,288 copying build/lib/scm/plams/trajectories/trajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,290 copying build/lib/scm/plams/trajectories/analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,292 copying build/lib/scm/plams/trajectories/xyzfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,295 copying build/lib/scm/plams/trajectories/xyzhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,298 copying build/lib/scm/plams/trajectories/sdfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,300 copying build/lib/scm/plams/trajectories/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,302 copying build/lib/scm/plams/trajectories/trajectoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,304 copying build/lib/scm/plams/trajectories/rkfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-11-20T15:37:07,307 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests 2024-11-20T15:37:07,309 copying build/lib/scm/plams/unit_tests/conftest.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,311 copying build/lib/scm/plams/unit_tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,313 copying build/lib/scm/plams/unit_tests/test_smiles.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,315 copying build/lib/scm/plams/unit_tests/test_amsjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,317 copying build/lib/scm/plams/unit_tests/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,320 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/xyz 2024-11-20T15:37:07,321 copying build/lib/scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,323 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,326 copying build/lib/scm/plams/unit_tests/xyz/CO_6_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,328 copying build/lib/scm/plams/unit_tests/xyz/EZ2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,330 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,332 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,335 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,337 copying build/lib/scm/plams/unit_tests/xyz/EZ1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,339 copying build/lib/scm/plams/unit_tests/xyz/RS2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,341 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,343 copying build/lib/scm/plams/unit_tests/xyz/RS1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,345 copying build/lib/scm/plams/unit_tests/xyz/CO_6_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,347 copying build/lib/scm/plams/unit_tests/xyz/benzene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,349 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,351 copying build/lib/scm/plams/unit_tests/xyz/CO_6_5.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,353 copying build/lib/scm/plams/unit_tests/xyz/CO_6_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,355 copying build/lib/scm/plams/unit_tests/xyz/CO_6_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-11-20T15:37:07,357 copying build/lib/scm/plams/unit_tests/test_version.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,359 copying build/lib/scm/plams/unit_tests/test_helpers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,361 copying build/lib/scm/plams/unit_tests/test_inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,363 copying build/lib/scm/plams/unit_tests/test_identify_RS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,365 copying build/lib/scm/plams/unit_tests/test_identify_CO_flat4.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,367 copying build/lib/scm/plams/unit_tests/test_identify_EZ.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,369 copying build/lib/scm/plams/unit_tests/test_identify_CO_6.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,371 copying build/lib/scm/plams/unit_tests/test_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,373 copying build/lib/scm/plams/unit_tests/test_identify_basic.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,375 copying build/lib/scm/plams/unit_tests/test_ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-11-20T15:37:07,377 copying build/lib/scm/plams/version.