2026-09-10T03:49:39,325 Created temporary directory: /tmp/pip-ephem-wheel-cache-9mc2aw64 2026-09-10T03:49:39,326 Created temporary directory: /tmp/pip-build-tracker-9sk_j_8u 2026-09-10T03:49:39,327 Initialized build tracking at /tmp/pip-build-tracker-9sk_j_8u 2026-09-10T03:49:39,327 Created build tracker: /tmp/pip-build-tracker-9sk_j_8u 2026-09-10T03:49:39,328 Entered build tracker: /tmp/pip-build-tracker-9sk_j_8u 2026-09-10T03:49:39,329 Created temporary directory: /tmp/pip-wheel-zp8b77fq 2026-09-10T03:49:39,331 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 2026-09-10T03:49:39,334 Created temporary directory: /tmp/pip-ephem-wheel-cache-frsntqrr 2026-09-10T03:49:39,356 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-09-10T03:49:39,359 2 location(s) to search for versions of mlatom: 2026-09-10T03:49:39,359 * https://pypi.org/simple/mlatom/ 2026-09-10T03:49:39,359 * https://www.piwheels.org/simple/mlatom/ 2026-09-10T03:49:39,360 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-09-10T03:49:39,361 Getting page https://pypi.org/simple/mlatom/ 2026-09-10T03:49:39,362 Found index url https://pypi.org/simple 2026-09-10T03:49:39,597 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-09-10T03:49:39,621 Found link https://files.pythonhosted.org/packages/5b/e9/8d9312076e57d185dd6aca0554dcdf867181dec45166b7e952ccf7f663a1/MLatom-1.2.1.tar.gz (from https://pypi.org/simple/mlatom/) 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2026-09-10T03:49:39,631 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 2026-09-10T03:49:39,632 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) 2026-09-10T03:49:39,633 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 2026-09-10T03:49:39,633 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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2026-09-10T03:49:39,721 Found link https://files.pythonhosted.org/packages/16/15/271a37e49e2cbf3f54c6ae6ae3bc481a4b21dd147e7d942cee51047f6903/mlatom-3.25.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9), version: 3.25.0 2026-09-10T03:49:39,722 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/5d/6d/0a2b0c05e3f61d3a242c7806a6bfa98aa415cf12314685d61d7c1f2cb747/mlatom-3.25.1-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9) 2026-09-10T03:49:39,723 Found link https://files.pythonhosted.org/packages/43/53/067ca4b466020fe69653820c1144172a9b6b9d09411c94bf444cc5746d22/mlatom-3.25.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9), version: 3.25.1 2026-09-10T03:49:39,724 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/7c/60/c9c8f56212ae65da9debeed6b15b2c701246c8e095cf58b758f8c8b84861/mlatom-3.25.2-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9) 2026-09-10T03:49:39,725 Found link https://files.pythonhosted.org/packages/0f/05/a12e93f8e990cb77fcb6c14e264a04476e169ca0edfbf0400b807a184cf9/mlatom-3.25.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9), version: 3.25.2 2026-09-10T03:49:39,726 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/73/f2/8906115faf59cfccc2d48d320154d672e155f849a0b3bfe03f2d64233fa9/mlatom-3.25.3-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9) 2026-09-10T03:49:39,727 Found link https://files.pythonhosted.org/packages/4e/97/4c83cb4ef891ff4c9fea747985b4eed7bd984df9829e784c7d83727008b0/mlatom-3.25.3.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.9), version: 3.25.3 2026-09-10T03:49:39,728 Fetching project page and analyzing links: https://www.piwheels.org/simple/mlatom/ 2026-09-10T03:49:39,729 Getting page https://www.piwheels.org/simple/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) 2026-09-10T03:49:39,969 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) 2026-09-10T03:49:39,970 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) 2026-09-10T03:49:39,970 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) 2026-09-10T03:49:39,971 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) 2026-09-10T03:49:39,971 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) 2026-09-10T03:49:39,972 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) 2026-09-10T03:49:39,972 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-09-10T03:49:39,973 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-09-10T03:49:39,999 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-09-10T03:49:40,017 Collecting mlatom==3.25.3 2026-09-10T03:49:40,019 Created temporary directory: /tmp/pip-unpack-st7iqjlb 2026-09-10T03:49:40,169 Downloading mlatom-3.25.3.tar.gz (61.7 MB) 2026-09-10T03:49:49,109 Added mlatom==3.25.3 from https://files.pythonhosted.org/packages/4e/97/4c83cb4ef891ff4c9fea747985b4eed7bd984df9829e784c7d83727008b0/mlatom-3.25.3.tar.gz to build tracker '/tmp/pip-build-tracker-9sk_j_8u' 2026-09-10T03:49:49,110 Running setup.py (path:/tmp/pip-wheel-zp8b77fq/mlatom_286d16d8e83e43d29ca49fc88a9a0df7/setup.py) egg_info for package mlatom 2026-09-10T03:49:49,111 Created temporary directory: /tmp/pip-pip-egg-info-rxfgba2x 2026-09-10T03:49:49,111 Preparing metadata (setup.py): started 2026-09-10T03:49:49,113 Running command python setup.py egg_info 2026-09-10T03:49:50,015 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-09-10T03:49:50,015 !! 2026-09-10T03:49:50,016 ******************************************************************************** 2026-09-10T03:49:50,017 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-09-10T03:49:50,018 License :: OSI Approved :: Apache Software License 2026-09-10T03:49:50,019 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-09-10T03:49:50,020 ******************************************************************************** 2026-09-10T03:49:50,021 !! 