2024-10-14T17:15:50,281 Created temporary directory: /tmp/pip-build-tracker-61t_1kd3 2024-10-14T17:15:50,282 Initialized build tracking at /tmp/pip-build-tracker-61t_1kd3 2024-10-14T17:15:50,283 Created build tracker: /tmp/pip-build-tracker-61t_1kd3 2024-10-14T17:15:50,283 Entered build tracker: /tmp/pip-build-tracker-61t_1kd3 2024-10-14T17:15:50,284 Created temporary directory: /tmp/pip-wheel-ryjd8_80 2024-10-14T17:15:50,288 Created temporary directory: /tmp/pip-ephem-wheel-cache-6q3crxet 2024-10-14T17:15:50,332 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-10-14T17:15:50,335 2 location(s) to search for versions of plams: 2024-10-14T17:15:50,335 * https://pypi.org/simple/plams/ 2024-10-14T17:15:50,335 * https://www.piwheels.org/simple/plams/ 2024-10-14T17:15:50,336 Fetching project page and analyzing links: https://pypi.org/simple/plams/ 2024-10-14T17:15:50,337 Getting page https://pypi.org/simple/plams/ 2024-10-14T17:15:50,338 Found index url https://pypi.org/simple/ 2024-10-14T17:15:50,482 Fetched page https://pypi.org/simple/plams/ as application/vnd.pypi.simple.v1+json 2024-10-14T17:15:50,485 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/) 2024-10-14T17:15:50,486 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 2024-10-14T17:15:50,487 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) 2024-10-14T17:15:50,488 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 2024-10-14T17:15:50,488 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) 2024-10-14T17:15:50,490 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 2024-10-14T17:15:50,490 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) 2024-10-14T17:15:50,492 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 2024-10-14T17:15:50,492 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) 2024-10-14T17:15:50,494 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 2024-10-14T17:15:50,494 Fetching project page and analyzing links: https://www.piwheels.org/simple/plams/ 2024-10-14T17:15:50,495 Getting page https://www.piwheels.org/simple/plams/ 2024-10-14T17:15:50,497 Found index url https://www.piwheels.org/simple/ 2024-10-14T17:15:50,664 Fetched page https://www.piwheels.org/simple/plams/ as text/html 2024-10-14T17:15:50,667 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) 2024-10-14T17:15:50,668 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) 2024-10-14T17:15:50,668 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) 2024-10-14T17:15:50,669 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/) 2024-10-14T17:15:50,669 Skipping link: not a file: https://www.piwheels.org/simple/plams/ 2024-10-14T17:15:50,670 Skipping link: not a file: https://pypi.org/simple/plams/ 2024-10-14T17:15:50,689 Given no hashes to check 1 links for project 'plams': discarding no candidates 2024-10-14T17:15:50,692 Collecting plams==2024.103 2024-10-14T17:15:50,694 Created temporary directory: /tmp/pip-unpack-lojaa2xt 2024-10-14T17:15:50,915 Downloading plams-2024.103.tar.gz (401 kB) 2024-10-14T17:15:51,393 Added plams==2024.103 from https://files.pythonhosted.org/packages/a1/3a/b51d6573ed7452fedb946cdcea60fd09db9053abef5db3d5916557638d81/plams-2024.103.tar.gz to build tracker '/tmp/pip-build-tracker-61t_1kd3' 2024-10-14T17:15:51,394 Running setup.py (path:/tmp/pip-wheel-ryjd8_80/plams_82868e2bc8794662ae9d2b552e57ddaf/setup.py) egg_info for package plams 2024-10-14T17:15:51,395 Created temporary directory: /tmp/pip-pip-egg-info-l33_a4qa 2024-10-14T17:15:51,396 Preparing metadata (setup.py): started 2024-10-14T17:15:51,397 Running command python setup.py egg_info 2024-10-14T17:15:52,511 running egg_info 2024-10-14T17:15:52,513 creating /tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info 2024-10-14T17:15:52,540 writing /tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/PKG-INFO 2024-10-14T17:15:52,545 writing dependency_links to /tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/dependency_links.txt 2024-10-14T17:15:52,548 writing requirements to /tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/requires.txt 2024-10-14T17:15:52,550 writing top-level names to /tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/top_level.txt 2024-10-14T17:15:52,551 writing manifest file '/tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/SOURCES.txt' 2024-10-14T17:15:52,694 reading manifest file '/tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/SOURCES.txt' 2024-10-14T17:15:52,696 adding license file 'LICENSE.md' 2024-10-14T17:15:52,703 writing manifest file '/tmp/pip-pip-egg-info-l33_a4qa/plams.egg-info/SOURCES.txt' 2024-10-14T17:15:52,812 Preparing metadata (setup.py): finished with status 'done' 2024-10-14T17:15:52,816 Source in /tmp/pip-wheel-ryjd8_80/plams_82868e2bc8794662ae9d2b552e57ddaf has version 2024.103, which satisfies requirement plams==2024.103 from https://files.pythonhosted.org/packages/a1/3a/b51d6573ed7452fedb946cdcea60fd09db9053abef5db3d5916557638d81/plams-2024.103.tar.gz 2024-10-14T17:15:52,817 Removed plams==2024.103 from https://files.pythonhosted.org/packages/a1/3a/b51d6573ed7452fedb946cdcea60fd09db9053abef5db3d5916557638d81/plams-2024.103.tar.gz from build tracker '/tmp/pip-build-tracker-61t_1kd3' 2024-10-14T17:15:52,824 Created temporary directory: /tmp/pip-unpack-trol8m5u 2024-10-14T17:15:52,826 Created temporary directory: /tmp/pip-unpack-whv6k2ym 2024-10-14T17:15:52,826 Building wheels for collected packages: plams 2024-10-14T17:15:52,831 Created temporary directory: /tmp/pip-wheel-cr2gytyk 2024-10-14T17:15:52,831 Building wheel for plams (setup.py): started 2024-10-14T17:15:52,832 Destination directory: /tmp/pip-wheel-cr2gytyk 2024-10-14T17:15:52,833 Running command python setup.py bdist_wheel 2024-10-14T17:15:53,875 running bdist_wheel 2024-10-14T17:15:54,007 running build 2024-10-14T17:15:54,008 running build_py 2024-10-14T17:15:54,040 creating build/lib/scm/plams 2024-10-14T17:15:54,043 copying ./__init__.py -> build/lib/scm/plams 2024-10-14T17:15:54,046 copying ./version.py -> build/lib/scm/plams 2024-10-14T17:15:54,048 creating build/lib/scm/plams/core 2024-10-14T17:15:54,050 copying ./core/private.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,052 copying ./core/results.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,054 copying ./core/__init__.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,056 copying ./core/basejob.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,059 copying ./core/functions.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,061 copying ./core/jobmanager.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,063 copying ./core/errors.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,065 copying ./core/jobrunner.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,067 copying ./core/settings.py -> build/lib/scm/plams/core 2024-10-14T17:15:54,070 creating build/lib/scm/plams/interfaces 2024-10-14T17:15:54,072 copying ./interfaces/__init__.py -> build/lib/scm/plams/interfaces 2024-10-14T17:15:54,074 creating build/lib/scm/plams/recipes 2024-10-14T17:15:54,075 copying ./recipes/adffragment.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,077 copying ./recipes/redox_defaults.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,079 copying ./recipes/fcf_dos.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,081 copying ./recipes/__init__.