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-11-20T15:37:07,379 copying build/lib/scm/plams/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-11-20T15:37:07,382 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes 2024-11-20T15:37:07,384 copying build/lib/scm/plams/recipes/counterpoise.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,386 copying build/lib/scm/plams/recipes/cshadf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,389 copying build/lib/scm/plams/recipes/fcf_dos.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,391 copying build/lib/scm/plams/recipes/redox.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,394 copying build/lib/scm/plams/recipes/redox_defaults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,396 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/ts 2024-11-20T15:37:07,397 copying build/lib/scm/plams/recipes/ts/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2024-11-20T15:37:07,399 copying build/lib/scm/plams/recipes/ts/reaction_boost_workflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2024-11-20T15:37:07,402 copying build/lib/scm/plams/recipes/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,404 copying build/lib/scm/plams/recipes/adfcosmorscompound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,406 copying build/lib/scm/plams/recipes/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,408 copying build/lib/scm/plams/recipes/numhess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,410 copying build/lib/scm/plams/recipes/adfcosmorsconformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,412 copying build/lib/scm/plams/recipes/redox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,416 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/md 2024-11-20T15:37:07,418 copying build/lib/scm/plams/recipes/md/equilibratedensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,421 copying build/lib/scm/plams/recipes/md/amsmdjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,424 copying build/lib/scm/plams/recipes/md/movingrestraints.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,427 copying build/lib/scm/plams/recipes/md/trajectoryanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,430 copying build/lib/scm/plams/recipes/md/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,432 copying build/lib/scm/plams/recipes/md/greenkuboviscosity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,435 copying build/lib/scm/plams/recipes/md/nvespawner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,439 copying build/lib/scm/plams/recipes/md/scandensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-11-20T15:37:07,443 copying build/lib/scm/plams/recipes/adffragment.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,445 copying build/lib/scm/plams/recipes/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,448 copying build/lib/scm/plams/recipes/global_minimum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,451 copying build/lib/scm/plams/recipes/adfnbo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,453 copying build/lib/scm/plams/recipes/reorganization_energy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,456 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/pestools 2024-11-20T15:37:07,457 copying build/lib/scm/plams/recipes/pestools/optimizer.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2024-11-20T15:37:07,460 copying build/lib/scm/plams/recipes/pestools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2024-11-20T15:37:07,462 copying build/lib/scm/plams/recipes/ox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-11-20T15:37:07,466 creating build/bdist.linux-armv7l/wheel/scm/plams/mol 2024-11-20T15:37:07,468 copying build/lib/scm/plams/mol/identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,473 copying build/lib/scm/plams/mol/context.