2024-10-21T14:50:02,437 Created temporary directory: /tmp/pip-build-tracker-qxlpsub5 2024-10-21T14:50:02,438 Initialized build tracking at /tmp/pip-build-tracker-qxlpsub5 2024-10-21T14:50:02,439 Created build tracker: /tmp/pip-build-tracker-qxlpsub5 2024-10-21T14:50:02,439 Entered build tracker: /tmp/pip-build-tracker-qxlpsub5 2024-10-21T14:50:02,440 Created temporary directory: /tmp/pip-wheel-thm01dc0 2024-10-21T14:50:02,444 Created temporary directory: /tmp/pip-ephem-wheel-cache-5xhvit6x 2024-10-21T14:50:02,488 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-10-21T14:50:02,491 2 location(s) to search for versions of plams: 2024-10-21T14:50:02,491 * https://pypi.org/simple/plams/ 2024-10-21T14:50:02,491 * https://www.piwheels.org/simple/plams/ 2024-10-21T14:50:02,492 Fetching project page and analyzing links: https://pypi.org/simple/plams/ 2024-10-21T14:50:02,493 Getting page https://pypi.org/simple/plams/ 2024-10-21T14:50:02,494 Found index url https://pypi.org/simple/ 2024-10-21T14:50:02,723 Fetched page https://pypi.org/simple/plams/ as application/vnd.pypi.simple.v1+json 2024-10-21T14:50:02,726 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/) 2024-10-21T14:50:02,727 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 2024-10-21T14:50:02,728 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) 2024-10-21T14:50:02,729 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 2024-10-21T14:50:02,730 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) 2024-10-21T14:50:02,730 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 2024-10-21T14:50:02,731 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) 2024-10-21T14:50:02,732 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 2024-10-21T14:50:02,733 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) 2024-10-21T14:50:02,734 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 2024-10-21T14:50:02,735 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) 2024-10-21T14:50:02,735 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 2024-10-21T14:50:02,736 Fetching project page and analyzing links: https://www.piwheels.org/simple/plams/ 2024-10-21T14:50:02,737 Getting page https://www.piwheels.org/simple/plams/ 2024-10-21T14:50:02,738 Found index url https://www.piwheels.org/simple/ 2024-10-21T14:50:02,909 Fetched page https://www.piwheels.org/simple/plams/ as text/html 2024-10-21T14:50:02,912 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) 2024-10-21T14:50:02,912 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) 2024-10-21T14:50:02,913 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) 2024-10-21T14:50:02,913 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) 2024-10-21T14:50:02,913 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/) 2024-10-21T14:50:02,914 Skipping link: not a file: https://www.piwheels.org/simple/plams/ 2024-10-21T14:50:02,915 Skipping link: not a file: https://pypi.org/simple/plams/ 2024-10-21T14:50:02,934 Given no hashes to check 1 links for project 'plams': discarding no candidates 2024-10-21T14:50:02,935 Collecting plams==2024.104 2024-10-21T14:50:02,938 Created temporary directory: /tmp/pip-unpack-abhsd72t 2024-10-21T14:50:03,156 Downloading plams-2024.104.tar.gz (401 kB) 2024-10-21T14:50:03,641 Added plams==2024.104 from https://files.pythonhosted.org/packages/d2/25/30844466b9f8aa7faebbd2d3cdbcdf9bada7377b0a6a743fb846ff308d84/plams-2024.104.tar.gz to build tracker '/tmp/pip-build-tracker-qxlpsub5' 2024-10-21T14:50:03,643 Running setup.py (path:/tmp/pip-wheel-thm01dc0/plams_a9ca5e82c44148e5aa3e10125aca3d29/setup.py) egg_info for package plams 2024-10-21T14:50:03,644 Created temporary directory: /tmp/pip-pip-egg-info-7yay2gmg 2024-10-21T14:50:03,645 Preparing metadata (setup.py): started 2024-10-21T14:50:03,646 Running command python setup.py egg_info 2024-10-21T14:50:04,940 running egg_info 2024-10-21T14:50:04,942 creating /tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info 2024-10-21T14:50:04,970 writing /tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/PKG-INFO 2024-10-21T14:50:04,975 writing dependency_links to /tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/dependency_links.txt 2024-10-21T14:50:04,978 writing requirements to /tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/requires.txt 2024-10-21T14:50:04,979 writing top-level names to /tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/top_level.txt 2024-10-21T14:50:04,980 writing manifest file '/tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/SOURCES.txt' 2024-10-21T14:50:05,124 reading manifest file '/tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/SOURCES.txt' 2024-10-21T14:50:05,125 adding license file 'LICENSE.md' 2024-10-21T14:50:05,133 writing manifest file '/tmp/pip-pip-egg-info-7yay2gmg/plams.egg-info/SOURCES.txt' 2024-10-21T14:50:05,243 Preparing metadata (setup.py): finished with status 'done' 2024-10-21T14:50:05,247 Source in /tmp/pip-wheel-thm01dc0/plams_a9ca5e82c44148e5aa3e10125aca3d29 has version 2024.104, which satisfies requirement plams==2024.104 from https://files.pythonhosted.org/packages/d2/25/30844466b9f8aa7faebbd2d3cdbcdf9bada7377b0a6a743fb846ff308d84/plams-2024.104.tar.gz 2024-10-21T14:50:05,248 Removed plams==2024.104 from https://files.pythonhosted.org/packages/d2/25/30844466b9f8aa7faebbd2d3cdbcdf9bada7377b0a6a743fb846ff308d84/plams-2024.104.tar.gz from build tracker '/tmp/pip-build-tracker-qxlpsub5' 2024-10-21T14:50:05,255 Created temporary directory: /tmp/pip-unpack-6y9kqm6z 2024-10-21T14:50:05,256 Created temporary directory: /tmp/pip-unpack-snvgx1f5 2024-10-21T14:50:05,257 Building wheels for collected packages: plams 2024-10-21T14:50:05,260 Created temporary directory: /tmp/pip-wheel-pqgkwvnp 2024-10-21T14:50:05,261 Building wheel for plams (setup.py): started 2024-10-21T14:50:05,262 Destination directory: /tmp/pip-wheel-pqgkwvnp 2024-10-21T14:50:05,262 Running command python setup.py bdist_wheel 2024-10-21T14:50:06,284 running bdist_wheel 2024-10-21T14:50:06,416 running build 2024-10-21T14:50:06,416 running build_py 2024-10-21T14:50:06,448 creating build/lib/scm/plams 2024-10-21T14:50:06,451 copying ./__init__.py -> build/lib/scm/plams 2024-10-21T14:50:06,453 copying ./version.py -> build/lib/scm/plams 2024-10-21T14:50:06,455 creating build/lib/scm/plams/tools 2024-10-21T14:50:06,457 copying ./tools/periodic_table.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,459 copying ./tools/__init__.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,461 copying ./tools/geometry.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,463 copying ./tools/kftools.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,466 copying ./tools/converters.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,469 copying ./tools/reaction_energies.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,471 copying ./tools/units.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,474 copying ./tools/plot.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,476 copying ./tools/postprocess_results.py -> build/lib/scm/plams/tools 2024-10-21T14:50:06,479 creating build/lib/scm/plams/recipes 2024-10-21T14:50:06,480 copying ./recipes/fcf_dos.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,482 copying ./recipes/__init__.