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,082 copying ./recipes/reorganization_energy.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,084 copying ./recipes/adfcosmorsconformers.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,087 copying ./recipes/adfnbo.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,089 copying ./recipes/numhess.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,091 copying ./recipes/cshadf.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,093 copying ./recipes/adfcosmorscompound.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,096 copying ./recipes/numgrad.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,098 copying ./recipes/ams_crs.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,101 copying ./recipes/ox_potential.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,103 copying ./recipes/redox.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,106 copying ./recipes/redox_potential.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,108 copying ./recipes/global_minimum.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,110 copying ./recipes/counterpoise.py -> build/lib/scm/plams/recipes 2024-10-14T17:15:54,114 creating build/lib/scm/plams/trajectories 2024-10-14T17:15:54,115 copying ./trajectories/sdffile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,117 copying ./trajectories/dcdfile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,120 copying ./trajectories/sdfhistoryfile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,122 copying ./trajectories/analysis.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,124 copying ./trajectories/__init__.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,126 copying ./trajectories/xyzfile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,128 copying ./trajectories/rkffile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,131 copying ./trajectories/xyzhistoryfile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,134 copying ./trajectories/trajectory.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,137 copying ./trajectories/rkfhistoryfile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,140 copying ./trajectories/trajectoryfile.py -> build/lib/scm/plams/trajectories 2024-10-14T17:15:54,144 creating build/lib/scm/plams/mol 2024-10-14T17:15:54,145 copying ./mol/identify.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,148 copying ./mol/__init__.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,149 copying ./mol/molecule.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,154 copying ./mol/context.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,156 copying ./mol/pdbtools.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,158 copying ./mol/bond.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,160 copying ./mol/atom.py -> build/lib/scm/plams/mol 2024-10-14T17:15:54,163 creating build/lib/scm/plams/tools 2024-10-14T17:15:54,164 copying ./tools/reaction_energies.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,166 copying ./tools/__init__.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,168 copying ./tools/postprocess_results.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,170 copying ./tools/converters.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,172 copying ./tools/units.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,174 copying ./tools/periodic_table.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,177 copying ./tools/plot.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,179 copying ./tools/geometry.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,181 copying ./tools/kftools.py -> build/lib/scm/plams/tools 2024-10-14T17:15:54,185 creating build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,186 copying ./unit_tests/test_version.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,188 copying ./unit_tests/test_identify_CO_6.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,190 copying ./unit_tests/test_identify_CO_flat4.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,191 copying ./unit_tests/test_amsjob.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,193 copying ./unit_tests/__init__.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,195 copying ./unit_tests/test_identify_basic.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,196 copying ./unit_tests/test_molecule.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,199 copying ./unit_tests/test_helpers.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,201 copying ./unit_tests/test_identify_EZ.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,202 copying ./unit_tests/test_smiles.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,205 copying ./unit_tests/test_inputparser.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,209 copying ./unit_tests/test_ASECalculator.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,211 copying ./unit_tests/test_identify_RS.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,213 copying ./unit_tests/test_interfaces.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,215 copying ./unit_tests/conftest.py -> build/lib/scm/plams/unit_tests 2024-10-14T17:15:54,217 creating build/lib/scm/plams/interfaces/molecule 2024-10-14T17:15:54,219 copying ./interfaces/molecule/__init__.py -> build/lib/scm/plams/interfaces/molecule 2024-10-14T17:15:54,220 copying ./interfaces/molecule/packmol.py -> build/lib/scm/plams/interfaces/molecule 2024-10-14T17:15:54,223 copying ./interfaces/molecule/ase.py -> build/lib/scm/plams/interfaces/molecule 2024-10-14T17:15:54,225 copying ./interfaces/molecule/rdkit.py -> build/lib/scm/plams/interfaces/molecule 2024-10-14T17:15:54,229 creating build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,230 copying ./interfaces/thirdparty/crystal.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,232 copying ./interfaces/thirdparty/orca.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,235 copying ./interfaces/thirdparty/__init__.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,236 copying ./interfaces/thirdparty/vasp.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,239 copying ./interfaces/thirdparty/raspa.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,241 copying ./interfaces/thirdparty/dftbplus.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,243 copying ./interfaces/thirdparty/dirac.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,246 copying ./interfaces/thirdparty/gamess.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,248 copying ./interfaces/thirdparty/cp2k.py -> build/lib/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,251 creating build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,252 copying ./interfaces/adfsuite/ase_calculator.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,255 copying ./interfaces/adfsuite/amsworker.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,258 copying ./interfaces/adfsuite/uff.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,260 copying ./interfaces/adfsuite/reaxff.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,263 copying ./interfaces/adfsuite/band.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,265 copying ./interfaces/adfsuite/quickjobs.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,267 copying ./interfaces/adfsuite/crs.