2026-09-12T08:27:59,106 Created temporary directory: /tmp/pip-ephem-wheel-cache-2r37yqkx 2026-09-12T08:27:59,107 Created temporary directory: /tmp/pip-build-tracker-xwsy8gpf 2026-09-12T08:27:59,108 Initialized build tracking at /tmp/pip-build-tracker-xwsy8gpf 2026-09-12T08:27:59,109 Created build tracker: /tmp/pip-build-tracker-xwsy8gpf 2026-09-12T08:27:59,109 Entered build tracker: /tmp/pip-build-tracker-xwsy8gpf 2026-09-12T08:27:59,110 Created temporary directory: /tmp/pip-wheel-zw493ydp 2026-09-12T08:27:59,113 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 2026-09-12T08:27:59,115 Created temporary directory: /tmp/pip-ephem-wheel-cache-j1x2d4q4 2026-09-12T08:27:59,137 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-09-12T08:27:59,141 2 location(s) to search for versions of mlatom: 2026-09-12T08:27:59,141 * https://pypi.org/simple/mlatom/ 2026-09-12T08:27:59,141 * https://www.piwheels.org/simple/mlatom/ 2026-09-12T08:27:59,142 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-09-12T08:27:59,142 Getting page https://pypi.org/simple/mlatom/ 2026-09-12T08:27:59,144 Found index url https://pypi.org/simple 2026-09-12T08:27:59,371 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-09-12T08:27:59,396 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 2026-09-12T08:27:59,397 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 2026-09-12T08:27:59,398 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 2026-09-12T08:27:59,399 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) 2026-09-12T08:27:59,400 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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2026-09-12T08:27:59,407 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 2026-09-12T08:27:59,408 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) 2026-09-12T08:27:59,409 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 2026-09-12T08:27:59,410 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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2026-09-12T08:27:59,501 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 2026-09-12T08:27:59,501 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) 2026-09-12T08:27:59,502 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 2026-09-12T08:27:59,503 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) 2026-09-12T08:27:59,504 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 2026-09-12T08:27:59,505 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) 2026-09-12T08:27:59,506 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 2026-09-12T08:27:59,507 Skipping link: No binaries permitted for mlatom: 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https://archive1.piwheels.org/simple/mlatom/MLatom-2.3.1-py3-none-any.whl#sha256=5afc05084845ef11bba0460b36c0daf28c368e7bce0d938939dce65754e981c6 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-09-12T08:27:59,741 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.3-py3-none-any.whl#sha256=ddee399ee0e61d0cccadeae5afc875dc11566ef2c8047e7933d7598fa65b315b (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-09-12T08:27:59,741 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.2.1-py3-none-any.whl#sha256=11b8af0f553473807a1ffac2a2a461565fa82c7b0bd088d885ce1f516bb4cfe4 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-09-12T08:27:59,742 Skipping link: No binaries permitted for mlatom: 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https://archive1.piwheels.org/simple/mlatom/MLatom-2.1.0-py3-none-any.whl#sha256=283124c03fc4556146ae4d66e225eae461f6fb3e535956412dc45b0911b8d1ad (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-09-12T08:27:59,744 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.5-py3-none-any.whl#sha256=99be07c81afd67d8b018cd28f4f9a333a11e44cac095543690132cb8fc3ab5f6 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-09-12T08:27:59,745 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.4-py3-none-any.whl#sha256=d86d424cf8f8dcb3f19684e1312f1e26f9a92eed8acbfc5106105f135fccc548 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-09-12T08:27:59,745 Skipping link: No binaries permitted for mlatom: 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) 2026-09-12T08:27:59,746 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) 2026-09-12T08:27:59,746 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) 2026-09-12T08:27:59,747 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) 2026-09-12T08:27:59,747 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) 2026-09-12T08:27:59,748 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) 2026-09-12T08:27:59,748 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) 2026-09-12T08:27:59,749 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-09-12T08:27:59,750 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-09-12T08:27:59,777 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-09-12T08:27:59,795 Collecting mlatom==3.25.5 2026-09-12T08:27:59,798 Created temporary directory: /tmp/pip-unpack-2xa81w3h 2026-09-12T08:27:59,947 Downloading mlatom-3.25.5.tar.gz (61.9 MB) 2026-09-12T08:28:08,749 Added mlatom==3.25.5 from https://files.pythonhosted.org/packages/75/04/5fbf10e023897828d8e915b72b01fe41ebeb67c07789e366c32b736e1846/mlatom-3.25.5.tar.gz to build tracker '/tmp/pip-build-tracker-xwsy8gpf' 2026-09-12T08:28:08,751 Running setup.py (path:/tmp/pip-wheel-zw493ydp/mlatom_73e8ecbcbeaf45c2a553e33d989df2e0/setup.py) egg_info for package mlatom 2026-09-12T08:28:08,752 Created temporary directory: /tmp/pip-pip-egg-info-j63wusu3 2026-09-12T08:28:08,753 Preparing metadata (setup.py): started 2026-09-12T08:28:08,754 Running command python setup.py egg_info 2026-09-12T08:28:09,679 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-09-12T08:28:09,680 !! 