2026-09-10T03:49:50,022 self._finalize_license_expression() 2026-09-10T03:49:50,045 running egg_info 2026-09-10T03:49:50,073 creating /tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info 2026-09-10T03:49:50,074 writing /tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/PKG-INFO 2026-09-10T03:49:50,078 writing dependency_links to /tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/dependency_links.txt 2026-09-10T03:49:50,080 writing entry points to /tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/entry_points.txt 2026-09-10T03:49:50,082 writing requirements to /tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/requires.txt 2026-09-10T03:49:50,083 writing top-level names to /tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/top_level.txt 2026-09-10T03:49:50,084 writing manifest file '/tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/SOURCES.txt' 2026-09-10T03:49:50,250 reading manifest file '/tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/SOURCES.txt' 2026-09-10T03:49:50,252 adding license file 'LICENSE.txt' 2026-09-10T03:49:50,259 writing manifest file '/tmp/pip-pip-egg-info-rxfgba2x/mlatom.egg-info/SOURCES.txt' 2026-09-10T03:49:50,371 Preparing metadata (setup.py): finished with status 'done' 2026-09-10T03:49:50,375 Source in /tmp/pip-wheel-zp8b77fq/mlatom_286d16d8e83e43d29ca49fc88a9a0df7 has version 3.25.3, which satisfies requirement mlatom==3.25.3 from https://files.pythonhosted.org/packages/4e/97/4c83cb4ef891ff4c9fea747985b4eed7bd984df9829e784c7d83727008b0/mlatom-3.25.3.tar.gz 2026-09-10T03:49:50,376 Removed mlatom==3.25.3 from https://files.pythonhosted.org/packages/4e/97/4c83cb4ef891ff4c9fea747985b4eed7bd984df9829e784c7d83727008b0/mlatom-3.25.3.tar.gz from build tracker '/tmp/pip-build-tracker-9sk_j_8u' 2026-09-10T03:49:50,383 Created temporary directory: /tmp/pip-unpack-tyx_fi8_ 2026-09-10T03:49:50,384 Building wheels for collected packages: mlatom 2026-09-10T03:49:50,388 Created temporary directory: /tmp/pip-wheel-dt6a4b3y 2026-09-10T03:49:50,389 Building wheel for mlatom (setup.py): started 2026-09-10T03:49:50,390 Destination directory: /tmp/pip-wheel-dt6a4b3y 2026-09-10T03:49:50,390 Running command python setup.py bdist_wheel 2026-09-10T03:49:51,293 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-09-10T03:49:51,293 !! 2026-09-10T03:49:51,294 ******************************************************************************** 2026-09-10T03:49:51,295 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-09-10T03:49:51,296 License :: OSI Approved :: Apache Software License 2026-09-10T03:49:51,297 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-09-10T03:49:51,297 ******************************************************************************** 2026-09-10T03:49:51,298 !! 2026-09-10T03:49:51,299 self._finalize_license_expression() 2026-09-10T03:49:51,300 running bdist_wheel 2026-09-10T03:49:51,435 running build 2026-09-10T03:49:51,435 running build_py 2026-09-10T03:49:51,438 creating build/lib/mlatom 2026-09-10T03:49:51,441 copying src/mlatom/header.py -> build/lib/mlatom 2026-09-10T03:49:51,443 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-09-10T03:49:51,446 copying src/mlatom/log.py -> build/lib/mlatom 2026-09-10T03:49:51,448 copying src/mlatom/doc.py -> build/lib/mlatom 2026-09-10T03:49:51,451 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-09-10T03:49:51,454 copying src/mlatom/dens.py -> build/lib/mlatom 2026-09-10T03:49:51,457 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-09-10T03:49:51,462 copying src/mlatom/_version_static.py -> build/lib/mlatom 2026-09-10T03:49:51,464 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-09-10T03:49:51,467 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-09-10T03:49:51,469 copying src/mlatom/_version.py -> build/lib/mlatom 2026-09-10T03:49:51,471 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-09-10T03:49:51,474 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-09-10T03:49:51,476 copying src/mlatom/universal_mlips.py -> build/lib/mlatom 2026-09-10T03:49:51,479 copying src/mlatom/models.py -> build/lib/mlatom 2026-09-10T03:49:51,482 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-09-10T03:49:51,484 copying src/mlatom/data.py -> build/lib/mlatom 2026-09-10T03:49:51,490 copying src/mlatom/_update_check.py -> build/lib/mlatom 2026-09-10T03:49:51,492 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-09-10T03:49:51,495 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-09-10T03:49:51,497 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-09-10T03:49:51,501 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-09-10T03:49:51,503 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-09-10T03:49:51,506 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-09-10T03:49:51,510 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-09-10T03:49:51,512 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-09-10T03:49:51,514 copying src/mlatom/md.py -> build/lib/mlatom 2026-09-10T03:49:51,516 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-09-10T03:49:51,518 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-09-10T03:49:51,523 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-09-10T03:49:51,525 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-09-10T03:49:51,529 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-09-10T03:49:51,533 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-09-10T03:49:51,534 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-09-10T03:49:51,537 