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,270 copying ./interfaces/adfsuite/scmjob.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,273 copying ./interfaces/adfsuite/__init__.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,274 copying ./interfaces/adfsuite/fcf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,276 copying ./interfaces/adfsuite/mopac.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,279 copying ./interfaces/adfsuite/unifac.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,281 copying ./interfaces/adfsuite/densf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,283 copying ./interfaces/adfsuite/adf.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,285 copying ./interfaces/adfsuite/ams.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,290 copying ./interfaces/adfsuite/inputparser.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,292 copying ./interfaces/adfsuite/forcefieldparams.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,295 copying ./interfaces/adfsuite/amsanalysis.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,297 copying ./interfaces/adfsuite/dftb.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,299 copying ./interfaces/adfsuite/amspipeerror.py -> build/lib/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,302 creating build/lib/scm/plams/recipes/ts 2024-10-14T17:15:54,303 copying ./recipes/ts/__init__.py -> build/lib/scm/plams/recipes/ts 2024-10-14T17:15:54,304 copying ./recipes/ts/reaction_boost_workflow.py -> build/lib/scm/plams/recipes/ts 2024-10-14T17:15:54,308 creating build/lib/scm/plams/recipes/pestools 2024-10-14T17:15:54,309 copying ./recipes/pestools/__init__.py -> build/lib/scm/plams/recipes/pestools 2024-10-14T17:15:54,311 copying ./recipes/pestools/optimizer.py -> build/lib/scm/plams/recipes/pestools 2024-10-14T17:15:54,314 creating build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,315 copying ./recipes/md/__init__.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,317 copying ./recipes/md/amsmdjob.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,320 copying ./recipes/md/nvespawner.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,322 copying ./recipes/md/equilibratedensity.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,325 copying ./recipes/md/trajectoryanalysis.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,328 copying ./recipes/md/movingrestraints.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,331 copying ./recipes/md/scandensity.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,332 copying ./recipes/md/greenkuboviscosity.py -> build/lib/scm/plams/recipes/md 2024-10-14T17:15:54,347 copying ./.flake8 -> build/lib/scm/plams 2024-10-14T17:15:54,349 copying ./plams_defaults -> build/lib/scm/plams 2024-10-14T17:15:54,352 creating build/lib/scm/plams/examples 2024-10-14T17:15:54,353 copying ./examples/BAND_NiO_HubbardU.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,355 copying ./examples/get_water_indices.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,357 copying ./examples/WaterOptimization.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,360 copying ./examples/ReorganizationEnergy.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,362 copying ./examples/ConvertToAMSRKFTrajectory.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,364 copying ./examples/MoleculesFromRKFTrajectory.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,366 copying ./examples/AMSMDJob.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,368 copying ./examples/AMSPlumedMD.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,370 copying ./examples/SellaTransitionStateSearch.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,372 copying ./examples/UseLowestEnergy.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,375 copying ./examples/ExcitationsWorkflow.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,377 copying ./examples/ChargeTransferIntegralsADF.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,379 copying ./examples/get_ionic_conductivity.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,382 copying ./examples/MoleculesTable.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,385 copying ./examples/ASECalculator.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,387 copying ./examples/ConformersGeneration.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,389 copying ./examples/BasicMDPostanalysis.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,391 copying ./examples/get_hbonds.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,394 copying ./examples/PackMol.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,396 copying ./examples/PropertyPrediction.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,398 copying ./examples/ams_crs.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,400 copying ./examples/CustomASECalculator.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,402 copying ./examples/BasisSetBenchmark.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,405 copying ./examples/MoleculeSubstitution.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,407 copying ./examples/molecules_ReactionEnergyBenchmark.zip -> build/lib/scm/plams/examples 2024-10-14T17:15:54,409 copying ./examples/get_charged_ions.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,412 copying ./examples/ReductionOxidationPotentials.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,414 copying ./examples/TuningRangeSeparation.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,416 copying ./examples/ir_spectrum_from_md.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,419 copying ./examples/He2DissociationCurve.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,421 copying ./examples/M3GNet.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,423 copying ./examples/reuse_forcefieldparams.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,425 copying ./examples/get_irspectrum.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,428 copying ./examples/QE_AMS_AFM_HubbardU.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,430 copying ./examples/plot_correlation.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,433 copying ./examples/ManyJobsInParallel.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,435 copying ./examples/ReactionEnergyBenchmark.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,437 copying ./examples/rkf_to_wrapped_dcd.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,439 copying ./examples/xrd.py -> build/lib/scm/plams/examples 2024-10-14T17:15:54,449 creating build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,450 copying ./unit_tests/xyz/CO_6_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,452 copying ./unit_tests/xyz/RS1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,454 copying ./unit_tests/xyz/benzene.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,456 copying ./unit_tests/xyz/chlorophyl1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,459 copying ./unit_tests/xyz/CO_flat4_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,461 copying ./unit_tests/xyz/RS2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,463 copying ./unit_tests/xyz/CO_6_5.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,465 copying ./unit_tests/xyz/CO_flat4_3.