2026-09-12T08:28:09,681 ******************************************************************************** 2026-09-12T08:28:09,681 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-09-12T08:28:09,682 License :: OSI Approved :: Apache Software License 2026-09-12T08:28:09,683 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-09-12T08:28:09,684 ******************************************************************************** 2026-09-12T08:28:09,685 !! 2026-09-12T08:28:09,685 self._finalize_license_expression() 2026-09-12T08:28:09,709 running egg_info 2026-09-12T08:28:09,736 creating /tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info 2026-09-12T08:28:09,737 writing /tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/PKG-INFO 2026-09-12T08:28:09,741 writing dependency_links to /tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/dependency_links.txt 2026-09-12T08:28:09,742 writing entry points to /tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/entry_points.txt 2026-09-12T08:28:09,744 writing requirements to /tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/requires.txt 2026-09-12T08:28:09,745 writing top-level names to /tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/top_level.txt 2026-09-12T08:28:09,747 writing manifest file '/tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/SOURCES.txt' 2026-09-12T08:28:09,898 reading manifest file '/tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/SOURCES.txt' 2026-09-12T08:28:09,900 adding license file 'LICENSE.txt' 2026-09-12T08:28:09,907 writing manifest file '/tmp/pip-pip-egg-info-j63wusu3/mlatom.egg-info/SOURCES.txt' 2026-09-12T08:28:10,019 Preparing metadata (setup.py): finished with status 'done' 2026-09-12T08:28:10,024 Source in /tmp/pip-wheel-zw493ydp/mlatom_73e8ecbcbeaf45c2a553e33d989df2e0 has version 3.25.5, which satisfies requirement mlatom==3.25.5 from https://files.pythonhosted.org/packages/75/04/5fbf10e023897828d8e915b72b01fe41ebeb67c07789e366c32b736e1846/mlatom-3.25.5.tar.gz 2026-09-12T08:28:10,025 Removed mlatom==3.25.5 from https://files.pythonhosted.org/packages/75/04/5fbf10e023897828d8e915b72b01fe41ebeb67c07789e366c32b736e1846/mlatom-3.25.5.tar.gz from build tracker '/tmp/pip-build-tracker-xwsy8gpf' 2026-09-12T08:28:10,032 Created temporary directory: /tmp/pip-unpack-whv6rdl9 2026-09-12T08:28:10,032 Building wheels for collected packages: mlatom 2026-09-12T08:28:10,037 Created temporary directory: /tmp/pip-wheel-gu3oec3g 2026-09-12T08:28:10,038 Building wheel for mlatom (setup.py): started 2026-09-12T08:28:10,039 Destination directory: /tmp/pip-wheel-gu3oec3g 2026-09-12T08:28:10,039 Running command python setup.py bdist_wheel 2026-09-12T08:28:10,918 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-09-12T08:28:10,918 !! 2026-09-12T08:28:10,919 ******************************************************************************** 2026-09-12T08:28:10,920 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-09-12T08:28:10,921 License :: OSI Approved :: Apache Software License 2026-09-12T08:28:10,923 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-09-12T08:28:10,923 ******************************************************************************** 2026-09-12T08:28:10,925 !! 2026-09-12T08:28:10,925 self._finalize_license_expression() 2026-09-12T08:28:10,926 running bdist_wheel 2026-09-12T08:28:11,053 running build 2026-09-12T08:28:11,054 running build_py 2026-09-12T08:28:11,057 creating build/lib/mlatom 2026-09-12T08:28:11,059 copying src/mlatom/header.py -> build/lib/mlatom 2026-09-12T08:28:11,062 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-09-12T08:28:11,064 copying src/mlatom/log.py -> build/lib/mlatom 2026-09-12T08:28:11,066 copying src/mlatom/doc.py -> build/lib/mlatom 2026-09-12T08:28:11,069 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-09-12T08:28:11,072 copying src/mlatom/dens.py -> build/lib/mlatom 2026-09-12T08:28:11,074 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-09-12T08:28:11,079 copying src/mlatom/_version_static.py -> build/lib/mlatom 2026-09-12T08:28:11,080 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-09-12T08:28:11,083 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-09-12T08:28:11,085 copying src/mlatom/_version.py -> build/lib/mlatom 2026-09-12T08:28:11,087 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-09-12T08:28:11,090 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-09-12T08:28:11,092 copying src/mlatom/universal_mlips.py -> build/lib/mlatom 2026-09-12T08:28:11,094 copying src/mlatom/models.py -> build/lib/mlatom 2026-09-12T08:28:11,097 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-09-12T08:28:11,100 copying src/mlatom/data.py -> build/lib/mlatom 2026-09-12T08:28:11,106 copying src/mlatom/_update_check.py -> build/lib/mlatom 2026-09-12T08:28:11,108 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-09-12T08:28:11,111 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-09-12T08:28:11,113 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-09-12T08:28:11,116 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-09-12T08:28:11,118 