2026-06-26T04:52:18,999 Created temporary directory: /tmp/pip-ephem-wheel-cache-fmvrm4y2 2026-06-26T04:52:19,001 Created temporary directory: /tmp/pip-build-tracker-i30_d_2l 2026-06-26T04:52:19,002 Initialized build tracking at /tmp/pip-build-tracker-i30_d_2l 2026-06-26T04:52:19,002 Created build tracker: /tmp/pip-build-tracker-i30_d_2l 2026-06-26T04:52:19,002 Entered build tracker: /tmp/pip-build-tracker-i30_d_2l 2026-06-26T04:52:19,003 Created temporary directory: /tmp/pip-wheel-f7e4vx0m 2026-06-26T04:52:19,006 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-06-26T04:52:19,008 Created temporary directory: /tmp/pip-ephem-wheel-cache-7szv8afr 2026-06-26T04:52:19,030 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-06-26T04:52:19,033 2 location(s) to search for versions of mlatom: 2026-06-26T04:52:19,033 * https://pypi.org/simple/mlatom/ 2026-06-26T04:52:19,033 * https://www.piwheels.org/simple/mlatom/ 2026-06-26T04:52:19,034 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-06-26T04:52:19,035 Getting page https://pypi.org/simple/mlatom/ 2026-06-26T04:52:19,036 Found index url https://pypi.org/simple 2026-06-26T04:52:19,366 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-06-26T04:52:19,387 Found link https://files.pythonhosted.org/packages/5b/e9/8d9312076e57d185dd6aca0554dcdf867181dec45166b7e952ccf7f663a1/MLatom-1.2.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.6), version: 1.2.1 2026-06-26T04:52:19,388 Found link https://files.pythonhosted.org/packages/3f/42/d6eded4f6ed29db7b48b371876692b80c05e2479f5437decef2ccf97037c/MLatom-1.2.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 1.2.2 2026-06-26T04:52:19,390 Found link https://files.pythonhosted.org/packages/bb/d5/dd92e9829debcb02f50abfbd806b5f7882dc72a82d675ac5cd9b570833c8/MLatom-1.2.3.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 1.2.3 2026-06-26T04:52:19,390 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/3c/1a/c607a0eef3db8ca171fff2ecc79d69825926d958d7078731556dfcf7d737/MLatom-2.0.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,391 Found link https://files.pythonhosted.org/packages/32/a5/4295b7c42d3826ecde0e38d64d1098bf3be284f7ce407d3e0eb0f083c6e8/MLatom-2.0.0.tar.gz (from https://pypi.org/simple/mlatom/) 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2026-06-26T04:52:19,397 Found link https://files.pythonhosted.org/packages/67/d8/75b095e781789f1e3bb9cb9fa0cdf211f09f5ef717b473cc8e79ad75095f/MLatom-2.0.3.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.0.3 2026-06-26T04:52:19,398 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/cf/46/13b88b729912395303db6b893624be4e5d2e957747cfb3523b6dde7c54f0/MLatom-2.0.4-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,399 Found link https://files.pythonhosted.org/packages/3e/93/7077d17483c42137375d0da6b431eeac7ea661ac3b450659f6fb5ba0376c/MLatom-2.0.4.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.0.4 2026-06-26T04:52:19,399 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/c2/ac/a1ed7f0cca44f0934549797da8f3dbc14ac9a5f79aa86a10b28d02afcf16/MLatom-2.0.5-py3-none-any.whl (from 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2026-06-26T04:52:19,428 Found link https://files.pythonhosted.org/packages/a5/b3/380f09149ff02ebbe7110fb61f89bb55fecb2b4a9c15c88f3c8b7aab19d6/mlatom-3.6.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.6.0 2026-06-26T04:52:19,429 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/9b/6b/0805f8acffd174677f9706ad5f5649f5d4f8525051b74e2deb4121e56bcc/mlatom-3.7.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-26T04:52:19,430 Found link https://files.pythonhosted.org/packages/0d/1b/f5ee3dfe159302b184a672578e8391bd3f992aacbd941d96f5a09802ad45/mlatom-3.7.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.7.0 2026-06-26T04:52:19,431 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/74/63/62a3eb0913eb161c9f2ac6041fae7492099e5ef22667e2602f6b5fe2cb7d/mlatom-3.7.1-py3-none-any.whl (from 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2026-06-26T04:52:19,474 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/56/0e/0783f38ca22ab681441ac8d9db676f4fd9928c7581702f9647fe91e8a6fb/mlatom-3.23.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-26T04:52:19,475 Found link https://files.pythonhosted.org/packages/18/0b/489b4251318207c1f88c2ebb555853cd2720afda1b1c9b9a2f4c020af0ca/mlatom-3.23.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.23.0 2026-06-26T04:52:19,475 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/9e/24/e3bc2cdb60810a7303650dba2960667853ca2fe636a1a231b32504429c3c/mlatom-3.23.1-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-26T04:52:19,476 Found link https://files.pythonhosted.org/packages/aa/ce/7598561e9faf363d1597289d9f8ad1c29544903b66e94dbbb17ec736597d/mlatom-3.23.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.23.1 2026-06-26T04:52:19,477 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/ee/ca/8aed8426db6a94f4dad000826133b5c5042528b3d68f853cec826bee90d0/mlatom-3.23.2-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-26T04:52:19,478 Found link https://files.pythonhosted.org/packages/ff/bc/874a0c1f419340e068a6b9f793853c371eba8f6a0173a60efe47aebf6104/mlatom-3.23.