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,467 copying ./unit_tests/xyz/EZ1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,469 copying ./unit_tests/xyz/CO_6_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,471 copying ./unit_tests/xyz/CO_flat4_4.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,474 copying ./unit_tests/xyz/CO_6_1.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,476 copying ./unit_tests/xyz/chlorophyl2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,478 copying ./unit_tests/xyz/CO_flat4_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,480 copying ./unit_tests/xyz/EZ2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,482 copying ./unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,484 copying ./unit_tests/xyz/CO_6_2.xyz -> build/lib/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,494 running build_scripts 2024-10-14T17:15:54,495 creating build/scripts-3.11 2024-10-14T17:15:54,496 copying and adjusting scripts/plams -> build/scripts-3.11 2024-10-14T17:15:54,498 changing mode of build/scripts-3.11/plams from 644 to 755 2024-10-14T17:15:54,525 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2024-10-14T17:15:54,525 !! 2024-10-14T17:15:54,527 ******************************************************************************** 2024-10-14T17:15:54,527 Please avoid running ``setup.py`` directly. 2024-10-14T17:15:54,528 Instead, use pypa/build, pypa/installer or other 2024-10-14T17:15:54,528 standards-based tools. 2024-10-14T17:15:54,530 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2024-10-14T17:15:54,530 ******************************************************************************** 2024-10-14T17:15:54,532 !! 2024-10-14T17:15:54,532 self.initialize_options() 2024-10-14T17:15:54,554 installing to build/bdist.linux-armv7l/wheel 2024-10-14T17:15:54,554 running install 2024-10-14T17:15:54,579 running install_lib 2024-10-14T17:15:54,606 creating build/bdist.linux-armv7l/wheel 2024-10-14T17:15:54,609 creating build/bdist.linux-armv7l/wheel/scm 2024-10-14T17:15:54,610 creating build/bdist.linux-armv7l/wheel/scm/plams 2024-10-14T17:15:54,612 creating build/bdist.linux-armv7l/wheel/scm/plams/core 2024-10-14T17:15:54,614 copying build/lib/scm/plams/core/private.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,616 copying build/lib/scm/plams/core/results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,619 copying build/lib/scm/plams/core/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,620 copying build/lib/scm/plams/core/basejob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,623 copying build/lib/scm/plams/core/functions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,625 copying build/lib/scm/plams/core/jobmanager.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,628 copying build/lib/scm/plams/core/errors.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,630 copying build/lib/scm/plams/core/jobrunner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,632 copying build/lib/scm/plams/core/settings.py -> build/bdist.linux-armv7l/wheel/./scm/plams/core 2024-10-14T17:15:54,635 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces 2024-10-14T17:15:54,637 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/molecule 2024-10-14T17:15:54,638 copying build/lib/scm/plams/interfaces/molecule/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-14T17:15:54,640 copying build/lib/scm/plams/interfaces/molecule/packmol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-14T17:15:54,642 copying build/lib/scm/plams/interfaces/molecule/ase.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-14T17:15:54,645 copying build/lib/scm/plams/interfaces/molecule/rdkit.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/molecule 2024-10-14T17:15:54,648 copying build/lib/scm/plams/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces 2024-10-14T17:15:54,650 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,651 copying build/lib/scm/plams/interfaces/thirdparty/crystal.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,654 copying build/lib/scm/plams/interfaces/thirdparty/orca.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,657 copying build/lib/scm/plams/interfaces/thirdparty/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,658 copying build/lib/scm/plams/interfaces/thirdparty/vasp.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,661 copying build/lib/scm/plams/interfaces/thirdparty/raspa.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,663 copying build/lib/scm/plams/interfaces/thirdparty/dftbplus.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,665 copying build/lib/scm/plams/interfaces/thirdparty/dirac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,667 copying build/lib/scm/plams/interfaces/thirdparty/gamess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,669 copying build/lib/scm/plams/interfaces/thirdparty/cp2k.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/thirdparty 2024-10-14T17:15:54,673 creating build/bdist.linux-armv7l/wheel/scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,674 copying build/lib/scm/plams/interfaces/adfsuite/ase_calculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,676 copying build/lib/scm/plams/interfaces/adfsuite/amsworker.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,679 copying build/lib/scm/plams/interfaces/adfsuite/uff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,681 copying build/lib/scm/plams/interfaces/adfsuite/reaxff.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,684 copying build/lib/scm/plams/interfaces/adfsuite/band.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,686 copying build/lib/scm/plams/interfaces/adfsuite/quickjobs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,688 copying build/lib/scm/plams/interfaces/adfsuite/crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,691 copying build/lib/scm/plams/interfaces/adfsuite/scmjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,693 copying build/lib/scm/plams/interfaces/adfsuite/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,695 copying build/lib/scm/plams/interfaces/adfsuite/fcf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,697 copying build/lib/scm/plams/interfaces/adfsuite/mopac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,699 copying build/lib/scm/plams/interfaces/adfsuite/unifac.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,701 copying build/lib/scm/plams/interfaces/adfsuite/densf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,703 copying build/lib/scm/plams/interfaces/adfsuite/adf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,705 copying build/lib/scm/plams/interfaces/adfsuite/ams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,709 copying build/lib/scm/plams/interfaces/adfsuite/inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,711 copying build/lib/scm/plams/interfaces/adfsuite/forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,714 copying build/lib/scm/plams/interfaces/adfsuite/amsanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,716 copying build/lib/scm/plams/interfaces/adfsuite/dftb.