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,477 copying build/lib/scm/plams/mol/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,481 copying build/lib/scm/plams/mol/bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,486 copying build/lib/scm/plams/mol/molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,491 copying build/lib/scm/plams/mol/pdbtools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,494 copying build/lib/scm/plams/mol/atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-11-20T15:37:07,498 creating build/bdist.linux-armv7l/wheel/scm/plams/core 2024-11-20T15:37:07,499 copying build/lib/scm/plams/core/basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,503 copying build/lib/scm/plams/core/private.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,506 copying build/lib/scm/plams/core/jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,510 copying build/lib/scm/plams/core/settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,514 copying build/lib/scm/plams/core/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,517 copying build/lib/scm/plams/core/errors.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,521 copying build/lib/scm/plams/core/jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,524 copying build/lib/scm/plams/core/results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,527 copying build/lib/scm/plams/core/functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-11-20T15:37:07,531 creating build/bdist.linux-armv7l/wheel/scm/plams/tools 2024-11-20T15:37:07,532 copying build/lib/scm/plams/tools/units.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,535 copying build/lib/scm/plams/tools/geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,538 copying build/lib/scm/plams/tools/converters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,543 copying build/lib/scm/plams/tools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,548 copying build/lib/scm/plams/tools/periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,552 copying build/lib/scm/plams/tools/postprocess_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,554 copying build/lib/scm/plams/tools/kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,557 copying build/lib/scm/plams/tools/reaction_energies.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,560 copying build/lib/scm/plams/tools/plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-11-20T15:37:07,563 copying build/lib/scm/plams/plams_defaults -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-11-20T15:37:07,567 copying build/lib/scm/plams/.flake8 -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-11-20T15:37:07,570 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces 2024-11-20T15:37:07,573 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,575 copying build/lib/scm/plams/interfaces/adfsuite/crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,578 copying build/lib/scm/plams/interfaces/adfsuite/dftb.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,581 copying build/lib/scm/plams/interfaces/adfsuite/adf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,584 copying build/lib/scm/plams/interfaces/adfsuite/inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,588 copying build/lib/scm/plams/interfaces/adfsuite/unifac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,591 copying build/lib/scm/plams/interfaces/adfsuite/amspipeerror.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,593 copying build/lib/scm/plams/interfaces/adfsuite/amsworker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,598 copying build/lib/scm/plams/interfaces/adfsuite/quickjobs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,601 copying build/lib/scm/plams/interfaces/adfsuite/reaxff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,605 copying build/lib/scm/plams/interfaces/adfsuite/band.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,608 copying build/lib/scm/plams/interfaces/adfsuite/scmjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,611 copying build/lib/scm/plams/interfaces/adfsuite/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,613 copying build/lib/scm/plams/interfaces/adfsuite/ams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,620 copying build/lib/scm/plams/interfaces/adfsuite/densf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,622 copying build/lib/scm/plams/interfaces/adfsuite/amsanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,625 copying