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.23.2 2026-06-26T04:52:19,479 Fetching project page and analyzing links: https://www.piwheels.org/simple/mlatom/ 2026-06-26T04:52:19,479 Getting page https://www.piwheels.org/simple/mlatom/ 2026-06-26T04:52:19,481 Found index url https://www.piwheels.org/simple 2026-06-26T04:52:19,802 Fetched page https://www.piwheels.org/simple/mlatom/ as text/html 2026-06-26T04:52:19,819 Skipping link: No binaries permitted for mlatom: 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https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.3-py3-none-any.whl#sha256=e30f21182de2cba5f6f2006d80601751ccc974e7bd1074b8fd93edc8938259d9 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,845 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.2-py3-none-any.whl#sha256=f670bbf50157338f65347b637f759f980f2b1a02c7e70ffcc5e90506b3e013b4 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,846 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.1-py3-none-any.whl#sha256=44c55472a4a43926fcf2093b24d9ac62d431bf6e9e2b61183e362661d834091d (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,847 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.0-py3-none-any.whl#sha256=4976033808e8a1dd7eb391e2a42e99a34645d5f97787815b8347ea695a272a65 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,847 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-1.2.3-py3-none-any.whl#sha256=eaa7de3a8735c8da9eaf2ba08d186947281b7a117954c84a447b7c7b5882d774 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,848 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-1.2.2-py3-none-any.whl#sha256=6d354d368a5139ad83458612f96b7f7d6e496bb6264fdd93845b8c8f992c6ea0 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-26T04:52:19,848 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-1.2.1-py3-none-any.whl#sha256=180c9acf5fd60b2cd4bce36140bdd8ca8b11022d147b1ef56efaea2479418480 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.6) 2026-06-26T04:52:19,849 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-06-26T04:52:19,850 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-06-26T04:52:19,876 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-06-26T04:52:19,896 Collecting mlatom==3.23.2 2026-06-26T04:52:19,898 Created temporary directory: /tmp/pip-unpack-h3oca7du 2026-06-26T04:52:20,229 Downloading mlatom-3.23.2.tar.gz (61.6 MB) 2026-06-26T04:52:34,055 Added mlatom==3.23.2 from https://files.pythonhosted.org/packages/ff/bc/874a0c1f419340e068a6b9f793853c371eba8f6a0173a60efe47aebf6104/mlatom-3.23.2.tar.gz to build tracker '/tmp/pip-build-tracker-i30_d_2l' 2026-06-26T04:52:34,057 Running setup.py (path:/tmp/pip-wheel-f7e4vx0m/mlatom_55aafa3036d74d1dab5bb8d32ddad193/setup.py) egg_info for package mlatom 2026-06-26T04:52:34,058 Created temporary directory: /tmp/pip-pip-egg-info-cp8abhyr 2026-06-26T04:52:34,059 Preparing metadata (setup.py): started 2026-06-26T04:52:34,060 Running command python setup.py egg_info 2026-06-26T04:52:34,992 running egg_info 2026-06-26T04:52:35,019 creating /tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info 2026-06-26T04:52:35,020 writing /tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/PKG-INFO 2026-06-26T04:52:35,024 writing dependency_links to /tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/dependency_links.txt 2026-06-26T04:52:35,025 writing entry points to /tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/entry_points.txt 2026-06-26T04:52:35,027 writing requirements to /tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/requires.txt 2026-06-26T04:52:35,028 writing top-level names to /tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/top_level.txt 2026-06-26T04:52:35,030 writing manifest file '/tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/SOURCES.txt' 2026-06-26T04:52:35,209 reading manifest file '/tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/SOURCES.txt' 2026-06-26T04:52:35,210 adding license file 'LICENSE.txt' 2026-06-26T04:52:35,217 writing manifest file '/tmp/pip-pip-egg-info-cp8abhyr/mlatom.egg-info/SOURCES.txt' 2026-06-26T04:52:35,328 Preparing metadata (setup.py): finished with status 'done' 2026-06-26T04:52:35,332 Source in /tmp/pip-wheel-f7e4vx0m/mlatom_55aafa3036d74d1dab5bb8d32ddad193 has version 3.23.2, which satisfies requirement mlatom==3.23.2 from https://files.pythonhosted.org/packages/ff/bc/874a0c1f419340e068a6b9f793853c371eba8f6a0173a60efe47aebf6104/mlatom-3.23.2.tar.gz 2026-06-26T04:52:35,333 Removed mlatom==3.23.2 from https://files.pythonhosted.org/packages/ff/bc/874a0c1f419340e068a6b9f793853c371eba8f6a0173a60efe47aebf6104/mlatom-3.23.2.tar.gz from build tracker '/tmp/pip-build-tracker-i30_d_2l' 2026-06-26T04:52:35,340 Created temporary directory: /tmp/pip-unpack-0yev016z 2026-06-26T04:52:35,340 Building wheels for collected packages: mlatom 2026-06-26T04:52:35,344 Created temporary directory: /tmp/pip-wheel-qre597y7 2026-06-26T04:52:35,345 Building wheel for mlatom (setup.py): started 2026-06-26T04:52:35,346 Destination directory: /tmp/pip-wheel-qre597y7 2026-06-26T04:52:35,347 Running command python setup.py bdist_wheel 2026-06-26T04:52:36,194 running bdist_wheel 2026-06-26T04:52:36,326 running build 2026-06-26T04:52:36,327 running build_py 2026-06-26T04:52:36,358 creating build/lib/mlatom 2026-06-26T04:52:36,361 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-06-26T04:52:36,363 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-06-26T04:52:36,366 copying src/mlatom/plot.py -> build/lib/mlatom 2026-06-26T04:52:36,368 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-06-26T04:52:36,371 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-06-26T04:52:36,374 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-06-26T04:52:36,376 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-06-26T04:52:36,379 copying src/mlatom/header.py -> build/lib/mlatom 2026-06-26T04:52:36,382 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-06-26T04:52:36,384 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-06-26T04:52:36,386 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-06-26T04:52:36,389 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-06-26T04:52:36,392 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-06-26T04:52:36,398 