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,718 copying build/lib/scm/plams/interfaces/adfsuite/amspipeerror.py -> build/bdist.linux-armv7l/wheel/./scm/plams/interfaces/adfsuite 2024-10-14T17:15:54,721 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes 2024-10-14T17:15:54,723 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/ts 2024-10-14T17:15:54,724 copying build/lib/scm/plams/recipes/ts/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2024-10-14T17:15:54,726 copying build/lib/scm/plams/recipes/ts/reaction_boost_workflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/ts 2024-10-14T17:15:54,728 copying build/lib/scm/plams/recipes/adffragment.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,731 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/pestools 2024-10-14T17:15:54,732 copying build/lib/scm/plams/recipes/pestools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2024-10-14T17:15:54,734 copying build/lib/scm/plams/recipes/pestools/optimizer.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/pestools 2024-10-14T17:15:54,736 copying build/lib/scm/plams/recipes/redox_defaults.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,738 copying build/lib/scm/plams/recipes/fcf_dos.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,740 copying build/lib/scm/plams/recipes/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,742 copying build/lib/scm/plams/recipes/reorganization_energy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,744 copying build/lib/scm/plams/recipes/adfcosmorsconformers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,746 copying build/lib/scm/plams/recipes/adfnbo.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,748 copying build/lib/scm/plams/recipes/numhess.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,750 copying build/lib/scm/plams/recipes/cshadf.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,752 copying build/lib/scm/plams/recipes/adfcosmorscompound.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,755 copying build/lib/scm/plams/recipes/numgrad.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,756 copying build/lib/scm/plams/recipes/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,759 copying build/lib/scm/plams/recipes/ox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,762 copying build/lib/scm/plams/recipes/redox.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,765 copying build/lib/scm/plams/recipes/redox_potential.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,767 copying build/lib/scm/plams/recipes/global_minimum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,769 copying build/lib/scm/plams/recipes/counterpoise.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes 2024-10-14T17:15:54,772 creating build/bdist.linux-armv7l/wheel/scm/plams/recipes/md 2024-10-14T17:15:54,773 copying build/lib/scm/plams/recipes/md/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,774 copying build/lib/scm/plams/recipes/md/amsmdjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,777 copying build/lib/scm/plams/recipes/md/nvespawner.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,779 copying build/lib/scm/plams/recipes/md/equilibratedensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,781 copying build/lib/scm/plams/recipes/md/trajectoryanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,783 copying build/lib/scm/plams/recipes/md/movingrestraints.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,786 copying build/lib/scm/plams/recipes/md/scandensity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,788 copying build/lib/scm/plams/recipes/md/greenkuboviscosity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/recipes/md 2024-10-14T17:15:54,791 copying build/lib/scm/plams/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-14T17:15:54,793 copying build/lib/scm/plams/version.py -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-14T17:15:54,795 copying build/lib/scm/plams/plams_defaults -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-14T17:15:54,798 creating build/bdist.linux-armv7l/wheel/scm/plams/trajectories 2024-10-14T17:15:54,799 copying build/lib/scm/plams/trajectories/sdffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,801 copying build/lib/scm/plams/trajectories/dcdfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,804 copying build/lib/scm/plams/trajectories/sdfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,806 copying build/lib/scm/plams/trajectories/analysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,808 copying build/lib/scm/plams/trajectories/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,809 copying build/lib/scm/plams/trajectories/xyzfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,812 copying build/lib/scm/plams/trajectories/rkffile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,815 copying build/lib/scm/plams/trajectories/xyzhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,817 copying build/lib/scm/plams/trajectories/trajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,819 copying build/lib/scm/plams/trajectories/rkfhistoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,822 copying build/lib/scm/plams/trajectories/trajectoryfile.py -> build/bdist.linux-armv7l/wheel/./scm/plams/trajectories 2024-10-14T17:15:54,825 creating build/bdist.linux-armv7l/wheel/scm/plams/mol 2024-10-14T17:15:54,826 copying build/lib/scm/plams/mol/identify.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,829 copying build/lib/scm/plams/mol/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,831 copying build/lib/scm/plams/mol/molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,837 copying build/lib/scm/plams/mol/context.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,839 copying build/lib/scm/plams/mol/pdbtools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,841 copying build/lib/scm/plams/mol/bond.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,843 copying build/lib/scm/plams/mol/atom.py -> build/bdist.linux-armv7l/wheel/./scm/plams/mol 2024-10-14T17:15:54,846 creating build/bdist.linux-armv7l/wheel/scm/plams/tools 2024-10-14T17:15:54,847 copying build/lib/scm/plams/tools/reaction_energies.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,849 copying build/lib/scm/plams/tools/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,850 copying build/lib/scm/plams/tools/postprocess_results.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,852 copying build/lib/scm/plams/tools/converters.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,854 copying build/lib/scm/plams/tools/units.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,857 copying build/lib/scm/plams/tools/periodic_table.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,859 copying build/lib/scm/plams/tools/plot.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,861 copying build/lib/scm/plams/tools/geometry.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,864 copying build/lib/scm/plams/tools/kftools.py -> build/bdist.linux-armv7l/wheel/./scm/plams/tools 2024-10-14T17:15:54,867 creating build/bdist.linux-armv7l/wheel/scm/plams/examples 2024-10-14T17:15:54,869 copying build/lib/scm/plams/examples/BAND_NiO_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,871 copying build/lib/scm/plams/examples/get_water_indices.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,872 copying build/lib/scm/plams/examples/WaterOptimization.