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,484 copying ./recipes/ams_crs.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,487 copying ./recipes/counterpoise.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,490 copying ./recipes/reorganization_energy.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,492 copying ./recipes/adffragment.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,494 copying ./recipes/cshadf.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,497 copying ./recipes/redox.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,500 copying ./recipes/numhess.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,502 copying ./recipes/ox_potential.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,505 copying ./recipes/redox_potential.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,507 copying ./recipes/adfnbo.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,510 copying ./recipes/adfcosmorsconformers.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,512 copying ./recipes/numgrad.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,514 copying ./recipes/redox_defaults.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,515 copying ./recipes/global_minimum.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,518 copying ./recipes/adfcosmorscompound.py -> build/lib/scm/plams/recipes 2024-10-21T14:50:06,521 creating build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,522 copying ./unit_tests/test_interfaces.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,525 copying ./unit_tests/test_ASECalculator.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,527 copying ./unit_tests/__init__.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,529 copying ./unit_tests/conftest.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,530 copying ./unit_tests/test_identify_CO_flat4.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,532 copying ./unit_tests/test_smiles.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,534 copying ./unit_tests/test_version.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,536 copying ./unit_tests/test_inputparser.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,538 copying ./unit_tests/test_amsjob.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,540 copying ./unit_tests/test_identify_basic.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,542 copying ./unit_tests/test_molecule.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,544 copying ./unit_tests/test_identify_RS.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,545 copying ./unit_tests/test_identify_EZ.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,547 copying ./unit_tests/test_helpers.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,549 copying ./unit_tests/test_identify_CO_6.py -> build/lib/scm/plams/unit_tests 2024-10-21T14:50:06,551 creating build/lib/scm/plams/core 2024-10-21T14:50:06,552 copying ./core/private.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,554 copying ./core/errors.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,556 copying ./core/jobmanager.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,558 copying ./core/__init__.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,560 copying ./core/basejob.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,562 copying ./core/settings.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,565 copying ./core/functions.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,567 copying ./core/results.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,570 copying ./core/jobrunner.py -> build/lib/scm/plams/core 2024-10-21T14:50:06,573 creating build/lib/scm/plams/interfaces 2024-10-21T14:50:06,574 copying ./interfaces/__init__.py -> build/lib/scm/plams/interfaces 2024-10-21T14:50:06,577 creating build/lib/scm/plams/mol 2024-10-21T14:50:06,578 copying ./mol/__init__.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,579 copying ./mol/atom.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,582 copying ./mol/pdbtools.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,584 copying ./mol/context.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,586 copying ./mol/bond.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,588 copying ./mol/molecule.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,592 copying ./mol/identify.py -> build/lib/scm/plams/mol 2024-10-21T14:50:06,595 creating build/lib/scm/plams/trajectories 2024-10-21T14:50:06,597 copying ./trajectories/xyzfile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,599 copying ./trajectories/__init__.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,601 copying ./trajectories/trajectory.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,604 copying ./trajectories/dcdfile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,606 copying ./trajectories/trajectoryfile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,609 copying ./trajectories/sdfhistoryfile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,611 copying ./trajectories/sdffile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,613 copying ./trajectories/rkffile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,616 copying ./trajectories/xyzhistoryfile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,618 copying ./trajectories/analysis.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,620 copying ./trajectories/rkfhistoryfile.py -> build/lib/scm/plams/trajectories 2024-10-21T14:50:06,623 creating build/lib/scm/plams/recipes/pestools 2024-10-21T14:50:06,624 copying ./recipes/pestools/__init__.py -> build/lib/scm/plams/recipes/pestools 2024-10-21T14:50:06,626 copying ./recipes/pestools/optimizer.py -> build/lib/scm/plams/recipes/pestools 2024-10-21T14:50:06,629 creating build/lib/scm/plams/recipes/ts 2024-10-21T14:50:06,630 copying ./recipes/ts/__init__.py -> build/lib/scm/plams/recipes/ts 2024-10-21T14:50:06,632 copying ./recipes/ts/reaction_boost_workflow.py -> build/lib/scm/plams/recipes/ts 2024-10-21T14:50:06,635 creating build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,636 copying ./recipes/md/trajectoryanalysis.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,639 copying ./recipes/md/__init__.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,640 copying ./recipes/md/equilibratedensity.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,642 copying ./recipes/md/amsmdjob.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,644 copying ./recipes/md/greenkuboviscosity.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,647 copying ./recipes/md/scandensity.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,648 copying ./recipes/md/movingrestraints.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,651 copying ./recipes/md/nvespawner.py -> build/lib/scm/plams/recipes/md 2024-10-21T14:50:06,653 creating build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,654 copying ./interfaces/thirdparty/crystal.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,657 copying ./interfaces/thirdparty/__init__.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,658 copying ./interfaces/thirdparty/orca.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,661 copying ./interfaces/thirdparty/dirac.