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-06-26T04:52:36,400 copying src/mlatom/models.py -> build/lib/mlatom 2026-06-26T04:52:36,403 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-06-26T04:52:36,406 copying src/mlatom/stats.py -> build/lib/mlatom 2026-06-26T04:52:36,408 copying src/mlatom/data.py -> build/lib/mlatom 2026-06-26T04:52:36,415 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-06-26T04:52:36,416 copying src/mlatom/_version.py -> build/lib/mlatom 2026-06-26T04:52:36,418 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-06-26T04:52:36,421 copying src/mlatom/namd.py -> build/lib/mlatom 2026-06-26T04:52:36,425 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-06-26T04:52:36,427 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-06-26T04:52:36,430 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-06-26T04:52:36,432 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-06-26T04:52:36,438 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-06-26T04:52:36,440 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-06-26T04:52:36,442 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-06-26T04:52:36,444 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-06-26T04:52:36,447 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-06-26T04:52:36,450 copying src/mlatom/_update_check.py -> build/lib/mlatom 2026-06-26T04:52:36,452 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-06-26T04:52:36,455 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-06-26T04:52:36,458 copying src/mlatom/doc.py -> build/lib/mlatom 2026-06-26T04:52:36,461 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-06-26T04:52:36,463 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-06-26T04:52:36,465 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-06-26T04:52:36,467 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-06-26T04:52:36,469 copying src/mlatom/md.py -> build/lib/mlatom 2026-06-26T04:52:36,472 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-06-26T04:52:36,473 copying src/mlatom/irc.py -> build/lib/mlatom 2026-06-26T04:52:36,476 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-06-26T04:52:36,479 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-06-26T04:52:36,483 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-06-26T04:52:36,486 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-06-26T04:52:36,489 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-06-26T04:52:36,491 copying src/mlatom/log.py -> build/lib/mlatom 2026-06-26T04:52:36,493 copying src/mlatom/constants.py -> build/lib/mlatom 2026-06-26T04:52:36,495 copying src/mlatom/al.py -> build/lib/mlatom 2026-06-26T04:52:36,498 copying src/mlatom/_version_static.py -> build/lib/mlatom 2026-06-26T04:52:36,499 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-06-26T04:52:36,502 copying src/mlatom/dens.py -> build/lib/mlatom 2026-06-26T04:52:36,504 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-06-26T04:52:36,506 copying src/mlatom/utils.py -> build/lib/mlatom 2026-06-26T04:52:36,508 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-06-26T04:52:36,511 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-06-26T04:52:36,515 creating build/lib/mlatom/mltpa 2026-06-26T04:52:36,516 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-06-26T04:52:36,518 creating build/lib/mlatom/interfaces 2026-06-26T04:52:36,519 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,522 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,524 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,527 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,530 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,532 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,535 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,537 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,540 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,541 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,545 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,547 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,550 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,552 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,555 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,557 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,559 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,561 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,563 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,566 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,568 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,571 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,573 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,575 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,579 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-06-26T04:52:36,582 creating build/lib/mlatom/fortran 2026-06-26T04:52:36,583 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-06-26T04:52:36,585 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-06-26T04:52:36,587 creating build/lib/mlatom/mlatom_models 2026-06-26T04:52:36,588 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-06-26T04:52:36,590 creating build/lib/mlatom/MLatomF_src 2026-06-26T04:52:36,591 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:36,593 creating build/lib/mlatom/julia 2026-06-26T04:52:36,594 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-06-26T04:52:36,597 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-06-26T04:52:36,599 creating build/lib/mlatom/addons 2026-06-26T04:52:36,600 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-06-26T04:52:36,602 creating build/lib/mlatom/fortran/np1 2026-06-26T04:52:36,603 