build/lib/scm/plams/interfaces/adfsuite/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,628 copying build/lib/scm/plams/interfaces/adfsuite/mopac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,631 copying build/lib/scm/plams/interfaces/adfsuite/fcf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,633 copying build/lib/scm/plams/interfaces/adfsuite/forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,636 copying build/lib/scm/plams/interfaces/adfsuite/uff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-11-20T15:37:07,638 copying build/lib/scm/plams/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces 2024-11-20T15:37:07,641 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/molecule 2024-11-20T15:37:07,643 copying build/lib/scm/plams/interfaces/molecule/packmol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-11-20T15:37:07,646 copying build/lib/scm/plams/interfaces/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-11-20T15:37:07,649 copying build/lib/scm/plams/interfaces/molecule/ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-11-20T15:37:07,651 copying build/lib/scm/plams/interfaces/molecule/rdkit.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-11-20T15:37:07,657 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,658 copying build/lib/scm/plams/interfaces/thirdparty/cp2k.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,662 copying build/lib/scm/plams/interfaces/thirdparty/raspa.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,665 copying build/lib/scm/plams/interfaces/thirdparty/crystal.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,668 copying build/lib/scm/plams/interfaces/thirdparty/dftbplus.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,671 copying build/lib/scm/plams/interfaces/thirdparty/vasp.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,673 copying build/lib/scm/plams/interfaces/thirdparty/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,675 copying build/lib/scm/plams/interfaces/thirdparty/gamess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,677 copying build/lib/scm/plams/interfaces/thirdparty/orca.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,681 copying build/lib/scm/plams/interfaces/thirdparty/dirac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-11-20T15:37:07,686 creating build/bdist.linux-armv7l/wheel/scm/plams/examples 2024-11-20T15:37:07,687 copying build/lib/scm/plams/examples/molecules_ReactionEnergyBenchmark.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,691 copying build/lib/scm/plams/examples/ir_spectrum_from_md.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,693 copying build/lib/scm/plams/examples/ReductionOxidationPotentials.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,696 copying build/lib/scm/plams/examples/get_ionic_conductivity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,698 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,701 copying build/lib/scm/plams/examples/CustomASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,703 copying build/lib/scm/plams/examples/PackMol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,706 copying build/lib/scm/plams/examples/SellaTransitionStateSearch.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,708 copying build/lib/scm/plams/examples/MoleculesTable.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,711 copying build/lib/scm/plams/examples/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,713 copying build/lib/scm/plams/examples/get_irspectrum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,715 copying build/lib/scm/plams/examples/QE_AMS_AFM_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,717 copying build/lib/scm/plams/examples/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,718 copying build/lib/scm/plams/examples/BasicMDPostanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,720 copying build/lib/scm/plams/examples/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,722 copying build/lib/scm/plams/examples/WaterOptimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,724 copying build/lib/scm/plams/examples/AMSPlumedMD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,726 copying build/lib/scm/plams/examples/get_hbonds.