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,662 copying ./interfaces/thirdparty/vasp.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,665 copying ./interfaces/thirdparty/gamess.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,667 copying ./interfaces/thirdparty/dftbplus.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,669 copying ./interfaces/thirdparty/raspa.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,672 copying ./interfaces/thirdparty/cp2k.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-21T14:50:06,675 creating build/lib/scm/plams/interfaces/molecule 2024-10-21T14:50:06,676 copying ./interfaces/molecule/packmol.py -> build/lib/scm/plams/interfaces/molecule 2024-10-21T14:50:06,679 copying ./interfaces/molecule/__init__.py -> build/lib/scm/plams/interfaces/molecule 2024-10-21T14:50:06,681 copying ./interfaces/molecule/ase.py -> build/lib/scm/plams/interfaces/molecule 2024-10-21T14:50:06,683 copying ./interfaces/molecule/rdkit.py -> build/lib/scm/plams/interfaces/molecule 2024-10-21T14:50:06,687 creating build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,689 copying ./interfaces/adfsuite/quickjobs.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,691 copying ./interfaces/adfsuite/uff.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,693 copying ./interfaces/adfsuite/ams.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,699 copying ./interfaces/adfsuite/densf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,701 copying ./interfaces/adfsuite/dftb.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,703 copying ./interfaces/adfsuite/__init__.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,705 copying ./interfaces/adfsuite/unifac.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,707 copying ./interfaces/adfsuite/amsworker.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,710 copying ./interfaces/adfsuite/amsanalysis.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,713 copying ./interfaces/adfsuite/band.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,715 copying ./interfaces/adfsuite/forcefieldparams.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,718 copying ./interfaces/adfsuite/scmjob.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,720 copying ./interfaces/adfsuite/crs.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,723 copying ./interfaces/adfsuite/ase_calculator.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,725 copying ./interfaces/adfsuite/adf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,727 copying ./interfaces/adfsuite/inputparser.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,729 copying ./interfaces/adfsuite/mopac.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,731 copying ./interfaces/adfsuite/amspipeerror.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,733 copying ./interfaces/adfsuite/reaxff.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,735 copying ./interfaces/adfsuite/fcf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-21T14:50:06,750 copying ./.flake8 -> build/lib/scm/plams 2024-10-21T14:50:06,752 copying ./plams_defaults -> build/lib/scm/plams 2024-10-21T14:50:06,755 creating build/lib/scm/plams/examples 2024-10-21T14:50:06,756 copying ./examples/QE_AMS_AFM_HubbardU.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,758 copying ./examples/get_water_indices.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,760 copying ./examples/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,762 copying ./examples/TuningRangeSeparation.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,765 copying ./examples/He2DissociationCurve.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,767 copying ./examples/ManyJobsInParallel.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,769 copying ./examples/ConvertToAMSRKFTrajectory.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,771 copying ./examples/ChargeTransferIntegralsADF.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,773 copying ./examples/AMSPlumedMD.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,775 copying ./examples/get_ionic_conductivity.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,778 copying ./examples/BAND_NiO_HubbardU.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,780 copying ./examples/plot_correlation.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,783 copying ./examples/ams_crs.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,786 copying ./examples/get_hbonds.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,788 copying ./examples/ir_spectrum_from_md.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,791 copying ./examples/MoleculesFromRKFTrajectory.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,793 copying ./examples/reuse_forcefieldparams.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,795 copying ./examples/UseLowestEnergy.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,798 copying ./examples/BasisSetBenchmark.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,801 copying ./examples/PropertyPrediction.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,803 copying ./examples/ReductionOxidationPotentials.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,805 copying ./examples/M3GNet.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,807 copying ./examples/xrd.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,809 copying ./examples/MoleculesTable.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,812 copying ./examples/BasicMDPostanalysis.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,814 copying ./examples/rkf_to_wrapped_dcd.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,817 copying ./examples/WaterOptimization.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,819 copying ./examples/ConformersGeneration.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,822 copying ./examples/get_charged_ions.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,824 copying ./examples/CustomASECalculator.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,826 copying ./examples/PackMol.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,829 copying ./examples/ASECalculator.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,831 copying ./examples/get_irspectrum.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,834 copying ./examples/molecules_ReactionEnergyBenchmark.zip -> build/lib/scm/plams/examples 2024-10-21T14:50:06,836 copying ./examples/ExcitationsWorkflow.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,838 copying ./examples/AMSMDJob.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,841 copying ./examples/MoleculeSubstitution.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,843 copying ./examples/ReorganizationEnergy.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,845 copying ./examples/SellaTransitionStateSearch.py -> build/lib/scm/plams/examples 2024-10-21T14:50:06,853 creating build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,855 copying ./unit_tests/xyz/EZ1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,857 copying ./unit_tests/xyz/CO_6_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,859 copying ./unit_tests/xyz/CO_flat4_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,861 copying ./unit_tests/xyz/chlorophyl2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,864 copying ./unit_tests/xyz/CO_6_5.