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-06-26T04:52:36,605 creating build/lib/mlatom/fortran/np2 2026-06-26T04:52:36,606 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-06-26T04:52:36,608 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:36,609 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:36,611 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:36,612 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:36,614 creating build/lib/mlatom/addons/omnip2x 2026-06-26T04:52:36,615 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-06-26T04:52:36,619 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-06-26T04:52:36,623 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-06-26T04:52:36,624 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-06-26T04:52:36,627 creating build/lib/mlatom/addons/aiqm3 2026-06-26T04:52:36,628 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-06-26T04:52:36,630 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-06-26T04:52:36,631 creating build/lib/mlatom/addons/uaiqm 2026-06-26T04:52:36,632 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-06-26T04:52:36,634 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-06-26T04:52:36,705 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-06-26T04:52:36,983 copying src/mlatom/ref.json -> build/lib/mlatom 2026-06-26T04:52:36,986 copying src/mlatom/cs.so -> build/lib/mlatom 2026-06-26T04:52:36,989 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-06-26T04:52:36,992 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-06-26T04:52:37,042 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-06-26T04:52:37,076 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-06-26T04:52:38,290 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-06-26T04:52:38,292 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-06-26T04:52:38,294 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-06-26T04:52:38,297 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,300 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,302 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,305 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,307 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,309 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,312 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,315 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,318 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,321 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,324 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,326 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,329 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,332 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,335 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,337 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,340 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,343 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,345 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,349 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,353 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,356 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,358 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,360 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,363 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-06-26T04:52:38,365 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-06-26T04:52:38,367 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-06-26T04:52:38,370 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-06-26T04:52:38,372 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-06-26T04:52:38,375 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-06-26T04:52:38,378 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-06-26T04:52:38,397 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-06-26T04:52:38,423 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,471 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,512 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,559 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,605 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,648 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,696 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,738 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:38,790 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:38,823 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:38,853 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:38,883 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:38,988 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:39,018 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:39,054 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:39,089 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:39,159 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-06-26T04:52:39,160 !! 2026-06-26T04:52:39,161 ******************************************************************************** 2026-06-26T04:52:39,162 Please avoid running ``setup.py`` directly. 2026-06-26T04:52:39,162 Instead, use pypa/build, pypa/installer or other 2026-06-26T04:52:39,163 standards-based tools. 2026-06-26T04:52:39,164 This deprecation is overdue, please update your project and remove deprecated 2026-06-26T04:52:39,165 calls to avoid build errors in the future. 2026-06-26T04:52:39,166 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-06-26T04:52:39,166 ******************************************************************************** 2026-06-26T04:52:39,168 !! 