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-09-10T03:49:51,540 copying src/mlatom/plot.py -> build/lib/mlatom 2026-09-10T03:49:51,543 copying src/mlatom/irc.py -> build/lib/mlatom 2026-09-10T03:49:51,546 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-09-10T03:49:51,548 copying src/mlatom/constants.py -> build/lib/mlatom 2026-09-10T03:49:51,550 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-09-10T03:49:51,552 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-09-10T03:49:51,554 copying src/mlatom/utils.py -> build/lib/mlatom 2026-09-10T03:49:51,557 copying src/mlatom/namd.py -> build/lib/mlatom 2026-09-10T03:49:51,561 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-09-10T03:49:51,564 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-09-10T03:49:51,567 copying src/mlatom/al.py -> build/lib/mlatom 2026-09-10T03:49:51,570 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-09-10T03:49:51,573 copying src/mlatom/stats.py -> build/lib/mlatom 2026-09-10T03:49:51,575 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-09-10T03:49:51,578 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-09-10T03:49:51,580 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-09-10T03:49:51,582 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-09-10T03:49:51,584 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-09-10T03:49:51,588 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-09-10T03:49:51,590 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-09-10T03:49:51,593 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-09-10T03:49:51,596 copying src/mlatom/delta_learning.py -> build/lib/mlatom 2026-09-10T03:49:51,598 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-09-10T03:49:51,601 copying src/mlatom/dispersion.py -> build/lib/mlatom 2026-09-10T03:49:51,604 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-09-10T03:49:51,608 creating build/lib/mlatom/interfaces 2026-09-10T03:49:51,609 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,613 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,615 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,617 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,620 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,624 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,626 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,629 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,632 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,634 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,640 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,642 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,645 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,647 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,649 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,652 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,654 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,657 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,659 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,662 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,665 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,667 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,670 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,672 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,675 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-09-10T03:49:51,678 creating build/lib/mlatom/addons 2026-09-10T03:49:51,678 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-09-10T03:49:51,681 creating build/lib/mlatom/mltpa 2026-09-10T03:49:51,682 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-09-10T03:49:51,684 creating build/lib/mlatom/julia 2026-09-10T03:49:51,685 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-09-10T03:49:51,687 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-09-10T03:49:51,689 creating build/lib/mlatom/fortran 2026-09-10T03:49:51,690 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-09-10T03:49:51,692 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-09-10T03:49:51,694 creating build/lib/mlatom/MLatomF_src 2026-09-10T03:49:51,695 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:51,698 creating build/lib/mlatom/mlatom_models 2026-09-10T03:49:51,699 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-09-10T03:49:51,701 creating build/lib/mlatom/addons/aiqm3 2026-09-10T03:49:51,702 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-09-10T03:49:51,704 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-09-10T03:49:51,706 creating build/lib/mlatom/addons/omnip2x 2026-09-10T03:49:51,707 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-09-10T03:49:51,710 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-09-10T03:49:51,714 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-09-10T03:49:51,716 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-09-10T03:49:51,718 creating build/lib/mlatom/addons/uaiqm 2026-09-10T03:49:51,719 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-09-10T03:49:51,721 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-09-10T03:49:51,723 creating build/lib/mlatom/fortran/np2 2026-09-10T03:49:51,724 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-09-10T03:49:51,727 creating build/lib/mlatom/fortran/np1 2026-09-10T03:49:51,728 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-09-10T03:49:51,730 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:51,731 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:51,733 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:51,734 