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,866 copying ./unit_tests/xyz/CO_6_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,868 copying ./unit_tests/xyz/CO_flat4_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,870 copying ./unit_tests/xyz/EZ2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,872 copying ./unit_tests/xyz/CO_6_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,874 copying ./unit_tests/xyz/RS1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,876 copying ./unit_tests/xyz/CO_flat4_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,879 copying ./unit_tests/xyz/RS2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,881 copying ./unit_tests/xyz/CO_flat4_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,883 copying ./unit_tests/xyz/benzene.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,885 copying ./unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,887 copying ./unit_tests/xyz/chlorophyl1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,890 copying ./unit_tests/xyz/CO_6_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-21T14:50:06,900 running build_scripts 2024-10-21T14:50:06,901 creating build/scripts-3.11 2024-10-21T14:50:06,902 copying and adjusting scripts/plams -> build/scripts-3.11 2024-10-21T14:50:06,903 changing mode of build/scripts-3.11/plams from 644 to 755 2024-10-21T14:50:06,931 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2024-10-21T14:50:06,932 !! 2024-10-21T14:50:06,933 ******************************************************************************** 2024-10-21T14:50:06,934 Please avoid running ``setup.py`` directly. 2024-10-21T14:50:06,934 Instead, use pypa/build, pypa/installer or other 2024-10-21T14:50:06,935 standards-based tools. 2024-10-21T14:50:06,936 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2024-10-21T14:50:06,937 ******************************************************************************** 2024-10-21T14:50:06,938 !! 2024-10-21T14:50:06,938 self.initialize_options() 2024-10-21T14:50:06,960 installing to build/bdist.linux-armv7l/wheel 2024-10-21T14:50:06,961 running install 2024-10-21T14:50:06,986 running install_lib 2024-10-21T14:50:07,014 creating build/bdist.linux-armv7l/wheel 2024-10-21T14:50:07,016 creating build/bdist.linux-armv7l/wheel/scm 2024-10-21T14:50:07,018 creating build/bdist.linux-armv7l/wheel/scm/plams 2024-10-21T14:50:07,020 creating build/bdist.linux-armv7l/wheel/scm/plams/tools 2024-10-21T14:50:07,021 copying build/lib/scm/plams/tools/periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,024 copying build/lib/scm/plams/tools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,025 copying build/lib/scm/plams/tools/geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,027 copying build/lib/scm/plams/tools/kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,030 copying build/lib/scm/plams/tools/converters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,032 copying build/lib/scm/plams/tools/reaction_energies.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,034 copying build/lib/scm/plams/tools/units.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,038 copying build/lib/scm/plams/tools/plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,040 copying build/lib/scm/plams/tools/postprocess_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-21T14:50:07,043 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes 2024-10-21T14:50:07,044 copying build/lib/scm/plams/recipes/fcf_dos.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,046 copying build/lib/scm/plams/recipes/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,047 copying build/lib/scm/plams/recipes/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,050 copying build/lib/scm/plams/recipes/counterpoise.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,052 copying build/lib/scm/plams/recipes/reorganization_energy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,054 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/pestools 2024-10-21T14:50:07,055 copying build/lib/scm/plams/recipes/pestools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2024-10-21T14:50:07,057 copying build/lib/scm/plams/recipes/pestools/optimizer.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2024-10-21T14:50:07,060 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/ts 2024-10-21T14:50:07,061 copying build/lib/scm/plams/recipes/ts/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2024-10-21T14:50:07,063 copying build/lib/scm/plams/recipes/ts/reaction_boost_workflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2024-10-21T14:50:07,066 copying build/lib/scm/plams/recipes/adffragment.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,067 copying build/lib/scm/plams/recipes/cshadf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,070 copying build/lib/scm/plams/recipes/redox.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,073 copying build/lib/scm/plams/recipes/numhess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,074 copying build/lib/scm/plams/recipes/ox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,078 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/md 2024-10-21T14:50:07,079 copying build/lib/scm/plams/recipes/md/trajectoryanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,082 copying build/lib/scm/plams/recipes/md/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,083 copying build/lib/scm/plams/recipes/md/equilibratedensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,085 copying build/lib/scm/plams/recipes/md/amsmdjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,088 copying build/lib/scm/plams/recipes/md/greenkuboviscosity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,090 copying build/lib/scm/plams/recipes/md/scandensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,092 copying build/lib/scm/plams/recipes/md/movingrestraints.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,094 copying build/lib/scm/plams/recipes/md/nvespawner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-21T14:50:07,096 copying build/lib/scm/plams/recipes/redox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,098 copying build/lib/scm/plams/recipes/adfnbo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,100 copying build/lib/scm/plams/recipes/adfcosmorsconformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,102 copying build/lib/scm/plams/recipes/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,104 copying build/lib/scm/plams/recipes/redox_defaults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,106 copying build/lib/scm/plams/recipes/global_minimum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,108 copying build/lib/scm/plams/recipes/adfcosmorscompound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-21T14:50:07,111 copying build/lib/scm/plams/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-21T14:50:07,114 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests 2024-10-21T14:50:07,115 copying build/lib/scm/plams/unit_tests/test_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,117 copying build/lib/scm/plams/unit_tests/test_ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,119 copying build/lib/scm/plams/unit_tests/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,120 copying build/lib/scm/plams/unit_tests/conftest.