2026-06-26T04:52:39,168 self.initialize_options() 2026-06-26T04:52:39,190 installing to build/bdist.linux-armv7l/wheel 2026-06-26T04:52:39,190 running install 2026-06-26T04:52:39,213 running install_lib 2026-06-26T04:52:39,240 creating build/bdist.linux-armv7l/wheel 2026-06-26T04:52:39,243 creating build/bdist.linux-armv7l/wheel/mlatom 2026-06-26T04:52:39,244 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,247 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-06-26T04:52:39,248 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-26T04:52:39,250 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-26T04:52:39,315 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-26T04:52:39,357 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-26T04:52:39,360 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,364 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,366 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,369 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,371 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,374 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,376 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,378 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,380 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,383 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,385 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,388 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,392 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,394 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,396 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,399 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,401 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:39,407 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-06-26T04:52:39,409 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,411 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,413 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,417 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,419 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,422 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,425 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,428 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:39,431 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,106 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,108 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,112 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,114 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,117 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,119 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,122 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,124 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,127 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,129 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,130 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,133 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,135 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,139 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,141 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,143 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,147 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-26T04:52:41,150 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,151 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,383 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,386 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-06-26T04:52:41,387 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-26T04:52:41,392 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-06-26T04:52:41,394 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-26T04:52:41,399 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-26T04:52:41,425 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-26T04:52:41,428 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-06-26T04:52:41,429 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-26T04:52:41,432 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-26T04:52:41,455 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-26T04:52:41,457 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-26T04:52:41,460 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-26T04:52:41,461 copying build/lib/mlatom/_version.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,463 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,466 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,470 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,472 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,475 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,477 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,481 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,483 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,485 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,487 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:41,490 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-06-26T04:52:41,491 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,492 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,531 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,572 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,616 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,664 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,710 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,711 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,751 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,797 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-26T04:52:41,840 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-06-26T04:52:41,842 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:41,843 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:41,873 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:41,903 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:41,934 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:41,971 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:42,059 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:42,060 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:42,093 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:42,121 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-26T04:52:42,152 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,155 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,158 copying build/lib/mlatom/_update_check.