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:51,811 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-09-10T03:49:52,051 copying src/mlatom/ref.json -> build/lib/mlatom 2026-09-10T03:49:52,054 copying src/mlatom/cs.so -> build/lib/mlatom 2026-09-10T03:49:52,057 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-09-10T03:49:52,930 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-09-10T03:49:52,933 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-09-10T03:49:52,965 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-09-10T03:49:53,024 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-09-10T03:49:53,027 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-09-10T03:49:53,029 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-09-10T03:49:53,032 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-09-10T03:49:53,034 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-09-10T03:49:53,036 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-09-10T03:49:53,039 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-09-10T03:49:53,042 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-09-10T03:49:53,044 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,046 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,048 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,050 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,052 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,054 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,057 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,060 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,063 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,066 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,069 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,072 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,074 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,078 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,080 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,082 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,085 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,087 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,089 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,092 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,095 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,098 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,101 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,103 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,106 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-09-10T03:49:53,108 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-09-10T03:49:53,135 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-09-10T03:49:53,154 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,183 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,213 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,243 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,272 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,302 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,331 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,358 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:53,393 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,435 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,477 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,529 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,570 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,617 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,662 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,702 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:53,796 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-09-10T03:49:53,797 !! 2026-09-10T03:49:53,799 ******************************************************************************** 2026-09-10T03:49:53,799 Please avoid running ``setup.py`` directly. 2026-09-10T03:49:53,800 Instead, use pypa/build, pypa/installer or other 2026-09-10T03:49:53,801 standards-based tools. 2026-09-10T03:49:53,802 This deprecation is overdue, please update your project and remove deprecated 2026-09-10T03:49:53,803 calls to avoid build errors in the future. 2026-09-10T03:49:53,805 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-09-10T03:49:53,806 ******************************************************************************** 2026-09-10T03:49:53,807 !! 2026-09-10T03:49:53,808 self.initialize_options() 2026-09-10T03:49:53,829 installing to build/bdist.linux-armv7l/wheel 2026-09-10T03:49:53,830 running install 2026-09-10T03:49:53,853 running install_lib 2026-09-10T03:49:53,881 creating build/bdist.linux-armv7l/wheel 2026-09-10T03:49:53,884 creating build/bdist.linux-armv7l/wheel/mlatom 2026-09-10T03:49:53,887 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-09-10T03:49:53,888 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:53,892 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:53,894 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:53,897 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:53,900 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:53,904 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,554 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,557 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,559 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,562 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,564 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,569 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,571 