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,122 copying build/lib/scm/plams/unit_tests/test_identify_CO_flat4.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,123 copying build/lib/scm/plams/unit_tests/test_smiles.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,126 copying build/lib/scm/plams/unit_tests/test_version.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,128 copying build/lib/scm/plams/unit_tests/test_inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,130 copying build/lib/scm/plams/unit_tests/test_amsjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,132 copying build/lib/scm/plams/unit_tests/test_identify_basic.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,134 copying build/lib/scm/plams/unit_tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,136 copying build/lib/scm/plams/unit_tests/test_identify_RS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,138 copying build/lib/scm/plams/unit_tests/test_identify_EZ.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,140 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/xyz 2024-10-21T14:50:07,141 copying build/lib/scm/plams/unit_tests/xyz/EZ1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,143 copying build/lib/scm/plams/unit_tests/xyz/CO_6_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,145 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,147 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,149 copying build/lib/scm/plams/unit_tests/xyz/CO_6_5.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,151 copying build/lib/scm/plams/unit_tests/xyz/CO_6_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,153 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,155 copying build/lib/scm/plams/unit_tests/xyz/EZ2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,157 copying build/lib/scm/plams/unit_tests/xyz/CO_6_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,158 copying build/lib/scm/plams/unit_tests/xyz/RS1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,160 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,162 copying build/lib/scm/plams/unit_tests/xyz/RS2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,163 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,165 copying build/lib/scm/plams/unit_tests/xyz/benzene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,167 copying build/lib/scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,169 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,171 copying build/lib/scm/plams/unit_tests/xyz/CO_6_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-21T14:50:07,173 copying build/lib/scm/plams/unit_tests/test_helpers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,175 copying build/lib/scm/plams/unit_tests/test_identify_CO_6.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-21T14:50:07,177 creating build/bdist.linux-armv7l/wheel/scm/plams/core 2024-10-21T14:50:07,178 copying build/lib/scm/plams/core/private.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,181 copying build/lib/scm/plams/core/errors.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,183 copying build/lib/scm/plams/core/jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,185 copying build/lib/scm/plams/core/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,186 copying build/lib/scm/plams/core/basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,189 copying build/lib/scm/plams/core/settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,192 copying build/lib/scm/plams/core/functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,194 copying build/lib/scm/plams/core/results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,197 copying build/lib/scm/plams/core/jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-21T14:50:07,199 copying build/lib/scm/plams/.flake8 -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-21T14:50:07,202 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces 2024-10-21T14:50:07,204 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,205 copying build/lib/scm/plams/interfaces/thirdparty/crystal.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,208 copying build/lib/scm/plams/interfaces/thirdparty/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,210 copying build/lib/scm/plams/interfaces/thirdparty/orca.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,212 copying build/lib/scm/plams/interfaces/thirdparty/dirac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,215 copying build/lib/scm/plams/interfaces/thirdparty/vasp.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,217 copying build/lib/scm/plams/interfaces/thirdparty/gamess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,219 copying build/lib/scm/plams/interfaces/thirdparty/dftbplus.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,221 copying build/lib/scm/plams/interfaces/thirdparty/raspa.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,223 copying build/lib/scm/plams/interfaces/thirdparty/cp2k.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-21T14:50:07,226 copying build/lib/scm/plams/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces 2024-10-21T14:50:07,228 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/molecule 2024-10-21T14:50:07,229 copying build/lib/scm/plams/interfaces/molecule/packmol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-21T14:50:07,232 copying build/lib/scm/plams/interfaces/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-21T14:50:07,233 copying build/lib/scm/plams/interfaces/molecule/ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-21T14:50:07,235 copying build/lib/scm/plams/interfaces/molecule/rdkit.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-21T14:50:07,240 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,241 copying build/lib/scm/plams/interfaces/adfsuite/quickjobs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,243 copying build/lib/scm/plams/interfaces/adfsuite/uff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,245 copying build/lib/scm/plams/interfaces/adfsuite/ams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,250 copying build/lib/scm/plams/interfaces/adfsuite/densf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,251 copying build/lib/scm/plams/interfaces/adfsuite/dftb.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,254 copying build/lib/scm/plams/interfaces/adfsuite/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,255 copying build/lib/scm/plams/interfaces/adfsuite/unifac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,258 copying build/lib/scm/plams/interfaces/adfsuite/amsworker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,261 copying build/lib/scm/plams/interfaces/adfsuite/amsanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,264 copying build/lib/scm/plams/interfaces/adfsuite/band.