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,160 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,162 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,165 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,168 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,171 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,173 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,175 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,176 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,179 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,180 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,183 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,185 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,188 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,191 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,193 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,195 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,198 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-06-26T04:52:42,199 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,201 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,203 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,205 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,207 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,210 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,212 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,216 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,218 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,220 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,222 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,225 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,228 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,230 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,232 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,233 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,236 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,238 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,240 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,242 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,244 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,247 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,250 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,252 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,254 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,256 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-26T04:52:42,259 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-06-26T04:52:42,260 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,262 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,264 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,266 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,268 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,271 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,272 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-26T04:52:42,274 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,276 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,279 copying build/lib/mlatom/_version_static.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,281 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-06-26T04:52:42,283 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-06-26T04:52:42,284 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-26T04:52:42,286 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-26T04:52:42,289 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-26T04:52:42,291 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-26T04:52:42,293 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-06-26T04:52:42,295 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-06-26T04:52:42,296 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-26T04:52:42,298 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-26T04:52:42,300 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-06-26T04:52:42,301 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-26T04:52:42,303 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-26T04:52:42,305 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,307 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,310 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,312 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,314 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,317 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-26T04:52:42,320 running install_egg_info 2026-06-26T04:52:42,353 running egg_info 2026-06-26T04:52:42,380 writing src/mlatom.egg-info/PKG-INFO 2026-06-26T04:52:42,383 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-06-26T04:52:42,385 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-06-26T04:52:42,386 writing requirements to src/mlatom.egg-info/requires.txt 2026-06-26T04:52:42,387 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-06-26T04:52:42,526 