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,875 copying build/lib/scm/plams/examples/ReorganizationEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,876 copying build/lib/scm/plams/examples/ConvertToAMSRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,878 copying build/lib/scm/plams/examples/MoleculesFromRKFTrajectory.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,880 copying build/lib/scm/plams/examples/AMSMDJob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,882 copying build/lib/scm/plams/examples/AMSPlumedMD.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,884 copying build/lib/scm/plams/examples/SellaTransitionStateSearch.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,886 copying build/lib/scm/plams/examples/UseLowestEnergy.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,888 copying build/lib/scm/plams/examples/ExcitationsWorkflow.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,890 copying build/lib/scm/plams/examples/ChargeTransferIntegralsADF.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,892 copying build/lib/scm/plams/examples/get_ionic_conductivity.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,894 copying build/lib/scm/plams/examples/MoleculesTable.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,897 copying build/lib/scm/plams/examples/ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,899 copying build/lib/scm/plams/examples/ConformersGeneration.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,901 copying build/lib/scm/plams/examples/BasicMDPostanalysis.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,903 copying build/lib/scm/plams/examples/get_hbonds.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,904 copying build/lib/scm/plams/examples/PackMol.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,907 copying build/lib/scm/plams/examples/PropertyPrediction.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,909 copying build/lib/scm/plams/examples/ams_crs.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,911 copying build/lib/scm/plams/examples/CustomASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,913 copying build/lib/scm/plams/examples/BasisSetBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,915 copying build/lib/scm/plams/examples/MoleculeSubstitution.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,917 copying build/lib/scm/plams/examples/molecules_ReactionEnergyBenchmark.zip -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,919 copying build/lib/scm/plams/examples/get_charged_ions.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,921 copying build/lib/scm/plams/examples/ReductionOxidationPotentials.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,923 copying build/lib/scm/plams/examples/TuningRangeSeparation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,925 copying build/lib/scm/plams/examples/ir_spectrum_from_md.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,928 copying build/lib/scm/plams/examples/He2DissociationCurve.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,930 copying build/lib/scm/plams/examples/M3GNet.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,931 copying build/lib/scm/plams/examples/reuse_forcefieldparams.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,933 copying build/lib/scm/plams/examples/get_irspectrum.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,935 copying build/lib/scm/plams/examples/QE_AMS_AFM_HubbardU.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,937 copying build/lib/scm/plams/examples/plot_correlation.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,939 copying build/lib/scm/plams/examples/ManyJobsInParallel.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,941 copying build/lib/scm/plams/examples/ReactionEnergyBenchmark.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,943 copying build/lib/scm/plams/examples/rkf_to_wrapped_dcd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,945 copying build/lib/scm/plams/examples/xrd.py -> build/bdist.linux-armv7l/wheel/./scm/plams/examples 2024-10-14T17:15:54,947 copying build/lib/scm/plams/.flake8 -> build/bdist.linux-armv7l/wheel/./scm/plams 2024-10-14T17:15:54,949 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests 2024-10-14T17:15:54,950 copying build/lib/scm/plams/unit_tests/test_version.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,952 copying build/lib/scm/plams/unit_tests/test_identify_CO_6.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,954 copying build/lib/scm/plams/unit_tests/test_identify_CO_flat4.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,956 copying build/lib/scm/plams/unit_tests/test_amsjob.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,958 copying build/lib/scm/plams/unit_tests/__init__.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,960 copying build/lib/scm/plams/unit_tests/test_identify_basic.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,962 copying build/lib/scm/plams/unit_tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,965 copying build/lib/scm/plams/unit_tests/test_helpers.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,967 copying build/lib/scm/plams/unit_tests/test_identify_EZ.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,969 copying build/lib/scm/plams/unit_tests/test_smiles.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,971 copying build/lib/scm/plams/unit_tests/test_inputparser.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:54,974 creating build/bdist.linux-armv7l/wheel/scm/plams/unit_tests/xyz 2024-10-14T17:15:54,976 copying build/lib/scm/plams/unit_tests/xyz/CO_6_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,978 copying build/lib/scm/plams/unit_tests/xyz/RS1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,979 copying build/lib/scm/plams/unit_tests/xyz/benzene.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,981 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,983 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,985 copying build/lib/scm/plams/unit_tests/xyz/RS2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,987 copying build/lib/scm/plams/unit_tests/xyz/CO_6_5.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,989 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_3.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,991 copying build/lib/scm/plams/unit_tests/xyz/EZ1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,993 copying build/lib/scm/plams/unit_tests/xyz/CO_6_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,995 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_4.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,997 copying build/lib/scm/plams/unit_tests/xyz/CO_6_1.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:54,998 copying build/lib/scm/plams/unit_tests/xyz/chlorophyl2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:55,001 copying build/lib/scm/plams/unit_tests/xyz/CO_flat4_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:55,003 copying build/lib/scm/plams/unit_tests/xyz/EZ2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:55,005 copying build/lib/scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:55,007 copying build/lib/scm/plams/unit_tests/xyz/CO_6_2.xyz -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests/xyz 2024-10-14T17:15:55,008 copying build/lib/scm/plams/unit_tests/test_ASECalculator.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:55,010 copying build/lib/scm/plams/unit_tests/test_identify_RS.