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,266 copying build/lib/scm/plams/interfaces/adfsuite/forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,269 copying build/lib/scm/plams/interfaces/adfsuite/scmjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,271 copying build/lib/scm/plams/interfaces/adfsuite/crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,273 copying build/lib/scm/plams/interfaces/adfsuite/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,276 copying build/lib/scm/plams/interfaces/adfsuite/adf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,278 copying build/lib/scm/plams/interfaces/adfsuite/inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,281 copying build/lib/scm/plams/interfaces/adfsuite/mopac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,282 copying build/lib/scm/plams/interfaces/adfsuite/amspipeerror.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,284 copying build/lib/scm/plams/interfaces/adfsuite/reaxff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,287 copying build/lib/scm/plams/interfaces/adfsuite/fcf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-21T14:50:07,289 copying build/lib/scm/plams/version.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-21T14:50:07,291 creating build/bdist.linux-armv7l/wheel/scm/plams/mol 2024-10-21T14:50:07,292 copying build/lib/scm/plams/mol/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,294 copying build/lib/scm/plams/mol/atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,296 copying build/lib/scm/plams/mol/pdbtools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,298 copying build/lib/scm/plams/mol/context.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,300 copying build/lib/scm/plams/mol/bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,302 copying build/lib/scm/plams/mol/molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,307 copying build/lib/scm/plams/mol/identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-21T14:50:07,309 copying build/lib/scm/plams/plams_defaults -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-21T14:50:07,312 creating build/bdist.linux-armv7l/wheel/scm/plams/examples 2024-10-21T14:50:07,313 copying build/lib/scm/plams/examples/QE_AMS_AFM_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,315 copying build/lib/scm/plams/examples/get_water_indices.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,317 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,319 copying build/lib/scm/plams/examples/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,321 copying build/lib/scm/plams/examples/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,323 copying build/lib/scm/plams/examples/ManyJobsInParallel.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,325 copying build/lib/scm/plams/examples/ConvertToAMSRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,327 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,328 copying build/lib/scm/plams/examples/AMSPlumedMD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,330 copying build/lib/scm/plams/examples/get_ionic_conductivity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,332 copying build/lib/scm/plams/examples/BAND_NiO_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,334 copying build/lib/scm/plams/examples/plot_correlation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,336 copying build/lib/scm/plams/examples/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,338 copying build/lib/scm/plams/examples/get_hbonds.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,340 copying build/lib/scm/plams/examples/ir_spectrum_from_md.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,342 copying build/lib/scm/plams/examples/MoleculesFromRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,345 copying build/lib/scm/plams/examples/reuse_forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,346 copying build/lib/scm/plams/examples/UseLowestEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,349 copying build/lib/scm/plams/examples/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,350 copying build/lib/scm/plams/examples/PropertyPrediction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,352 copying build/lib/scm/plams/examples/ReductionOxidationPotentials.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,354 copying build/lib/scm/plams/examples/M3GNet.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,355 copying build/lib/scm/plams/examples/xrd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,357 copying build/lib/scm/plams/examples/MoleculesTable.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,359 copying build/lib/scm/plams/examples/BasicMDPostanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,361 copying build/lib/scm/plams/examples/rkf_to_wrapped_dcd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,363 copying build/lib/scm/plams/examples/WaterOptimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,365 copying build/lib/scm/plams/examples/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,367 copying build/lib/scm/plams/examples/get_charged_ions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,369 copying build/lib/scm/plams/examples/CustomASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,371 copying build/lib/scm/plams/examples/PackMol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,373 copying build/lib/scm/plams/examples/ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,375 copying build/lib/scm/plams/examples/get_irspectrum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,377 copying build/lib/scm/plams/examples/molecules_ReactionEnergyBenchmark.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,380 copying build/lib/scm/plams/examples/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,382 copying build/lib/scm/plams/examples/AMSMDJob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,384 copying build/lib/scm/plams/examples/MoleculeSubstitution.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,386 copying build/lib/scm/plams/examples/ReorganizationEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,387 copying build/lib/scm/plams/examples/SellaTransitionStateSearch.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-21T14:50:07,390 creating build/bdist.linux-armv7l/wheel/scm/plams/trajectories 2024-10-21T14:50:07,391 copying build/lib/scm/plams/trajectories/xyzfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,394 copying build/lib/scm/plams/trajectories/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,395 copying build/lib/scm/plams/trajectories/trajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,398 copying build/lib/scm/plams/trajectories/dcdfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,400 copying build/lib/scm/plams/trajectories/trajectoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,403 copying build/lib/scm/plams/trajectories/sdfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,405 copying build/lib/scm/plams/trajectories/sdffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,407 copying build/lib/scm/plams/trajectories/rkffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,410 copying build/lib/scm/plams/trajectories/xyzhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,412 copying build/lib/scm/plams/trajectories/analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,414 copying