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-26T04:52:42,542 adding license file 'LICENSE.txt' 2026-06-26T04:52:42,552 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-26T04:52:42,554 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.23.2-py3.11.egg-info 2026-06-26T04:52:42,566 running install_scripts 2026-06-26T04:52:42,579 creating build/bdist.linux-armv7l/wheel/mlatom-3.23.2.dist-info/WHEEL 2026-06-26T04:52:42,581 creating '/tmp/pip-wheel-qre597y7/mlatom-3.23.2-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-06-26T04:52:42,588 adding 'mlatom/EEEDDDD.py' 2026-06-26T04:52:42,590 adding 'mlatom/EEEDDDD_descriptor.py' 2026-06-26T04:52:42,591 adding 'mlatom/EEEDDDD_nn.py' 2026-06-26T04:52:42,595 adding 'mlatom/GICnet.py' 2026-06-26T04:52:42,598 adding 'mlatom/MLTPA.py' 2026-06-26T04:52:42,612 adding 'mlatom/ML_NEA.py' 2026-06-26T04:52:42,615 adding 'mlatom/MLatom.py' 2026-06-26T04:52:45,198 adding 'mlatom/MLatomF' 2026-06-26T04:52:45,329 adding 'mlatom/MLtasks.py' 2026-06-26T04:52:45,330 adding 'mlatom/__init__.py' 2026-06-26T04:52:45,332 adding 'mlatom/_update_check.py' 2026-06-26T04:52:45,333 adding 'mlatom/_version.py' 2026-06-26T04:52:45,335 adding 'mlatom/_version_static.py' 2026-06-26T04:52:45,337 adding 'mlatom/aiqm1.py' 2026-06-26T04:52:45,338 adding 'mlatom/aiqm2.py' 2026-06-26T04:52:45,343 adding 'mlatom/al.py' 2026-06-26T04:52:45,353 adding 'mlatom/al_utils.py' 2026-06-26T04:52:45,358 adding 'mlatom/args_class.py' 2026-06-26T04:52:45,359 adding 'mlatom/ccsdtstarcbs.py' 2026-06-26T04:52:45,361 adding 'mlatom/ciopt.py' 2026-06-26T04:52:45,363 adding 'mlatom/composite_methods.py' 2026-06-26T04:52:45,364 adding 'mlatom/constants.py' 2026-06-26T04:52:45,365 adding 'mlatom/conversions.py' 2026-06-26T04:52:45,367 adding 'mlatom/cs.so' 2026-06-26T04:52:45,385 adding 'mlatom/data.py' 2026-06-26T04:52:45,388 adding 'mlatom/decorators.py' 2026-06-26T04:52:45,392 adding 'mlatom/dens.py' 2026-06-26T04:52:45,398 adding 'mlatom/doc.py' 2026-06-26T04:52:45,402 adding 'mlatom/functionsGICnet.py' 2026-06-26T04:52:45,404 adding 'mlatom/gap_md.py' 2026-06-26T04:52:45,406 adding 'mlatom/gen_ts_methods.py' 2026-06-26T04:52:45,408 adding 'mlatom/header.py' 2026-06-26T04:52:45,412 adding 'mlatom/initial_conditions.py' 2026-06-26T04:52:45,414 adding 'mlatom/interface_MLatomF.py' 2026-06-26T04:52:45,418 adding 'mlatom/irc.py' 2026-06-26T04:52:45,420 adding 'mlatom/kreg_api.py' 2026-06-26T04:52:45,421 adding 'mlatom/krr_julia.py' 2026-06-26T04:52:45,423 adding 'mlatom/log.py' 2026-06-26T04:52:45,425 adding 'mlatom/md.py' 2026-06-26T04:52:45,427 adding 'mlatom/md2vibr.py' 2026-06-26T04:52:45,429 adding 'mlatom/md2vibr_cmd.py' 2026-06-26T04:52:45,431 adding 'mlatom/md_cmd.py' 2026-06-26T04:52:45,433 adding 'mlatom/md_parallel.py' 2026-06-26T04:52:45,440 adding 'mlatom/mlatom_gui.py' 2026-06-26T04:52:45,446 adding 'mlatom/model_cls.py' 2026-06-26T04:52:45,451 adding 'mlatom/models.py' 2026-06-26T04:52:45,458 adding 'mlatom/namd.py' 2026-06-26T04:52:45,460 adding 'mlatom/omnip1.py' 2026-06-26T04:52:45,461 adding 'mlatom/omnip1_nn.py' 2026-06-26T04:52:45,463 adding 'mlatom/plot.py' 2026-06-26T04:52:45,465 adding 'mlatom/ref.json' 2026-06-26T04:52:45,466 adding 'mlatom/shell_cmd.py' 2026-06-26T04:52:45,472 adding 'mlatom/simulations.py' 2026-06-26T04:52:45,474 adding 'mlatom/sliceData.py' 2026-06-26T04:52:45,480 adding 'mlatom/spectra.py' 2026-06-26T04:52:45,481 adding 'mlatom/stats.py' 2026-06-26T04:52:45,483 adding 'mlatom/stopper.py' 2026-06-26T04:52:45,484 adding 'mlatom/thermostat.py' 2026-06-26T04:52:45,486 adding 'mlatom/utils.py' 2026-06-26T04:52:45,488 adding 'mlatom/xyz.py' 2026-06-26T04:52:45,494 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-06-26T04:52:45,502 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-06-26T04:52:45,504 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-06-26T04:52:45,506 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-06-26T04:52:45,508 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-06-26T04:52:45,510 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-06-26T04:52:45,511 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-06-26T04:52:45,515 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-06-26T04:52:45,517 adding 'mlatom/MLatomF_src/Makefile' 2026-06-26T04:52:45,518 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-06-26T04:52:45,519 adding 'mlatom/MLatomF_src/__init__.py' 2026-06-26T04:52:45,520 adding 'mlatom/MLatomF_src/analyze.f90' 2026-06-26T04:52:45,521 adding 'mlatom/MLatomF_src/constants.f90' 2026-06-26T04:52:45,522 adding 'mlatom/MLatomF_src/cs.cpp' 2026-06-26T04:52:45,529 adding 'mlatom/MLatomF_src/dataset.f90' 2026-06-26T04:52:45,532 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-06-26T04:52:45,534 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-06-26T04:52:45,541 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-06-26T04:52:45,542 adding 'mlatom/MLatomF_src/precision.f90' 2026-06-26T04:52:45,544 adding 'mlatom/MLatomF_src/recover.sh' 2026-06-26T04:52:45,545 adding 'mlatom/MLatomF_src/sampling.f90' 2026-06-26T04:52:45,547 adding 'mlatom/MLatomF_src/statistics.f90' 2026-06-26T04:52:45,549 adding 'mlatom/MLatomF_src/stopper.f90' 2026-06-26T04:52:45,550 adding 'mlatom/MLatomF_src/strings.f90' 2026-06-26T04:52:45,551 adding 'mlatom/MLatomF_src/timing.f90' 2026-06-26T04:52:45,553 adding 'mlatom/MLatomF_src/types.f90' 2026-06-26T04:52:45,554 adding 'mlatom/addons/__init__.py' 2026-06-26T04:52:45,556 adding 'mlatom/addons/aiqm3/__init__.py' 2026-06-26T04:52:45,557 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-06-26T04:52:45,559 adding 'mlatom/addons/omnip2x/__init__.py' 2026-06-26T04:52:45,561 