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-09-12T08:28:11,121 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-09-12T08:28:11,125 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-09-12T08:28:11,127 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-09-12T08:28:11,129 copying src/mlatom/md.py -> build/lib/mlatom 2026-09-12T08:28:11,132 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-09-12T08:28:11,134 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-09-12T08:28:11,138 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-09-12T08:28:11,140 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-09-12T08:28:11,143 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-09-12T08:28:11,146 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-09-12T08:28:11,148 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-09-12T08:28:11,151 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-09-12T08:28:11,154 copying src/mlatom/plot.py -> build/lib/mlatom 2026-09-12T08:28:11,156 copying src/mlatom/irc.py -> build/lib/mlatom 2026-09-12T08:28:11,159 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-09-12T08:28:11,161 copying src/mlatom/constants.py -> build/lib/mlatom 2026-09-12T08:28:11,163 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-09-12T08:28:11,166 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-09-12T08:28:11,168 copying src/mlatom/utils.py -> build/lib/mlatom 2026-09-12T08:28:11,170 copying src/mlatom/namd.py -> build/lib/mlatom 2026-09-12T08:28:11,174 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-09-12T08:28:11,177 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-09-12T08:28:11,179 copying src/mlatom/al.py -> build/lib/mlatom 2026-09-12T08:28:11,182 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-09-12T08:28:11,185 copying src/mlatom/stats.py -> build/lib/mlatom 2026-09-12T08:28:11,188 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-09-12T08:28:11,190 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-09-12T08:28:11,192 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-09-12T08:28:11,195 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-09-12T08:28:11,197 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-09-12T08:28:11,200 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-09-12T08:28:11,203 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-09-12T08:28:11,205 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-09-12T08:28:11,208 copying src/mlatom/delta_learning.py -> build/lib/mlatom 2026-09-12T08:28:11,210 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-09-12T08:28:11,213 copying src/mlatom/dispersion.py -> build/lib/mlatom 2026-09-12T08:28:11,215 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-09-12T08:28:11,219 creating build/lib/mlatom/interfaces 2026-09-12T08:28:11,220 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,223 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,225 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,227 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,230 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,234 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,236 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,238 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,241 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,244 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,248 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,250 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,253 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,255 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,257 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,260 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,263 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,265 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,268 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,271 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,274 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,276 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,279 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,281 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,284 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-09-12T08:28:11,287 creating build/lib/mlatom/addons 2026-09-12T08:28:11,288 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-09-12T08:28:11,290 creating build/lib/mlatom/mltpa 2026-09-12T08:28:11,291 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-09-12T08:28:11,294 creating build/lib/mlatom/julia 2026-09-12T08:28:11,295 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-09-12T08:28:11,298 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-09-12T08:28:11,300 creating build/lib/mlatom/fortran 2026-09-12T08:28:11,301 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-09-12T08:28:11,303 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-09-12T08:28:11,305 creating build/lib/mlatom/MLatomF_src 2026-09-12T08:28:11,307 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:11,309 creating build/lib/mlatom/mlatom_models 2026-09-12T08:28:11,310 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-09-12T08:28:11,312 creating build/lib/mlatom/addons/aiqm3 2026-09-12T08:28:11,313 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-09-12T08:28:11,316 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-09-12T08:28:11,318 creating build/lib/mlatom/addons/omnip2x 