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:55,012 copying build/lib/scm/plams/unit_tests/test_interfaces.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:55,014 copying build/lib/scm/plams/unit_tests/conftest.py -> build/bdist.linux-armv7l/wheel/./scm/plams/unit_tests 2024-10-14T17:15:55,016 running install_egg_info 2024-10-14T17:15:55,063 running egg_info 2024-10-14T17:15:55,104 writing plams.egg-info/PKG-INFO 2024-10-14T17:15:55,111 writing dependency_links to plams.egg-info/dependency_links.txt 2024-10-14T17:15:55,115 writing requirements to plams.egg-info/requires.txt 2024-10-14T17:15:55,117 writing top-level names to plams.egg-info/top_level.txt 2024-10-14T17:15:55,172 reading manifest file 'plams.egg-info/SOURCES.txt' 2024-10-14T17:15:55,182 adding license file 'LICENSE.md' 2024-10-14T17:15:55,195 writing manifest file 'plams.egg-info/SOURCES.txt' 2024-10-14T17:15:55,196 Copying plams.egg-info to build/bdist.linux-armv7l/wheel/./plams-2024.103-py3.11.egg-info 2024-10-14T17:15:55,207 running install_scripts 2024-10-14T17:15:55,208 creating build/bdist.linux-armv7l/wheel/plams-2024.103.data/scripts 2024-10-14T17:15:55,209 copying build/scripts-3.11/plams -> build/bdist.linux-armv7l/wheel/plams-2024.103.data/scripts 2024-10-14T17:15:55,211 changing mode of build/bdist.linux-armv7l/wheel/plams-2024.103.data/scripts/plams to 755 2024-10-14T17:15:55,226 creating build/bdist.linux-armv7l/wheel/plams-2024.103.dist-info/WHEEL 2024-10-14T17:15:55,228 creating '/tmp/pip-wheel-cr2gytyk/plams-2024.103-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-10-14T17:15:55,231 adding 'plams-2024.103.data/scripts/plams' 2024-10-14T17:15:55,234 adding 'scm/plams/.flake8' 2024-10-14T17:15:55,236 adding 'scm/plams/__init__.py' 2024-10-14T17:15:55,237 adding 'scm/plams/plams_defaults' 2024-10-14T17:15:55,239 adding 'scm/plams/version.py' 2024-10-14T17:15:55,240 adding 'scm/plams/core/__init__.py' 2024-10-14T17:15:55,245 adding 'scm/plams/core/basejob.py' 2024-10-14T17:15:55,246 adding 'scm/plams/core/errors.py' 2024-10-14T17:15:55,249 adding 'scm/plams/core/functions.py' 2024-10-14T17:15:55,251 adding 'scm/plams/core/jobmanager.py' 2024-10-14T17:15:55,254 adding 'scm/plams/core/jobrunner.py' 2024-10-14T17:15:55,256 adding 'scm/plams/core/private.py' 2024-10-14T17:15:55,259 adding 'scm/plams/core/results.py' 2024-10-14T17:15:55,261 adding 'scm/plams/core/settings.py' 2024-10-14T17:15:55,263 adding 'scm/plams/examples/AMSMDJob.py' 2024-10-14T17:15:55,265 adding 'scm/plams/examples/AMSPlumedMD.py' 2024-10-14T17:15:55,266 adding 'scm/plams/examples/ASECalculator.py' 2024-10-14T17:15:55,267 adding 'scm/plams/examples/BAND_NiO_HubbardU.py' 2024-10-14T17:15:55,269 adding 'scm/plams/examples/BasicMDPostanalysis.py' 2024-10-14T17:15:55,270 adding 'scm/plams/examples/BasisSetBenchmark.py' 2024-10-14T17:15:55,272 adding 'scm/plams/examples/ChargeTransferIntegralsADF.py' 2024-10-14T17:15:55,273 adding 'scm/plams/examples/ConformersGeneration.py' 2024-10-14T17:15:55,274 adding 'scm/plams/examples/ConvertToAMSRKFTrajectory.py' 2024-10-14T17:15:55,276 adding 'scm/plams/examples/CustomASECalculator.py' 2024-10-14T17:15:55,277 adding 'scm/plams/examples/ExcitationsWorkflow.py' 2024-10-14T17:15:55,278 adding 'scm/plams/examples/He2DissociationCurve.py' 2024-10-14T17:15:55,280 adding 'scm/plams/examples/M3GNet.py' 2024-10-14T17:15:55,281 adding 'scm/plams/examples/ManyJobsInParallel.py' 2024-10-14T17:15:55,282 adding 'scm/plams/examples/MoleculeSubstitution.py' 2024-10-14T17:15:55,284 adding 'scm/plams/examples/MoleculesFromRKFTrajectory.py' 2024-10-14T17:15:55,285 adding 'scm/plams/examples/MoleculesTable.py' 2024-10-14T17:15:55,287 adding 'scm/plams/examples/PackMol.py' 2024-10-14T17:15:55,289 adding 'scm/plams/examples/PropertyPrediction.py' 2024-10-14T17:15:55,291 adding 'scm/plams/examples/QE_AMS_AFM_HubbardU.py' 2024-10-14T17:15:55,292 adding 'scm/plams/examples/ReactionEnergyBenchmark.py' 2024-10-14T17:15:55,294 adding 'scm/plams/examples/ReductionOxidationPotentials.py' 2024-10-14T17:15:55,295 adding 'scm/plams/examples/ReorganizationEnergy.py' 2024-10-14T17:15:55,297 adding 'scm/plams/examples/SellaTransitionStateSearch.py' 2024-10-14T17:15:55,299 adding 'scm/plams/examples/TuningRangeSeparation.py' 2024-10-14T17:15:55,300 adding 'scm/plams/examples/UseLowestEnergy.py' 2024-10-14T17:15:55,302 adding 'scm/plams/examples/WaterOptimization.py' 2024-10-14T17:15:55,303 adding 'scm/plams/examples/ams_crs.py' 2024-10-14T17:15:55,305 adding 'scm/plams/examples/get_charged_ions.py' 2024-10-14T17:15:55,306 adding 'scm/plams/examples/get_hbonds.py' 2024-10-14T17:15:55,307 adding 'scm/plams/examples/get_ionic_conductivity.py' 2024-10-14T17:15:55,308 adding 'scm/plams/examples/get_irspectrum.py' 2024-10-14T17:15:55,310 adding 'scm/plams/examples/get_water_indices.py' 2024-10-14T17:15:55,311 adding 'scm/plams/examples/ir_spectrum_from_md.py' 2024-10-14T17:15:55,313 adding 'scm/plams/examples/molecules_ReactionEnergyBenchmark.zip' 2024-10-14T17:15:55,314 adding 'scm/plams/examples/plot_correlation.py' 2024-10-14T17:15:55,315 adding 'scm/plams/examples/reuse_forcefieldparams.py' 2024-10-14T17:15:55,317 adding 'scm/plams/examples/rkf_to_wrapped_dcd.py' 2024-10-14T17:15:55,318 adding 'scm/plams/examples/xrd.py' 2024-10-14T17:15:55,320 adding 'scm/plams/interfaces/__init__.py' 2024-10-14T17:15:55,321 adding 'scm/plams/interfaces/adfsuite/__init__.py' 2024-10-14T17:15:55,323 adding 'scm/plams/interfaces/adfsuite/adf.py' 2024-10-14T17:15:55,339 adding 'scm/plams/interfaces/adfsuite/ams.py' 2024-10-14T17:15:55,341 adding 'scm/plams/interfaces/adfsuite/amsanalysis.py' 2024-10-14T17:15:55,342 adding 'scm/plams/interfaces/adfsuite/amspipeerror.py' 2024-10-14T17:15:55,350 adding 'scm/plams/interfaces/adfsuite/amsworker.py' 2024-10-14T17:15:55,352 adding 'scm/plams/interfaces/adfsuite/ase_calculator.py' 2024-10-14T17:15:55,354 adding 'scm/plams/interfaces/adfsuite/band.py' 2024-10-14T17:15:55,356 adding 'scm/plams/interfaces/adfsuite/crs.py' 2024-10-14T17:15:55,357 adding 'scm/plams/interfaces/adfsuite/densf.py' 2024-10-14T17:15:55,359 adding 'scm/plams/interfaces/adfsuite/dftb.py' 2024-10-14T17:15:55,360 adding 'scm/plams/interfaces/adfsuite/fcf.py' 2024-10-14T17:15:55,362 adding 'scm/plams/interfaces/adfsuite/forcefieldparams.py' 2024-10-14T17:15:55,364 adding 'scm/plams/interfaces/adfsuite/inputparser.py' 2024-10-14T17:15:55,365 adding 'scm/plams/interfaces/adfsuite/mopac.py' 2024-10-14T17:15:55,367 adding 'scm/plams/interfaces/adfsuite/quickjobs.py' 2024-10-14T17:15:55,369 adding 'scm/plams/interfaces/adfsuite/reaxff.py' 2024-10-14T17:15:55,372 adding 'scm/plams/interfaces/adfsuite/scmjob.py' 2024-10-14T17:15:55,373 adding 'scm/plams/interfaces/adfsuite/uff.py' 2024-10-14T17:15:55,374 adding 'scm/plams/interfaces/adfsuite/unifac.py' 2024-10-14T17:15:55,376 adding 'scm/plams/interfaces/molecule/__init__.py' 2024-10-14T17:15:55,378 adding 'scm/plams/interfaces/molecule/ase.py' 2024-10-14T17:15:55,381 adding 'scm/plams/interfaces/molecule/packmol.py' 2024-10-14T17:15:55,388 adding 'scm/plams/interfaces/molecule/rdkit.py' 2024-10-14T17:15:55,390 adding 'scm/plams/interfaces/thirdparty/__init__.py' 2024-10-14T17:15:55,393 adding 'scm/plams/interfaces/thirdparty/cp2k.py' 2024-10-14T17:15:55,395 adding 'scm/plams/interfaces/thirdparty/crystal.py' 2024-10-14T17:15:55,396 adding 