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,728 copying build/lib/scm/plams/examples/get_charged_ions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,730 copying build/lib/scm/plams/examples/ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,732 copying build/lib/scm/plams/examples/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,734 copying build/lib/scm/plams/examples/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,736 copying build/lib/scm/plams/examples/UseLowestEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,738 copying build/lib/scm/plams/examples/MoleculesFromRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,740 copying build/lib/scm/plams/examples/plot_correlation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,742 copying build/lib/scm/plams/examples/ConvertToAMSRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,744 copying build/lib/scm/plams/examples/PropertyPrediction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,746 copying build/lib/scm/plams/examples/xrd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,747 copying build/lib/scm/plams/examples/MoleculeSubstitution.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,749 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,751 copying build/lib/scm/plams/examples/AMSMDJob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,753 copying build/lib/scm/plams/examples/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,755 copying build/lib/scm/plams/examples/M3GNet.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,757 copying build/lib/scm/plams/examples/rkf_to_wrapped_dcd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,758 copying build/lib/scm/plams/examples/ReorganizationEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,760 copying build/lib/scm/plams/examples/get_water_indices.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,762 copying build/lib/scm/plams/examples/reuse_forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,764 copying build/lib/scm/plams/examples/ManyJobsInParallel.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,766 copying build/lib/scm/plams/examples/BAND_NiO_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-11-20T15:37:07,768 running install_egg_info 2024-11-20T15:37:07,812 running egg_info 2024-11-20T15:37:07,860 writing plams.egg-info/PKG-INFO 2024-11-20T15:37:07,874 writing dependency_links to plams.egg-info/dependency_links.txt 2024-11-20T15:37:07,883 writing requirements to plams.egg-info/requires.txt 2024-11-20T15:37:07,889 writing top-level names to plams.egg-info/top_level.txt 2024-11-20T15:37:07,991 reading manifest file 'plams.egg-info/SOURCES.txt' 2024-11-20T15:37:08,003 adding license file 'LICENSE.md' 2024-11-20T15:37:08,016 writing manifest file 'plams.egg-info/SOURCES.txt' 2024-11-20T15:37:08,021 Copying plams.egg-info to build/bdist.linux-armv7l/wheel/./plams-2024.105-py3.11.egg-info 2024-11-20T15:37:08,042 running install_scripts 2024-11-20T15:37:08,043 creating build/bdist.linux-armv7l/wheel/plams-2024.105.data/scripts 2024-11-20T15:37:08,045 copying build/scripts-3.11/plams -> build/bdist.linux-armv7l/wheel/plams-2024.105.data/scripts 2024-11-20T15:37:08,047 changing mode of build/bdist.linux-armv7l/wheel/plams-2024.105.data/scripts/plams to 755 2024-11-20T15:37:08,062 creating build/bdist.linux-armv7l/wheel/plams-2024.105.dist-info/WHEEL 2024-11-20T15:37:08,065 creating '/tmp/pip-wheel-mt7xmgsu/plams-2024.105-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-11-20T15:37:08,068 adding 'plams-2024.105.data/scripts/plams' 2024-11-20T15:37:08,073 adding 'scm/plams/.flake8' 2024-11-20T15:37:08,075 adding 'scm/plams/__init__.py' 2024-11-20T15:37:08,077 adding 'scm/plams/plams_defaults' 2024-11-20T15:37:08,078 adding 'scm/plams/version.py' 2024-11-20T15:37:08,080 adding 'scm/plams/core/__init__.py' 2024-11-20T15:37:08,085 adding 'scm/plams/core/basejob.py' 2024-11-20T15:37:08,086 adding 'scm/plams/core/errors.py' 2024-11-20T15:37:08,089 adding 'scm/plams/core/functions.py' 2024-11-20T15:37:08,091 adding 'scm/plams/core/jobmanager.py' 2024-11-20T15:37:08,095 adding 