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,574 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,577 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,578 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,581 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,584 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,586 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,588 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,591 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,594 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,596 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,599 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,601 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,604 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-10T03:49:55,606 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,609 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,612 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,614 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,616 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,620 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,623 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-09-10T03:49:55,625 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-09-10T03:49:55,626 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-09-10T03:49:55,628 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-09-10T03:49:55,630 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-09-10T03:49:55,631 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-10T03:49:55,634 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-10T03:49:55,638 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-10T03:49:55,639 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-10T03:49:55,641 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-09-10T03:49:55,643 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-09-10T03:49:55,644 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-09-10T03:49:55,646 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-09-10T03:49:55,648 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-09-10T03:49:55,649 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-10T03:49:55,651 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-10T03:49:55,653 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-10T03:49:55,697 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-10T03:49:55,750 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,753 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,757 copying build/lib/mlatom/_version_static.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,759 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,762 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,764 copying build/lib/mlatom/_version.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,766 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,769 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,771 copying build/lib/mlatom/universal_mlips.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,774 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,777 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,780 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,787 copying build/lib/mlatom/_update_check.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,790 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,792 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,795 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,797 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,800 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,803 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,806 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,808 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,810 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,813 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,815 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,819 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-09-10T03:49:55,820 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,823 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,825 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,827 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,828 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,831 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,833 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-10T03:49:55,834 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,836 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,839 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,843 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-09-10T03:49:55,845 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-09-10T03:49:55,846 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-09-10T03:49:55,848 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-09-10T03:49:55,866 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-10T03:49:55,869 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-10T03:49:55,872 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-09-10T03:49:55,873 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-09-10T03:49:55,876 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-09-10T03:49:55,896 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-10T03:49:55,898 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-10T03:49:55,901 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-10T03:49:55,903 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,905 