build/lib/scm/plams/trajectories/rkfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-21T14:50:07,417 running install_egg_info 2024-10-21T14:50:07,453 running egg_info 2024-10-21T14:50:07,480 writing plams.egg-info/PKG-INFO 2024-10-21T14:50:07,484 writing dependency_links to plams.egg-info/dependency_links.txt 2024-10-21T14:50:07,487 writing requirements to plams.egg-info/requires.txt 2024-10-21T14:50:07,488 writing top-level names to plams.egg-info/top_level.txt 2024-10-21T14:50:07,539 reading manifest file 'plams.egg-info/SOURCES.txt' 2024-10-21T14:50:07,549 adding license file 'LICENSE.md' 2024-10-21T14:50:07,562 writing manifest file 'plams.egg-info/SOURCES.txt' 2024-10-21T14:50:07,563 Copying plams.egg-info to build/bdist.linux-armv7l/wheel/./plams-2024.104-py3.11.egg-info 2024-10-21T14:50:07,574 running install_scripts 2024-10-21T14:50:07,575 creating build/bdist.linux-armv7l/wheel/plams-2024.104.data/scripts 2024-10-21T14:50:07,577 copying build/scripts-3.11/plams -> build/bdist.linux-armv7l/wheel/plams-2024.104.data/scripts 2024-10-21T14:50:07,579 changing mode of build/bdist.linux-armv7l/wheel/plams-2024.104.data/scripts/plams to 755 2024-10-21T14:50:07,593 creating build/bdist.linux-armv7l/wheel/plams-2024.104.dist-info/WHEEL 2024-10-21T14:50:07,596 creating '/tmp/pip-wheel-pqgkwvnp/plams-2024.104-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-10-21T14:50:07,599 adding 'plams-2024.104.data/scripts/plams' 2024-10-21T14:50:07,602 adding 'scm/plams/.flake8' 2024-10-21T14:50:07,604 adding 'scm/plams/__init__.py' 2024-10-21T14:50:07,605 adding 'scm/plams/plams_defaults' 2024-10-21T14:50:07,607 adding 'scm/plams/version.py' 2024-10-21T14:50:07,608 adding 'scm/plams/core/__init__.py' 2024-10-21T14:50:07,613 adding 'scm/plams/core/basejob.py' 2024-10-21T14:50:07,614 adding 'scm/plams/core/errors.py' 2024-10-21T14:50:07,617 adding 'scm/plams/core/functions.py' 2024-10-21T14:50:07,619 adding 'scm/plams/core/jobmanager.py' 2024-10-21T14:50:07,622 adding 'scm/plams/core/jobrunner.py' 2024-10-21T14:50:07,624 adding 'scm/plams/core/private.py' 2024-10-21T14:50:07,627 adding 'scm/plams/core/results.py' 2024-10-21T14:50:07,629 adding 'scm/plams/core/settings.py' 2024-10-21T14:50:07,632 adding 'scm/plams/examples/AMSMDJob.py' 2024-10-21T14:50:07,633 adding 'scm/plams/examples/AMSPlumedMD.py' 2024-10-21T14:50:07,635 adding 'scm/plams/examples/ASECalculator.py' 2024-10-21T14:50:07,637 adding 'scm/plams/examples/BAND_NiO_HubbardU.py' 2024-10-21T14:50:07,638 adding 'scm/plams/examples/BasicMDPostanalysis.py' 2024-10-21T14:50:07,639 adding 'scm/plams/examples/BasisSetBenchmark.py' 2024-10-21T14:50:07,641 adding 'scm/plams/examples/ChargeTransferIntegralsADF.py' 2024-10-21T14:50:07,642 adding 'scm/plams/examples/ConformersGeneration.py' 2024-10-21T14:50:07,643 adding 'scm/plams/examples/ConvertToAMSRKFTrajectory.py' 2024-10-21T14:50:07,644 adding 'scm/plams/examples/CustomASECalculator.py' 2024-10-21T14:50:07,646 adding 'scm/plams/examples/ExcitationsWorkflow.py' 2024-10-21T14:50:07,647 adding 'scm/plams/examples/He2DissociationCurve.py' 2024-10-21T14:50:07,648 adding 'scm/plams/examples/M3GNet.py' 2024-10-21T14:50:07,650 adding 'scm/plams/examples/ManyJobsInParallel.py' 2024-10-21T14:50:07,651 adding 'scm/plams/examples/MoleculeSubstitution.py' 2024-10-21T14:50:07,652 adding 'scm/plams/examples/MoleculesFromRKFTrajectory.py' 2024-10-21T14:50:07,654 adding 'scm/plams/examples/MoleculesTable.py' 2024-10-21T14:50:07,656 adding 'scm/plams/examples/PackMol.py' 2024-10-21T14:50:07,657 adding 'scm/plams/examples/PropertyPrediction.py' 2024-10-21T14:50:07,659 adding 'scm/plams/examples/QE_AMS_AFM_HubbardU.py' 2024-10-21T14:50:07,660 adding 'scm/plams/examples/ReactionEnergyBenchmark.py' 2024-10-21T14:50:07,662 adding 'scm/plams/examples/ReductionOxidationPotentials.py' 2024-10-21T14:50:07,663 adding 'scm/plams/examples/ReorganizationEnergy.py' 2024-10-21T14:50:07,664 adding 'scm/plams/examples/SellaTransitionStateSearch.py' 2024-10-21T14:50:07,666 adding 'scm/plams/examples/TuningRangeSeparation.py' 2024-10-21T14:50:07,667 adding 'scm/plams/examples/UseLowestEnergy.py' 2024-10-21T14:50:07,669 adding 'scm/plams/examples/WaterOptimization.py' 2024-10-21T14:50:07,670 adding 'scm/plams/examples/ams_crs.py' 2024-10-21T14:50:07,671 adding 'scm/plams/examples/get_charged_ions.py' 2024-10-21T14:50:07,673 adding 'scm/plams/examples/get_hbonds.py' 2024-10-21T14:50:07,674 adding 'scm/plams/examples/get_ionic_conductivity.py' 2024-10-21T14:50:07,675 adding 'scm/plams/examples/get_irspectrum.py' 2024-10-21T14:50:07,677 adding 'scm/plams/examples/get_water_indices.py' 2024-10-21T14:50:07,678 adding 'scm/plams/examples/ir_spectrum_from_md.py' 2024-10-21T14:50:07,680 adding 'scm/plams/examples/molecules_ReactionEnergyBenchmark.zip' 2024-10-21T14:50:07,682 adding 'scm/plams/examples/plot_correlation.py' 2024-10-21T14:50:07,683 adding 'scm/plams/examples/reuse_forcefieldparams.py' 2024-10-21T14:50:07,684 adding 'scm/plams/examples/rkf_to_wrapped_dcd.py' 2024-10-21T14:50:07,685 adding 'scm/plams/examples/xrd.py' 2024-10-21T14:50:07,687 adding 'scm/plams/interfaces/__init__.py' 2024-10-21T14:50:07,688 adding 'scm/plams/interfaces/adfsuite/__init__.py' 2024-10-21T14:50:07,690 adding 'scm/plams/interfaces/adfsuite/adf.py' 2024-10-21T14:50:07,706 adding 'scm/plams/interfaces/adfsuite/ams.py' 2024-10-21T14:50:07,709 adding 'scm/plams/interfaces/adfsuite/amsanalysis.py' 2024-10-21T14:50:07,710 adding 'scm/plams/interfaces/adfsuite/amspipeerror.py' 2024-10-21T14:50:07,718 adding 'scm/plams/interfaces/adfsuite/amsworker.py' 2024-10-21T14:50:07,720 adding 'scm/plams/interfaces/adfsuite/ase_calculator.py' 2024-10-21T14:50:07,722 adding 'scm/plams/interfaces/adfsuite/band.py' 2024-10-21T14:50:07,724 adding 'scm/plams/interfaces/adfsuite/crs.py' 2024-10-21T14:50:07,725 adding 'scm/plams/interfaces/adfsuite/densf.py' 2024-10-21T14:50:07,727 adding 'scm/plams/interfaces/adfsuite/dftb.py' 2024-10-21T14:50:07,728 adding 'scm/plams/interfaces/adfsuite/fcf.py' 2024-10-21T14:50:07,730 adding 'scm/plams/interfaces/adfsuite/forcefieldparams.py' 2024-10-21T14:50:07,731 adding 'scm/plams/interfaces/adfsuite/inputparser.py' 2024-10-21T14:50:07,733 adding 'scm/plams/interfaces/adfsuite/mopac.py' 2024-10-21T14:50:07,735 adding 'scm/plams/interfaces/adfsuite/quickjobs.py' 2024-10-21T14:50:07,737 adding 'scm/plams/interfaces/adfsuite/reaxff.py' 2024-10-21T14:50:07,740 adding 'scm/plams/interfaces/adfsuite/scmjob.py' 2024-10-21T14:50:07,741 adding 'scm/plams/interfaces/adfsuite/uff.py' 2024-10-21T14:50:07,743 adding 'scm/plams/interfaces/adfsuite/unifac.py' 2024-10-21T14:50:07,744 adding 'scm/plams/interfaces/molecule/__init__.py' 2024-10-21T14:50:07,746 adding 'scm/plams/interfaces/molecule/ase.py' 2024-10-21T14:50:07,750 adding 'scm/plams/interfaces/molecule/packmol.py' 2024-10-21T14:50:07,756 adding 'scm/plams/interfaces/molecule/rdkit.py' 2024-10-21T14:50:07,758 adding 'scm/plams/interfaces/thirdparty/__init__.py' 2024-10-21T14:50:07,761 adding 'scm/plams/interfaces/thirdparty/cp2k.py' 2024-10-21T14:50:07,763 adding 'scm/plams/interfaces/thirdparty/crystal.py' 2024-10-21T14:50:07,765 adding 'scm/plams/interfaces/thirdparty/dftbplus.py' 2024-10-21T14:50:07,766 adding 'scm/plams/interfaces/thirdparty/dirac.py' 