'scm/plams/core/jobrunner.py' 2024-11-20T15:37:08,097 adding 'scm/plams/core/private.py' 2024-11-20T15:37:08,100 adding 'scm/plams/core/results.py' 2024-11-20T15:37:08,103 adding 'scm/plams/core/settings.py' 2024-11-20T15:37:08,105 adding 'scm/plams/examples/AMSMDJob.py' 2024-11-20T15:37:08,107 adding 'scm/plams/examples/AMSPlumedMD.py' 2024-11-20T15:37:08,108 adding 'scm/plams/examples/ASECalculator.py' 2024-11-20T15:37:08,110 adding 'scm/plams/examples/BAND_NiO_HubbardU.py' 2024-11-20T15:37:08,112 adding 'scm/plams/examples/BasicMDPostanalysis.py' 2024-11-20T15:37:08,113 adding 'scm/plams/examples/BasisSetBenchmark.py' 2024-11-20T15:37:08,115 adding 'scm/plams/examples/ChargeTransferIntegralsADF.py' 2024-11-20T15:37:08,116 adding 'scm/plams/examples/ConformersGeneration.py' 2024-11-20T15:37:08,118 adding 'scm/plams/examples/ConvertToAMSRKFTrajectory.py' 2024-11-20T15:37:08,119 adding 'scm/plams/examples/CustomASECalculator.py' 2024-11-20T15:37:08,120 adding 'scm/plams/examples/ExcitationsWorkflow.py' 2024-11-20T15:37:08,122 adding 'scm/plams/examples/He2DissociationCurve.py' 2024-11-20T15:37:08,123 adding 'scm/plams/examples/M3GNet.py' 2024-11-20T15:37:08,124 adding 'scm/plams/examples/ManyJobsInParallel.py' 2024-11-20T15:37:08,126 adding 'scm/plams/examples/MoleculeSubstitution.py' 2024-11-20T15:37:08,127 adding 'scm/plams/examples/MoleculesFromRKFTrajectory.py' 2024-11-20T15:37:08,129 adding 'scm/plams/examples/MoleculesTable.py' 2024-11-20T15:37:08,131 adding 'scm/plams/examples/PackMol.py' 2024-11-20T15:37:08,132 adding 'scm/plams/examples/PropertyPrediction.py' 2024-11-20T15:37:08,134 adding 'scm/plams/examples/QE_AMS_AFM_HubbardU.py' 2024-11-20T15:37:08,135 adding 'scm/plams/examples/ReactionEnergyBenchmark.py' 2024-11-20T15:37:08,137 adding 'scm/plams/examples/ReductionOxidationPotentials.py' 2024-11-20T15:37:08,139 adding 'scm/plams/examples/ReorganizationEnergy.py' 2024-11-20T15:37:08,140 adding 'scm/plams/examples/SellaTransitionStateSearch.py' 2024-11-20T15:37:08,142 adding 'scm/plams/examples/TuningRangeSeparation.py' 2024-11-20T15:37:08,143 adding 'scm/plams/examples/UseLowestEnergy.py' 2024-11-20T15:37:08,145 adding 'scm/plams/examples/WaterOptimization.py' 2024-11-20T15:37:08,146 adding 'scm/plams/examples/ams_crs.py' 2024-11-20T15:37:08,148 adding 'scm/plams/examples/get_charged_ions.py' 2024-11-20T15:37:08,150 adding 'scm/plams/examples/get_hbonds.py' 2024-11-20T15:37:08,151 adding 'scm/plams/examples/get_ionic_conductivity.py' 2024-11-20T15:37:08,153 adding 'scm/plams/examples/get_irspectrum.py' 2024-11-20T15:37:08,154 adding 'scm/plams/examples/get_water_indices.py' 2024-11-20T15:37:08,156 adding 'scm/plams/examples/ir_spectrum_from_md.py' 2024-11-20T15:37:08,158 adding 'scm/plams/examples/molecules_ReactionEnergyBenchmark.zip' 2024-11-20T15:37:08,160 adding 'scm/plams/examples/plot_correlation.py' 2024-11-20T15:37:08,161 adding 'scm/plams/examples/reuse_forcefieldparams.py' 2024-11-20T15:37:08,163 adding 'scm/plams/examples/rkf_to_wrapped_dcd.py' 2024-11-20T15:37:08,164 adding 'scm/plams/examples/xrd.py' 2024-11-20T15:37:08,166 adding 'scm/plams/interfaces/__init__.py' 2024-11-20T15:37:08,167 adding 'scm/plams/interfaces/adfsuite/__init__.py' 2024-11-20T15:37:08,170 adding 'scm/plams/interfaces/adfsuite/adf.py' 2024-11-20T15:37:08,186 adding 'scm/plams/interfaces/adfsuite/ams.py' 2024-11-20T15:37:08,189 adding 'scm/plams/interfaces/adfsuite/amsanalysis.py' 2024-11-20T15:37:08,190 adding 'scm/plams/interfaces/adfsuite/amspipeerror.py' 2024-11-20T15:37:08,198 adding 'scm/plams/interfaces/adfsuite/amsworker.py' 2024-11-20T15:37:08,201 adding 'scm/plams/interfaces/adfsuite/ase_calculator.py' 2024-11-20T15:37:08,203 adding 'scm/plams/interfaces/adfsuite/band.py' 2024-11-20T15:37:08,205 adding 'scm/plams/interfaces/adfsuite/crs.py' 2024-11-20T15:37:08,207 adding 'scm/plams/interfaces/adfsuite/densf.py' 2024-11-20T15:37:08,208 adding 'scm/plams/interfaces/adfsuite/dftb.py' 2024-11-20T15:37:08,210 adding 'scm/plams/interfaces/adfsuite/fcf.py' 2024-11-20T15:37:08,212 adding 'scm/plams/interfaces/adfsuite/forcefieldparams.py' 2024-11-20T15:37:08,214 adding 'scm/plams/interfaces/adfsuite/inputparser.py' 