'scm/plams/interfaces/thirdparty/dftbplus.py' 2024-10-14T17:15:55,398 adding 'scm/plams/interfaces/thirdparty/dirac.py' 2024-10-14T17:15:55,399 adding 'scm/plams/interfaces/thirdparty/gamess.py' 2024-10-14T17:15:55,402 adding 'scm/plams/interfaces/thirdparty/orca.py' 2024-10-14T17:15:55,404 adding 'scm/plams/interfaces/thirdparty/raspa.py' 2024-10-14T17:15:55,405 adding 'scm/plams/interfaces/thirdparty/vasp.py' 2024-10-14T17:15:55,407 adding 'scm/plams/mol/__init__.py' 2024-10-14T17:15:55,409 adding 'scm/plams/mol/atom.py' 2024-10-14T17:15:55,411 adding 'scm/plams/mol/bond.py' 2024-10-14T17:15:55,412 adding 'scm/plams/mol/context.py' 2024-10-14T17:15:55,415 adding 'scm/plams/mol/identify.py' 2024-10-14T17:15:55,434 adding 'scm/plams/mol/molecule.py' 2024-10-14T17:15:55,436 adding 'scm/plams/mol/pdbtools.py' 2024-10-14T17:15:55,438 adding 'scm/plams/recipes/__init__.py' 2024-10-14T17:15:55,441 adding 'scm/plams/recipes/adfcosmorscompound.py' 2024-10-14T17:15:55,443 adding 'scm/plams/recipes/adfcosmorsconformers.py' 2024-10-14T17:15:55,444 adding 'scm/plams/recipes/adffragment.py' 2024-10-14T17:15:55,445 adding 'scm/plams/recipes/adfnbo.py' 2024-10-14T17:15:55,447 adding 'scm/plams/recipes/ams_crs.py' 2024-10-14T17:15:55,448 adding 'scm/plams/recipes/counterpoise.py' 2024-10-14T17:15:55,450 adding 'scm/plams/recipes/cshadf.py' 2024-10-14T17:15:55,451 adding 'scm/plams/recipes/fcf_dos.py' 2024-10-14T17:15:55,453 adding 'scm/plams/recipes/global_minimum.py' 2024-10-14T17:15:55,454 adding 'scm/plams/recipes/numgrad.py' 2024-10-14T17:15:55,455 adding 'scm/plams/recipes/numhess.py' 2024-10-14T17:15:55,458 adding 'scm/plams/recipes/ox_potential.py' 2024-10-14T17:15:55,461 adding 'scm/plams/recipes/redox.py' 2024-10-14T17:15:55,462 adding 'scm/plams/recipes/redox_defaults.py' 2024-10-14T17:15:55,464 adding 'scm/plams/recipes/redox_potential.py' 2024-10-14T17:15:55,466 adding 'scm/plams/recipes/reorganization_energy.py' 2024-10-14T17:15:55,467 adding 'scm/plams/recipes/md/__init__.py' 2024-10-14T17:15:55,470 adding 'scm/plams/recipes/md/amsmdjob.py' 2024-10-14T17:15:55,471 adding 'scm/plams/recipes/md/equilibratedensity.py' 2024-10-14T17:15:55,473 adding 'scm/plams/recipes/md/greenkuboviscosity.py' 2024-10-14T17:15:55,475 adding 'scm/plams/recipes/md/movingrestraints.py' 2024-10-14T17:15:55,476 adding 'scm/plams/recipes/md/nvespawner.py' 2024-10-14T17:15:55,477 adding 'scm/plams/recipes/md/scandensity.py' 2024-10-14T17:15:55,480 adding 'scm/plams/recipes/md/trajectoryanalysis.py' 2024-10-14T17:15:55,481 adding 'scm/plams/recipes/pestools/__init__.py' 2024-10-14T17:15:55,484 adding 'scm/plams/recipes/pestools/optimizer.py' 2024-10-14T17:15:55,485 adding 'scm/plams/recipes/ts/__init__.py' 2024-10-14T17:15:55,488 adding 'scm/plams/recipes/ts/reaction_boost_workflow.py' 2024-10-14T17:15:55,490 adding 'scm/plams/tools/__init__.py' 2024-10-14T17:15:55,492 adding 'scm/plams/tools/converters.py' 2024-10-14T17:15:55,494 adding 'scm/plams/tools/geometry.py' 2024-10-14T17:15:55,498 adding 'scm/plams/tools/kftools.py' 2024-10-14T17:15:55,500 adding 'scm/plams/tools/periodic_table.py' 2024-10-14T17:15:55,502 adding 'scm/plams/tools/plot.py' 2024-10-14T17:15:55,504 adding 'scm/plams/tools/postprocess_results.py' 2024-10-14T17:15:55,506 adding 'scm/plams/tools/reaction_energies.py' 2024-10-14T17:15:55,508 adding 'scm/plams/tools/units.py' 2024-10-14T17:15:55,510 adding 'scm/plams/trajectories/__init__.py' 2024-10-14T17:15:55,511 adding 'scm/plams/trajectories/analysis.py' 2024-10-14T17:15:55,513 adding 'scm/plams/trajectories/dcdfile.py' 2024-10-14T17:15:55,519 adding 'scm/plams/trajectories/rkffile.py' 2024-10-14T17:15:55,523 adding 'scm/plams/trajectories/rkfhistoryfile.py' 2024-10-14T17:15:55,525 adding 'scm/plams/trajectories/sdffile.py' 2024-10-14T17:15:55,527 adding 'scm/plams/trajectories/sdfhistoryfile.py' 2024-10-14T17:15:55,529 adding 'scm/plams/trajectories/trajectory.py' 2024-10-14T17:15:55,532 adding 'scm/plams/trajectories/trajectoryfile.py' 2024-10-14T17:15:55,534 adding 'scm/plams/trajectories/xyzfile.py' 2024-10-14T17:15:55,536 adding 'scm/plams/trajectories/xyzhistoryfile.py' 2024-10-14T17:15:55,538 adding 'scm/plams/unit_tests/__init__.py' 2024-10-14T17:15:55,539 adding 'scm/plams/unit_tests/conftest.py' 2024-10-14T17:15:55,540 adding 'scm/plams/unit_tests/test_ASECalculator.py' 2024-10-14T17:15:55,542 adding 'scm/plams/unit_tests/test_amsjob.py' 2024-10-14T17:15:55,543 adding 'scm/plams/unit_tests/test_helpers.py' 2024-10-14T17:15:55,544 adding 'scm/plams/unit_tests/test_identify_CO_6.py' 2024-10-14T17:15:55,545 adding 'scm/plams/unit_tests/test_identify_CO_flat4.py' 2024-10-14T17:15:55,546 adding 'scm/plams/unit_tests/test_identify_EZ.py' 2024-10-14T17:15:55,548 adding 'scm/plams/unit_tests/test_identify_RS.py' 2024-10-14T17:15:55,549 adding 'scm/plams/unit_tests/test_identify_basic.py' 2024-10-14T17:15:55,551 adding 'scm/plams/unit_tests/test_inputparser.py' 2024-10-14T17:15:55,552 adding 'scm/plams/unit_tests/test_interfaces.py' 2024-10-14T17:15:55,553 adding 'scm/plams/unit_tests/test_molecule.py' 2024-10-14T17:15:55,555 adding 'scm/plams/unit_tests/test_smiles.py' 2024-10-14T17:15:55,556 adding 'scm/plams/unit_tests/test_version.py' 2024-10-14T17:15:55,558 adding 'scm/plams/unit_tests/xyz/CO_6_1.xyz' 2024-10-14T17:15:55,560 adding 'scm/plams/unit_tests/xyz/CO_6_2.xyz' 2024-10-14T17:15:55,561 adding 'scm/plams/unit_tests/xyz/CO_6_3.xyz' 2024-10-14T17:15:55,562 adding 'scm/plams/unit_tests/xyz/CO_6_4.xyz' 2024-10-14T17:15:55,563 adding 'scm/plams/unit_tests/xyz/CO_6_5.xyz' 2024-10-14T17:15:55,564 adding 'scm/plams/unit_tests/xyz/CO_flat4_1.xyz' 2024-10-14T17:15:55,566 adding 'scm/plams/unit_tests/xyz/CO_flat4_2.xyz' 2024-10-14T17:15:55,567 adding 'scm/plams/unit_tests/xyz/CO_flat4_3.xyz' 2024-10-14T17:15:55,568 adding 'scm/plams/unit_tests/xyz/CO_flat4_4.xyz' 2024-10-14T17:15:55,570 adding 'scm/plams/unit_tests/xyz/EZ1.xyz' 2024-10-14T17:15:55,571 adding 'scm/plams/unit_tests/xyz/EZ2.xyz' 2024-10-14T17:15:55,572 adding 'scm/plams/unit_tests/xyz/RS1.xyz' 2024-10-14T17:15:55,573 adding 'scm/plams/unit_tests/xyz/RS2.xyz' 2024-10-14T17:15:55,575 adding 'scm/plams/unit_tests/xyz/benzene.xyz' 2024-10-14T17:15:55,576 adding 'scm/plams/unit_tests/xyz/chlorophyl1.xyz' 2024-10-14T17:15:55,578 adding 'scm/plams/unit_tests/xyz/chlorophyl2.xyz' 2024-10-14T17:15:55,579 adding 'scm/plams/unit_tests/xyz/multiple_mols_in_xyz.xyz' 2024-10-14T17:15:55,581 adding 'plams-2024.103.dist-info/LICENSE.md' 2024-10-14T17:15:55,582 adding 'plams-2024.103.dist-info/METADATA' 2024-10-14T17:15:55,583 adding 'plams-2024.103.dist-info/WHEEL' 2024-10-14T17:15:55,584 adding 'plams-2024.103.dist-info/top_level.txt' 2024-10-14T17:15:55,587 adding 'plams-2024.103.dist-info/RECORD' 2024-10-14T17:15:55,595 removing build/bdist.linux-armv7l/wheel 2024-10-14T17:15:55,749 Building wheel for plams (setup.py): finished with status 'done' 2024-10-14T17:15:55,757 Created wheel for plams: filename=plams-2024.103-py3-none-any.whl size=474849 sha256=c0deabba55dbd9050ef76f2ffea02c45937a127675471500076dd889f4f7ce63 2024-10-14T17:15:55,758 Stored in directory: /tmp/pip-ephem-wheel-cache-6q3crxet/wheels/5e/3d/55/0e0cc9cee02faf27b3cdcb1adc09726f547f9236a9ca7ed047 2024-10-14T17:15:55,773 Successfully built plams 2024-10-14T17:15:55,787 Removed build tracker: '/tmp/pip-build-tracker-61t_1kd3'