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,909 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-09-10T03:49:55,910 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,913 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,915 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,917 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,920 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,923 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,925 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,928 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,931 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,934 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,936 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,940 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,941 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,943 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,944 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,948 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,950 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,951 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,953 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,955 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,958 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,960 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,962 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,964 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,967 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,970 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-10T03:49:55,973 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,976 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,979 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,983 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,986 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,988 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,991 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,994 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,996 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:55,999 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,003 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-09-10T03:49:56,005 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,007 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,037 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,075 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,105 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,137 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,165 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,193 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,194 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,223 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-10T03:49:56,252 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-09-10T03:49:56,254 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,255 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,297 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,345 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,386 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,427 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,466 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,507 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,509 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,549 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-10T03:49:56,600 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,603 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,605 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,608 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,611 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,613 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,616 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,618 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,620 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,622 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,625 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,628 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,630 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,633 copying build/lib/mlatom/delta_learning.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,636 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,638 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,859 copying build/lib/mlatom/dispersion.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,862 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-10T03:49:56,865 running install_egg_info 2026-09-10T03:49:56,898 running egg_info 2026-09-10T03:49:56,925 writing src/mlatom.egg-info/PKG-INFO 2026-09-10T03:49:56,929 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-09-10T03:49:56,931 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-09-10T03:49:56,934 writing requirements to src/mlatom.egg-info/requires.txt 2026-09-10T03:49:56,935 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-09-10T03:49:57,052 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-09-10T03:49:57,062 adding license file 'LICENSE.txt' 2026-09-10T03:49:57,073 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-09-10T03:49:57,075 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.25.3-py3.11.egg-info 2026-09-10T03:49:57,088 running install_scripts 2026-09-10T03:49:57,103 creating build/bdist.linux-armv7l/wheel/mlatom-3.25.3.dist-info/WHEEL 2026-09-10T03:49:57,106 creating '/tmp/pip-wheel-dt6a4b3y/mlatom-3.25.3-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-09-10T03:49:57,113 adding 'mlatom/EEEDDDD.py' 2026-09-10T03:49:57,116 adding 'mlatom/EEEDDDD_descriptor.py' 2026-09-10T03:49:57,118 adding 'mlatom/EEEDDDD_nn.py' 2026-09-10T03:49:57,122 adding 'mlatom/GICnet.py' 2026-09-10T03:49:57,125 adding 'mlatom/MLTPA.py' 2026-09-10T03:49:57,139 adding 'mlatom/ML_NEA.py' 2026-09-10T03:49:57,142 adding 'mlatom/MLatom.py' 2026-09-10T03:49:59,741 adding 'mlatom/MLatomF' 2026-09-10T03:49:59,844 adding 'mlatom/MLtasks.py' 2026-09-10T03:49:59,846 adding 'mlatom/__init__.py' 2026-09-10T03:49:59,847 adding 'mlatom/_update_check.py' 2026-09-10T03:49:59,849 adding 'mlatom/_version.py' 2026-09-10T03:49:59,851 adding 'mlatom/_version_static.py' 2026-09-10T03:49:59,855 adding 'mlatom/aiqm1.py' 2026-09-10T03:49:59,859 adding 'mlatom/aiqm2.py' 2026-09-10T03:49:59,863 adding 'mlatom/al.py' 2026-09-10T03:49:59,874 adding 'mlatom/al_utils.py' 2026-09-10T03:49:59,879 adding 'mlatom/args_class.py' 2026-09-10T03:49:59,881 adding 'mlatom/ccsdtstarcbs.py' 2026-09-10T03:49:59,883 adding 'mlatom/ciopt.py' 2026-09-10T03:49:59,885 adding 'mlatom/composite_methods.py' 2026-09-10T03:49:59,887 adding 'mlatom/constants.py' 2026-09-10T03:49:59,888 adding 'mlatom/conversions.py' 2026-09-10T03:49:59,891 adding 'mlatom/cs.so' 2026-09-10T03:49:59,913 adding 'mlatom/data.py' 2026-09-10T03:49:59,917 adding 'mlatom/decorators.py' 2026-09-10T03:49:59,920 adding 'mlatom/delta_learning.py' 2026-09-10T03:49:59,924 adding 'mlatom/dens.py' 2026-09-10T03:49:59,927 adding 'mlatom/dispersion.py' 2026-09-10T03:49:59,932 adding 'mlatom/doc.py' 2026-09-10T03:49:59,937 adding 'mlatom/functionsGICnet.py' 2026-09-10T03:49:59,939 adding 'mlatom/gap_md.py' 2026-09-10T03:49:59,940 adding 'mlatom/gen_ts_methods.py' 2026-09-10T03:49:59,943 adding 'mlatom/header.py' 2026-09-10T03:49:59,947 adding 'mlatom/initial_conditions.py' 2026-09-10T03:49:59,949 adding 'mlatom/interface_MLatomF.py' 2026-09-10T03:49:59,954 adding 'mlatom/irc.py' 2026-09-10T03:49:59,956 adding 'mlatom/kreg_api.py' 2026-09-10T03:49:59,958 adding 'mlatom/krr_julia.py' 2026-09-10T03:49:59,960 adding 'mlatom/log.py' 2026-09-10T03:49:59,962 adding 'mlatom/md.py' 2026-09-10T03:49:59,964 adding 'mlatom/md2vibr.py' 2026-09-10T03:49:59,967 adding 'mlatom/md2vibr_cmd.py' 2026-09-10T03:49:59,969 adding 'mlatom/md_cmd.py' 2026-09-10T03:49:59,971 adding 'mlatom/md_parallel.py' 2026-09-10T03:49:59,978 adding 'mlatom/mlatom_gui.py' 2026-09-10T03:49:59,985 adding 'mlatom/model_cls.py' 2026-09-10T03:49:59,991 adding 'mlatom/models.py' 2026-09-10T03:49:59,998 adding 'mlatom/namd.py' 2026-09-10T03:50:00,001 adding 'mlatom/omnip1.py' 2026-09-10T03:50:00,005 adding 'mlatom/omnip1_nn.py' 2026-09-10T03:50:00,007 adding 'mlatom/plot.py' 2026-09-10T03:50:00,009 adding 'mlatom/ref.json' 2026-09-10T03:50:00,011 adding 'mlatom/shell_cmd.py' 2026-09-10T03:50:00,017 adding 'mlatom/simulations.py' 2026-09-10T03:50:00,020 adding 'mlatom/sliceData.py' 2026-09-10T03:50:00,026 adding 'mlatom/spectra.py' 2026-09-10T03:50:00,029 adding 'mlatom/stats.py' 2026-09-10T03:50:00,030 adding 'mlatom/stopper.py' 2026-09-10T03:50:00,033 adding 'mlatom/thermostat.py' 2026-09-10T03:50:00,035 adding 'mlatom/universal_mlips.py' 2026-09-10T03:50:00,037 adding 'mlatom/utils.py' 2026-09-10T03:50:00,039 adding 'mlatom/xyz.py' 2026-09-10T03:50:00,047 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-09-10T03:50:00,055 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-09-10T03:50:00,057 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-09-10T03:50:00,059 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-09-10T03:50:00,061 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-09-10T03:50:00,063 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-09-10T03:50:00,065 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-09-10T03:50:00,069 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-09-10T03:50:00,071 adding 'mlatom/MLatomF_src/Makefile' 2026-09-10T03:50:00,073 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-09-10T03:50:00,075 adding 'mlatom/MLatomF_src/__init__.py' 2026-09-10T03:50:00,076 adding 'mlatom/MLatomF_src/analyze.f90' 2026-09-10T03:50:00,078 adding 'mlatom/MLatomF_src/constants.f90' 2026-09-10T03:50:00,080 adding 'mlatom/MLatomF_src/cs.cpp' 2026-09-10T03:50:00,087 adding 'mlatom/MLatomF_src/dataset.f90' 2026-09-10T03:50:00,090 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-09-10T03:50:00,092 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-09-10T03:50:00,099 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-09-10T03:50:00,100 adding 'mlatom/MLatomF_src/precision.f90' 2026-09-10T03:50:00,102 adding 'mlatom/MLatomF_src/recover.sh' 2026-09-10T03:50:00,103 adding 'mlatom/MLatomF_src/sampling.f90' 2026-09-10T03:50:00,105 adding 'mlatom/MLatomF_src/statistics.f90' 2026-09-10T03:50:00,107 adding 'mlatom/MLatomF_src/stopper.f90' 2026-09-10T03:50:00,108 adding 'mlatom/MLatomF_src/strings.f90' 2026-09-10T03:50:00,109 adding 'mlatom/MLatomF_src/timing.f90' 2026-09-10T03:50:00,111 adding 'mlatom/MLatomF_src/types.f90' 2026-09-10T03:50:00,112 adding 'mlatom/addons/__init__.py' 2026-09-10T03:50:00,114 adding 'mlatom/addons/aiqm3/__init__.py' 2026-09-10T03:50:00,116 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-09-10T03:50:00,117 adding 'mlatom/addons/omnip2x/__init__.py' 2026-09-10T03:50:00,120 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-09-10T03:50:00,121 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-09-10T03:50:00,127 