2024-11-20T15:37:08,215 adding 'scm/plams/interfaces/adfsuite/mopac.py' 2024-11-20T15:37:08,217 adding 'scm/plams/interfaces/adfsuite/quickjobs.py' 2024-11-20T15:37:08,219 adding 'scm/plams/interfaces/adfsuite/reaxff.py' 2024-11-20T15:37:08,222 adding 'scm/plams/interfaces/adfsuite/scmjob.py' 2024-11-20T15:37:08,223 adding 'scm/plams/interfaces/adfsuite/uff.py' 2024-11-20T15:37:08,225 adding 'scm/plams/interfaces/adfsuite/unifac.py' 2024-11-20T15:37:08,227 adding 'scm/plams/interfaces/molecule/__init__.py' 2024-11-20T15:37:08,228 adding 'scm/plams/interfaces/molecule/ase.py' 2024-11-20T15:37:08,232 adding 'scm/plams/interfaces/molecule/packmol.py' 2024-11-20T15:37:08,239 adding 'scm/plams/interfaces/molecule/rdkit.py' 2024-11-20T15:37:08,240 adding 'scm/plams/interfaces/thirdparty/__init__.py' 2024-11-20T15:37:08,243 adding 'scm/plams/interfaces/thirdparty/cp2k.py' 2024-11-20T15:37:08,246 adding 'scm/plams/interfaces/thirdparty/crystal.py' 2024-11-20T15:37:08,247 adding 'scm/plams/interfaces/thirdparty/dftbplus.py' 2024-11-20T15:37:08,249 adding 'scm/plams/interfaces/thirdparty/dirac.py' 2024-11-20T15:37:08,250 adding 'scm/plams/interfaces/thirdparty/gamess.py' 2024-11-20T15:37:08,252 adding 'scm/plams/interfaces/thirdparty/orca.py' 2024-11-20T15:37:08,255 adding 'scm/plams/interfaces/thirdparty/raspa.py' 2024-11-20T15:37:08,256 adding 'scm/plams/interfaces/thirdparty/vasp.py' 2024-11-20T15:37:08,258 adding 'scm/plams/mol/__init__.py' 2024-11-20T15:37:08,260 adding 'scm/plams/mol/atom.py' 2024-11-20T15:37:08,262 adding 'scm/plams/mol/bond.py' 2024-11-20T15:37:08,263 adding 'scm/plams/mol/context.py' 2024-11-20T15:37:08,266 adding 'scm/plams/mol/identify.py' 2024-11-20T15:37:08,285 adding 'scm/plams/mol/molecule.py' 2024-11-20T15:37:08,287 adding 'scm/plams/mol/pdbtools.py' 2024-11-20T15:37:08,289 adding 'scm/plams/recipes/__init__.py' 2024-11-20T15:37:08,292 adding 'scm/plams/recipes/adfcosmorscompound.py' 2024-11-20T15:37:08,294 adding 'scm/plams/recipes/adfcosmorsconformers.py' 2024-11-20T15:37:08,295 adding 'scm/plams/recipes/adffragment.py' 2024-11-20T15:37:08,297 adding 'scm/plams/recipes/adfnbo.py' 2024-11-20T15:37:08,299 adding 'scm/plams/recipes/ams_crs.py' 2024-11-20T15:37:08,301 adding 'scm/plams/recipes/counterpoise.py' 2024-11-20T15:37:08,302 adding 'scm/plams/recipes/cshadf.py' 2024-11-20T15:37:08,304 adding 'scm/plams/recipes/fcf_dos.py' 2024-11-20T15:37:08,306 adding 'scm/plams/recipes/global_minimum.py' 2024-11-20T15:37:08,307 adding 'scm/plams/recipes/numgrad.py' 2024-11-20T15:37:08,309 adding 'scm/plams/recipes/numhess.py' 2024-11-20T15:37:08,312 adding 'scm/plams/recipes/ox_potential.py' 2024-11-20T15:37:08,314 adding 'scm/plams/recipes/redox.py' 2024-11-20T15:37:08,316 adding 'scm/plams/recipes/redox_defaults.py' 2024-11-20T15:37:08,318 adding 'scm/plams/recipes/redox_potential.py' 2024-11-20T15:37:08,320 adding 'scm/plams/recipes/reorganization_energy.py' 2024-11-20T15:37:08,322 adding 'scm/plams/recipes/md/__init__.py' 2024-11-20T15:37:08,324 adding 'scm/plams/recipes/md/amsmdjob.py' 2024-11-20T15:37:08,326 adding 'scm/plams/recipes/md/equilibratedensity.py' 2024-11-20T15:37:08,328 adding 'scm/plams/recipes/md/greenkuboviscosity.py' 2024-11-20T15:37:08,330 adding 'scm/plams/recipes/md/movingrestraints.py' 2024-11-20T15:37:08,332 adding 'scm/plams/recipes/md/nvespawner.py' 2024-11-20T15:37:08,333 adding 'scm/plams/recipes/md/scandensity.py' 2024-11-20T15:37:08,335 adding 'scm/plams/recipes/md/trajectoryanalysis.py' 2024-11-20T15:37:08,337 adding 'scm/plams/recipes/pestools/__init__.py' 2024-11-20T15:37:08,339 adding 'scm/plams/recipes/pestools/optimizer.py' 2024-11-20T15:37:08,341 adding 'scm/plams/recipes/ts/__init__.py' 2024-11-20T15:37:08,344 adding 'scm/plams/recipes/ts/reaction_boost_workflow.py' 2024-11-20T15:37:08,346 adding 'scm/plams/tools/__init__.py' 2024-11-20T15:37:08,349 adding 'scm/plams/tools/converters.py' 2024-11-20T15:37:08,350 adding 'scm/plams/tools/geometry.py' 2024-11-20T15:37:08,354 adding 'scm/plams/tools/kftools.py' 2024-11-20T15:37:08,356 adding 'scm/plams/tools/periodic_table.py' 2024-11-20T15:37:08,358 adding 'scm/plams/tools/plot.py' 2024-11-20T15:37:08,360 