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-06-26T04:52:45,562 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-06-26T04:52:45,567 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-06-26T04:52:45,569 adding 'mlatom/addons/uaiqm/__init__.py' 2026-06-26T04:52:45,570 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-06-26T04:52:45,573 adding 'mlatom/fortran/KREG.f90' 2026-06-26T04:52:45,574 adding 'mlatom/fortran/__init__.py' 2026-06-26T04:52:45,576 adding 'mlatom/fortran/compile.py' 2026-06-26T04:52:45,577 adding 'mlatom/fortran/mathUtils.f90' 2026-06-26T04:52:45,578 adding 'mlatom/fortran/stopper.f90' 2026-06-26T04:52:45,746 adding 'mlatom/fortran/np1/KREG.so' 2026-06-26T04:52:45,756 adding 'mlatom/fortran/np1/__init__.py' 2026-06-26T04:52:45,923 adding 'mlatom/fortran/np2/KREG.so' 2026-06-26T04:52:45,933 adding 'mlatom/fortran/np2/__init__.py' 2026-06-26T04:52:45,935 adding 'mlatom/interfaces/__init__.py' 2026-06-26T04:52:45,937 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-06-26T04:52:45,938 adding 'mlatom/interfaces/ase_interface.py' 2026-06-26T04:52:45,940 adding 'mlatom/interfaces/columbus_interface.py' 2026-06-26T04:52:45,943 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-06-26T04:52:45,945 adding 'mlatom/interfaces/dftd3_interface.py' 2026-06-26T04:52:45,946 adding 'mlatom/interfaces/dftd4_interface.py' 2026-06-26T04:52:45,949 adding 'mlatom/interfaces/dpmd_interface.py' 2026-06-26T04:52:45,951 adding 'mlatom/interfaces/gap_interface.py' 2026-06-26T04:52:45,952 adding 'mlatom/interfaces/gaussian_external.py' 2026-06-26T04:52:45,958 adding 'mlatom/interfaces/gaussian_interface.py' 2026-06-26T04:52:45,960 adding 'mlatom/interfaces/geometric_interface.py' 2026-06-26T04:52:45,964 adding 'mlatom/interfaces/mace_interface.py' 2026-06-26T04:52:45,966 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-06-26T04:52:45,968 adding 'mlatom/interfaces/mndo_interface.py' 2026-06-26T04:52:45,974 adding 'mlatom/interfaces/orca_interface.py' 2026-06-26T04:52:45,979 adding 'mlatom/interfaces/physnet_interface.py' 2026-06-26T04:52:45,982 adding 'mlatom/interfaces/pyscf_interface.py' 2026-06-26T04:52:45,983 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-06-26T04:52:45,988 adding 'mlatom/interfaces/sgdml_interface.py' 2026-06-26T04:52:45,990 adding 'mlatom/interfaces/sparrow_interface.py' 2026-06-26T04:52:45,991 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-06-26T04:52:46,002 adding 'mlatom/interfaces/torchani_interface.py' 2026-06-26T04:52:46,004 adding 'mlatom/interfaces/turbomole_interface.py' 2026-06-26T04:52:54,136 adding 'mlatom/interfaces/xtb' 2026-06-26T04:52:54,649 adding 'mlatom/interfaces/xtb_interface.py' 2026-06-26T04:52:54,651 adding 'mlatom/julia/KREG.jl' 2026-06-26T04:52:54,652 adding 'mlatom/julia/__init__.py' 2026-06-26T04:52:54,653 adding 'mlatom/julia/kernel_function.jl' 2026-06-26T04:52:54,655 adding 'mlatom/julia/kreg_julia.py' 2026-06-26T04:52:54,657 adding 'mlatom/julia/krr.jl' 2026-06-26T04:52:54,658 adding 'mlatom/julia/mathUtils.jl' 2026-06-26T04:52:54,659 adding 'mlatom/julia/stopper.jl' 2026-06-26T04:52:54,661 adding 'mlatom/mlatom_models/__init__.py' 2026-06-26T04:52:54,662 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-06-26T04:52:54,920 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-06-26T04:52:55,191 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-06-26T04:52:55,464 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-06-26T04:52:55,735 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-06-26T04:52:56,007 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-06-26T04:52:56,279 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-06-26T04:52:56,551 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-06-26T04:52:56,823 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-06-26T04:52:56,840 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-06-26T04:52:57,221 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-06-26T04:52:57,623 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-06-26T04:52:58,026 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-06-26T04:52:58,428 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-06-26T04:52:58,831 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-06-26T04:52:59,234 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-06-26T04:52:59,646 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-06-26T04:53:00,124 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-06-26T04:53:00,146 adding 'mlatom/mltpa/__init__.py' 2026-06-26T04:53:00,149 adding 'mlatom/mltpa/mff.txt' 2026-06-26T04:53:00,753 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-06-26T04:53:01,137 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-06-26T04:53:01,158 adding 'mlatom-3.23.2.dist-info/licenses/LICENSE.txt' 2026-06-26T04:53:01,160 adding 'mlatom-3.23.2.dist-info/METADATA' 2026-06-26T04:53:01,161 adding 'mlatom-3.23.2.dist-info/WHEEL' 2026-06-26T04:53:01,162 adding 'mlatom-3.23.2.dist-info/entry_points.txt' 2026-06-26T04:53:01,162 adding 'mlatom-3.23.2.dist-info/top_level.txt' 2026-06-26T04:53:01,165 adding 'mlatom-3.23.2.dist-info/RECORD' 2026-06-26T04:53:01,695 removing build/bdist.linux-armv7l/wheel 2026-06-26T04:53:01,869 Building wheel for mlatom (setup.py): finished with status 'done' 2026-06-26T04:53:02,943 Created wheel for mlatom: filename=mlatom-3.23.2-py3-none-any.whl size=61825164 sha256=7fa12ca101db29c766db8ed6a6ad6dcb903363a1b8134a76b9573aceebe72c49 2026-06-26T04:53:02,944 Stored in directory: /tmp/pip-ephem-wheel-cache-7szv8afr/wheels/6a/56/b8/8131e38287b56579f59a71474d943cf5a118a667d2327ccf5a 2026-06-26T04:53:02,958 Successfully built mlatom 2026-06-26T04:53:04,202 Removed build tracker: '/tmp/pip-build-tracker-i30_d_2l'