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-09-10T03:50:00,129 adding 'mlatom/addons/uaiqm/__init__.py' 2026-09-10T03:50:00,130 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-09-10T03:50:00,133 adding 'mlatom/fortran/KREG.f90' 2026-09-10T03:50:00,135 adding 'mlatom/fortran/__init__.py' 2026-09-10T03:50:00,136 adding 'mlatom/fortran/compile.py' 2026-09-10T03:50:00,138 adding 'mlatom/fortran/mathUtils.f90' 2026-09-10T03:50:00,139 adding 'mlatom/fortran/stopper.f90' 2026-09-10T03:50:00,306 adding 'mlatom/fortran/np1/KREG.so' 2026-09-10T03:50:00,314 adding 'mlatom/fortran/np1/__init__.py' 2026-09-10T03:50:00,482 adding 'mlatom/fortran/np2/KREG.so' 2026-09-10T03:50:00,490 adding 'mlatom/fortran/np2/__init__.py' 2026-09-10T03:50:00,492 adding 'mlatom/interfaces/__init__.py' 2026-09-10T03:50:00,494 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-09-10T03:50:00,496 adding 'mlatom/interfaces/ase_interface.py' 2026-09-10T03:50:00,499 adding 'mlatom/interfaces/columbus_interface.py' 2026-09-10T03:50:00,501 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-09-10T03:50:00,503 adding 'mlatom/interfaces/dftd3_interface.py' 2026-09-10T03:50:00,504 adding 'mlatom/interfaces/dftd4_interface.py' 2026-09-10T03:50:00,506 adding 'mlatom/interfaces/dpmd_interface.py' 2026-09-10T03:50:00,508 adding 'mlatom/interfaces/gap_interface.py' 2026-09-10T03:50:00,510 adding 'mlatom/interfaces/gaussian_external.py' 2026-09-10T03:50:00,516 adding 'mlatom/interfaces/gaussian_interface.py' 2026-09-10T03:50:00,518 adding 'mlatom/interfaces/geometric_interface.py' 2026-09-10T03:50:00,523 adding 'mlatom/interfaces/mace_interface.py' 2026-09-10T03:50:00,524 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-09-10T03:50:00,527 adding 'mlatom/interfaces/mndo_interface.py' 2026-09-10T03:50:00,533 adding 'mlatom/interfaces/orca_interface.py' 2026-09-10T03:50:00,538 adding 'mlatom/interfaces/physnet_interface.py' 2026-09-10T03:50:00,542 adding 'mlatom/interfaces/pyscf_interface.py' 2026-09-10T03:50:00,544 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-09-10T03:50:00,549 adding 'mlatom/interfaces/sgdml_interface.py' 2026-09-10T03:50:00,551 adding 'mlatom/interfaces/sparrow_interface.py' 2026-09-10T03:50:00,552 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-09-10T03:50:00,566 adding 'mlatom/interfaces/torchani_interface.py' 2026-09-10T03:50:00,569 adding 'mlatom/interfaces/turbomole_interface.py' 2026-09-10T03:50:08,721 adding 'mlatom/interfaces/xtb' 2026-09-10T03:50:09,116 adding 'mlatom/interfaces/xtb_interface.py' 2026-09-10T03:50:09,119 adding 'mlatom/julia/KREG.jl' 2026-09-10T03:50:09,120 adding 'mlatom/julia/__init__.py' 2026-09-10T03:50:09,121 adding 'mlatom/julia/kernel_function.jl' 2026-09-10T03:50:09,123 adding 'mlatom/julia/kreg_julia.py' 2026-09-10T03:50:09,125 adding 'mlatom/julia/krr.jl' 2026-09-10T03:50:09,126 adding 'mlatom/julia/mathUtils.jl' 2026-09-10T03:50:09,127 adding 'mlatom/julia/stopper.jl' 2026-09-10T03:50:09,129 adding 'mlatom/mlatom_models/__init__.py' 2026-09-10T03:50:09,131 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-09-10T03:50:09,390 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-09-10T03:50:09,661 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-09-10T03:50:09,933 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-09-10T03:50:10,203 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-09-10T03:50:10,473 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-09-10T03:50:10,744 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-09-10T03:50:11,015 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-09-10T03:50:11,286 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-09-10T03:50:11,299 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-09-10T03:50:11,684 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-09-10T03:50:12,085 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-09-10T03:50:12,486 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-09-10T03:50:12,887 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-09-10T03:50:13,288 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-09-10T03:50:13,723 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-09-10T03:50:14,124 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-09-10T03:50:14,531 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-09-10T03:50:14,549 adding 'mlatom/mltpa/__init__.py' 2026-09-10T03:50:14,551 adding 'mlatom/mltpa/mff.txt' 2026-09-10T03:50:15,181 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-09-10T03:50:15,579 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-09-10T03:50:15,596 adding 'mlatom-3.25.3.dist-info/licenses/LICENSE.txt' 2026-09-10T03:50:15,598 adding 'mlatom-3.25.3.dist-info/METADATA' 2026-09-10T03:50:15,599 adding 'mlatom-3.25.3.dist-info/WHEEL' 2026-09-10T03:50:15,600 adding 'mlatom-3.25.3.dist-info/entry_points.txt' 2026-09-10T03:50:15,601 adding 'mlatom-3.25.3.dist-info/top_level.txt' 2026-09-10T03:50:15,604 adding 'mlatom-3.25.3.dist-info/RECORD' 2026-09-10T03:50:16,136 removing build/bdist.linux-armv7l/wheel 2026-09-10T03:50:16,332 Building wheel for mlatom (setup.py): finished with status 'done' 2026-09-10T03:50:16,941 Created wheel for mlatom: filename=mlatom-3.25.3-py3-none-any.whl size=61893884 sha256=168d5ee1a7a50c8f52d63c014b3db59c1333ef3fcbe58875fe95cf6d3f331449 2026-09-10T03:50:16,942 Stored in directory: /tmp/pip-ephem-wheel-cache-frsntqrr/wheels/15/ab/13/0e33d144c450c55ad7f23c50fd9a995e62a2e8e3e3cd07529a 2026-09-10T03:50:16,976 Successfully built mlatom 2026-09-10T03:50:18,437 Removed build tracker: '/tmp/pip-build-tracker-9sk_j_8u'