adding 'scm/plams/tools/postprocess_results.py' 2024-11-20T15:37:08,362 adding 'scm/plams/tools/reaction_energies.py' 2024-11-20T15:37:08,364 adding 'scm/plams/tools/units.py' 2024-11-20T15:37:08,366 adding 'scm/plams/trajectories/__init__.py' 2024-11-20T15:37:08,367 adding 'scm/plams/trajectories/analysis.py' 2024-11-20T15:37:08,369 adding 'scm/plams/trajectories/dcdfile.py' 2024-11-20T15:37:08,375 adding 'scm/plams/trajectories/rkffile.py' 2024-11-20T15:37:08,379 adding 'scm/plams/trajectories/rkfhistoryfile.py' 2024-11-20T15:37:08,381 adding 'scm/plams/trajectories/sdffile.py' 2024-11-20T15:37:08,383 adding 'scm/plams/trajectories/sdfhistoryfile.py' 2024-11-20T15:37:08,385 adding 'scm/plams/trajectories/trajectory.py' 2024-11-20T15:37:08,387 adding 'scm/plams/trajectories/trajectoryfile.py' 2024-11-20T15:37:08,390 adding 'scm/plams/trajectories/xyzfile.py' 2024-11-20T15:37:08,392 adding 'scm/plams/trajectories/xyzhistoryfile.py' 2024-11-20T15:37:08,394 adding 'scm/plams/unit_tests/__init__.py' 2024-11-20T15:37:08,395 adding 'scm/plams/unit_tests/conftest.py' 2024-11-20T15:37:08,396 adding 'scm/plams/unit_tests/test_ASECalculator.py' 2024-11-20T15:37:08,398 adding 'scm/plams/unit_tests/test_amsjob.py' 2024-11-20T15:37:08,399 adding 'scm/plams/unit_tests/test_helpers.py' 2024-11-20T15:37:08,400 adding 'scm/plams/unit_tests/test_identify_CO_6.py' 2024-11-20T15:37:08,401 adding 'scm/plams/unit_tests/test_identify_CO_flat4.py' 2024-11-20T15:37:08,402 adding 'scm/plams/unit_tests/test_identify_EZ.py' 2024-11-20T15:37:08,403 adding 'scm/plams/unit_tests/test_identify_RS.py' 2024-11-20T15:37:08,405 adding 'scm/plams/unit_tests/test_identify_basic.py' 2024-11-20T15:37:08,406 adding 'scm/plams/unit_tests/test_inputparser.py' 2024-11-20T15:37:08,408 adding 'scm/plams/unit_tests/test_interfaces.py' 2024-11-20T15:37:08,409 adding 'scm/plams/unit_tests/test_molecule.py' 2024-11-20T15:37:08,411 adding 'scm/plams/unit_tests/test_smiles.py' 2024-11-20T15:37:08,413 adding 'scm/plams/unit_tests/test_version.py' 2024-11-20T15:37:08,415 adding 'scm/plams/unit_tests/xyz/CO_6_1.xyz' 2024-11-20T15:37:08,416 adding 'scm/plams/unit_tests/xyz/CO_6_2.xyz' 2024-11-20T15:37:08,417 adding 'scm/plams/unit_tests/xyz/CO_6_3.xyz' 2024-11-20T15:37:08,419 adding 'scm/plams/unit_tests/xyz/CO_6_4.xyz' 2024-11-20T15:37:08,420 adding 'scm/plams/unit_tests/xyz/CO_6_5.xyz' 2024-11-20T15:37:08,421 adding 'scm/plams/unit_tests/xyz/CO_flat4_1.xyz' 2024-11-20T15:37:08,423 adding 'scm/plams/unit_tests/xyz/CO_flat4_2.xyz' 2024-11-20T15:37:08,424 adding 'scm/plams/unit_tests/xyz/CO_flat4_3.xyz' 2024-11-20T15:37:08,425 adding 'scm/plams/unit_tests/xyz/CO_flat4_4.xyz' 2024-11-20T15:37:08,426 adding 'scm/plams/unit_tests/xyz/EZ1.xyz' 2024-11-20T15:37:08,427 adding 'scm/plams/unit_tests/xyz/EZ2.xyz' 2024-11-20T15:37:08,429 adding 'scm/plams/unit_tests/xyz/RS1.xyz' 2024-11-20T15:37:08,430 adding 'scm/plams/unit_tests/xyz/RS2.xyz' 2024-11-20T15:37:08,431 adding 'scm/plams/unit_tests/xyz/benzene.xyz' 2024-11-20T15:37:08,433 adding 'scm/plams/unit_tests/xyz/chlorophyl1.xyz' 2024-11-20T15:37:08,435 adding 'scm/plams/unit_tests/xyz/chlorophyl2.xyz' 2024-11-20T15:37:08,437 adding 'scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz' 2024-11-20T15:37:08,438 adding 'plams-2024.105.dist-info/LICENSE.md' 2024-11-20T15:37:08,439 adding 'plams-2024.105.dist-info/METADATA' 2024-11-20T15:37:08,440 adding 'plams-2024.105.dist-info/WHEEL' 2024-11-20T15:37:08,441 adding 'plams-2024.105.dist-info/top_level.txt' 2024-11-20T15:37:08,444 adding 'plams-2024.105.dist-info/RECORD' 2024-11-20T15:37:08,452 removing build/bdist.linux-armv7l/wheel 2024-11-20T15:37:08,607 Building wheel for plams (setup.py): finished with status 'done' 2024-11-20T15:37:08,614 Created wheel for plams: filename=plams-2024.105-py3-none-any.whl size=474898 sha256=13ae27a0bdd3b625abc8cf91d163942a0cd14d95df7ff99670012fbd0e654643 2024-11-20T15:37:08,615 Stored in directory: /tmp/pip-ephem-wheel-cache-o4zgqene/wheels/9f/53/d3/32c61131d15c75a9e1395518361f53320cc593441a14bba955 2024-11-20T15:37:08,631 Successfully built plams 2024-11-20T15:37:08,652 Removed build tracker: '/tmp/pip-build-tracker-a7osu3lh'