2024-10-21T14:50:07,768 adding 'scm/plams/interfaces/thirdparty/gamess.py' 2024-10-21T14:50:07,770 adding 'scm/plams/interfaces/thirdparty/orca.py' 2024-10-21T14:50:07,772 adding 'scm/plams/interfaces/thirdparty/raspa.py' 2024-10-21T14:50:07,774 adding 'scm/plams/interfaces/thirdparty/vasp.py' 2024-10-21T14:50:07,775 adding 'scm/plams/mol/__init__.py' 2024-10-21T14:50:07,777 adding 'scm/plams/mol/atom.py' 2024-10-21T14:50:07,779 adding 'scm/plams/mol/bond.py' 2024-10-21T14:50:07,780 adding 'scm/plams/mol/context.py' 2024-10-21T14:50:07,782 adding 'scm/plams/mol/identify.py' 2024-10-21T14:50:07,802 adding 'scm/plams/mol/molecule.py' 2024-10-21T14:50:07,804 adding 'scm/plams/mol/pdbtools.py' 2024-10-21T14:50:07,806 adding 'scm/plams/recipes/__init__.py' 2024-10-21T14:50:07,808 adding 'scm/plams/recipes/adfcosmorscompound.py' 2024-10-21T14:50:07,810 adding 'scm/plams/recipes/adfcosmorsconformers.py' 2024-10-21T14:50:07,811 adding 'scm/plams/recipes/adffragment.py' 2024-10-21T14:50:07,813 adding 'scm/plams/recipes/adfnbo.py' 2024-10-21T14:50:07,815 adding 'scm/plams/recipes/ams_crs.py' 2024-10-21T14:50:07,816 adding 'scm/plams/recipes/counterpoise.py' 2024-10-21T14:50:07,818 adding 'scm/plams/recipes/cshadf.py' 2024-10-21T14:50:07,819 adding 'scm/plams/recipes/fcf_dos.py' 2024-10-21T14:50:07,821 adding 'scm/plams/recipes/global_minimum.py' 2024-10-21T14:50:07,822 adding 'scm/plams/recipes/numgrad.py' 2024-10-21T14:50:07,824 adding 'scm/plams/recipes/numhess.py' 2024-10-21T14:50:07,826 adding 'scm/plams/recipes/ox_potential.py' 2024-10-21T14:50:07,829 adding 'scm/plams/recipes/redox.py' 2024-10-21T14:50:07,830 adding 'scm/plams/recipes/redox_defaults.py' 2024-10-21T14:50:07,832 adding 'scm/plams/recipes/redox_potential.py' 2024-10-21T14:50:07,834 adding 'scm/plams/recipes/reorganization_energy.py' 2024-10-21T14:50:07,836 adding 'scm/plams/recipes/md/__init__.py' 2024-10-21T14:50:07,838 adding 'scm/plams/recipes/md/amsmdjob.py' 2024-10-21T14:50:07,840 adding 'scm/plams/recipes/md/equilibratedensity.py' 2024-10-21T14:50:07,842 adding 'scm/plams/recipes/md/greenkuboviscosity.py' 2024-10-21T14:50:07,844 adding 'scm/plams/recipes/md/movingrestraints.py' 2024-10-21T14:50:07,845 adding 'scm/plams/recipes/md/nvespawner.py' 2024-10-21T14:50:07,847 adding 'scm/plams/recipes/md/scandensity.py' 2024-10-21T14:50:07,849 adding 'scm/plams/recipes/md/trajectoryanalysis.py' 2024-10-21T14:50:07,851 adding 'scm/plams/recipes/pestools/__init__.py' 2024-10-21T14:50:07,853 adding 'scm/plams/recipes/pestools/optimizer.py' 2024-10-21T14:50:07,855 adding 'scm/plams/recipes/ts/__init__.py' 2024-10-21T14:50:07,857 adding 'scm/plams/recipes/ts/reaction_boost_workflow.py' 2024-10-21T14:50:07,859 adding 'scm/plams/tools/__init__.py' 2024-10-21T14:50:07,861 adding 'scm/plams/tools/converters.py' 2024-10-21T14:50:07,863 adding 'scm/plams/tools/geometry.py' 2024-10-21T14:50:07,867 adding 'scm/plams/tools/kftools.py' 2024-10-21T14:50:07,869 adding 'scm/plams/tools/periodic_table.py' 2024-10-21T14:50:07,871 adding 'scm/plams/tools/plot.py' 2024-10-21T14:50:07,872 adding 'scm/plams/tools/postprocess_results.py' 2024-10-21T14:50:07,874 adding 'scm/plams/tools/reaction_energies.py' 2024-10-21T14:50:07,876 adding 'scm/plams/tools/units.py' 2024-10-21T14:50:07,877 adding 'scm/plams/trajectories/__init__.py' 2024-10-21T14:50:07,879 adding 'scm/plams/trajectories/analysis.py' 2024-10-21T14:50:07,881 adding 'scm/plams/trajectories/dcdfile.py' 2024-10-21T14:50:07,886 adding 'scm/plams/trajectories/rkffile.py' 2024-10-21T14:50:07,890 adding 'scm/plams/trajectories/rkfhistoryfile.py' 2024-10-21T14:50:07,893 adding 'scm/plams/trajectories/sdffile.py' 2024-10-21T14:50:07,895 adding 'scm/plams/trajectories/sdfhistoryfile.py' 2024-10-21T14:50:07,897 adding 'scm/plams/trajectories/trajectory.py' 2024-10-21T14:50:07,899 adding 'scm/plams/trajectories/trajectoryfile.py' 2024-10-21T14:50:07,901 adding 'scm/plams/trajectories/xyzfile.py' 2024-10-21T14:50:07,903 adding 'scm/plams/trajectories/xyzhistoryfile.py' 2024-10-21T14:50:07,905 adding 'scm/plams/unit_tests/__init__.py' 2024-10-21T14:50:07,906 adding 'scm/plams/unit_tests/conftest.py' 2024-10-21T14:50:07,907 adding 'scm/plams/unit_tests/test_ASECalculator.py' 2024-10-21T14:50:07,908 adding 'scm/plams/unit_tests/test_amsjob.py' 2024-10-21T14:50:07,909 adding 'scm/plams/unit_tests/test_helpers.py' 2024-10-21T14:50:07,910 adding 'scm/plams/unit_tests/test_identify_CO_6.py' 2024-10-21T14:50:07,911 adding 'scm/plams/unit_tests/test_identify_CO_flat4.py' 2024-10-21T14:50:07,912 adding 'scm/plams/unit_tests/test_identify_EZ.py' 2024-10-21T14:50:07,913 adding 'scm/plams/unit_tests/test_identify_RS.py' 2024-10-21T14:50:07,914 adding 'scm/plams/unit_tests/test_identify_basic.py' 2024-10-21T14:50:07,916 adding 'scm/plams/unit_tests/test_inputparser.py' 2024-10-21T14:50:07,917 adding 'scm/plams/unit_tests/test_interfaces.py' 2024-10-21T14:50:07,919 adding 'scm/plams/unit_tests/test_molecule.py' 2024-10-21T14:50:07,921 adding 'scm/plams/unit_tests/test_smiles.py' 2024-10-21T14:50:07,922 adding 'scm/plams/unit_tests/test_version.py' 2024-10-21T14:50:07,924 adding 'scm/plams/unit_tests/xyz/CO_6_1.xyz' 2024-10-21T14:50:07,925 adding 'scm/plams/unit_tests/xyz/CO_6_2.xyz' 2024-10-21T14:50:07,926 adding 'scm/plams/unit_tests/xyz/CO_6_3.xyz' 2024-10-21T14:50:07,927 adding 'scm/plams/unit_tests/xyz/CO_6_4.xyz' 2024-10-21T14:50:07,928 adding 'scm/plams/unit_tests/xyz/CO_6_5.xyz' 2024-10-21T14:50:07,930 adding 'scm/plams/unit_tests/xyz/CO_flat4_1.xyz' 2024-10-21T14:50:07,931 adding 'scm/plams/unit_tests/xyz/CO_flat4_2.xyz' 2024-10-21T14:50:07,932 adding 'scm/plams/unit_tests/xyz/CO_flat4_3.xyz' 2024-10-21T14:50:07,933 adding 'scm/plams/unit_tests/xyz/CO_flat4_4.xyz' 2024-10-21T14:50:07,934 adding 'scm/plams/unit_tests/xyz/EZ1.xyz' 2024-10-21T14:50:07,935 adding 'scm/plams/unit_tests/xyz/EZ2.xyz' 2024-10-21T14:50:07,937 adding 'scm/plams/unit_tests/xyz/RS1.xyz' 2024-10-21T14:50:07,938 adding 'scm/plams/unit_tests/xyz/RS2.xyz' 2024-10-21T14:50:07,939 adding 'scm/plams/unit_tests/xyz/benzene.xyz' 2024-10-21T14:50:07,941 adding 'scm/plams/unit_tests/xyz/chlorophyl1.xyz' 2024-10-21T14:50:07,942 adding 'scm/plams/unit_tests/xyz/chlorophyl2.xyz' 2024-10-21T14:50:07,944 adding 'scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz' 2024-10-21T14:50:07,945 adding 'plams-2024.104.dist-info/LICENSE.md' 2024-10-21T14:50:07,946 adding 'plams-2024.104.dist-info/METADATA' 2024-10-21T14:50:07,947 adding 'plams-2024.104.dist-info/WHEEL' 2024-10-21T14:50:07,948 adding 'plams-2024.104.dist-info/top_level.txt' 2024-10-21T14:50:07,951 adding 'plams-2024.104.dist-info/RECORD' 2024-10-21T14:50:07,959 removing build/bdist.linux-armv7l/wheel 2024-10-21T14:50:08,113 Building wheel for plams (setup.py): finished with status 'done' 2024-10-21T14:50:08,120 Created wheel for plams: filename=plams-2024.104-py3-none-any.whl size=474845 sha256=82edea31d74f7b7c8f9c10f499470bf0989331b27e70dbe03a630b7d4ae55494 2024-10-21T14:50:08,121 Stored in directory: /tmp/pip-ephem-wheel-cache-5xhvit6x/wheels/7e/39/a6/dc74649a4505c3bebfd797b5b9461d54b26ae647c633894fb9 2024-10-21T14:50:08,137 Successfully built plams 2024-10-21T14:50:08,157 Removed build tracker: '/tmp/pip-build-tracker-qxlpsub5'