2026-09-12T08:28:11,319 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-09-12T08:28:11,322 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-09-12T08:28:11,325 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-09-12T08:28:11,327 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-09-12T08:28:11,329 creating build/lib/mlatom/addons/uaiqm 2026-09-12T08:28:11,330 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-09-12T08:28:11,332 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-09-12T08:28:11,334 creating build/lib/mlatom/fortran/np2 2026-09-12T08:28:11,335 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-09-12T08:28:11,337 creating build/lib/mlatom/fortran/np1 2026-09-12T08:28:11,338 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-09-12T08:28:11,340 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:11,341 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:11,343 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:11,344 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:11,414 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-09-12T08:28:11,649 copying src/mlatom/ref.json -> build/lib/mlatom 2026-09-12T08:28:11,652 copying src/mlatom/cs.so -> build/lib/mlatom 2026-09-12T08:28:11,655 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-09-12T08:28:13,460 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-09-12T08:28:13,463 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-09-12T08:28:13,500 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-09-12T08:28:13,552 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-09-12T08:28:13,555 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-09-12T08:28:13,557 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-09-12T08:28:13,560 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-09-12T08:28:13,563 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-09-12T08:28:13,565 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-09-12T08:28:13,568 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-09-12T08:28:13,571 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-09-12T08:28:13,573 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,575 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,577 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,580 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,582 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,584 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,587 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,591 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,594 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,598 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,600 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,603 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,606 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,609 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,612 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,614 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,616 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,619 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,621 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,624 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,628 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,631 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,634 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,636 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,638 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-09-12T08:28:13,640 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-09-12T08:28:13,669 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-09-12T08:28:13,698 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,728 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,764 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,795 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,826 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,856 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,886 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,918 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:13,947 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:13,991 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,034 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,072 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,114 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,157 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,198 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,239 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:14,316 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-09-12T08:28:14,317 !! 2026-09-12T08:28:14,318 ******************************************************************************** 2026-09-12T08:28:14,318 Please avoid running ``setup.py`` directly. 2026-09-12T08:28:14,319 Instead, use pypa/build, pypa/installer or other 2026-09-12T08:28:14,319 standards-based tools. 2026-09-12T08:28:14,320 This deprecation is overdue, please update your project and remove deprecated 2026-09-12T08:28:14,321 calls to avoid build errors in the future. 2026-09-12T08:28:14,322 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-09-12T08:28:14,322 ******************************************************************************** 2026-09-12T08:28:14,323 !! 2026-09-12T08:28:14,324 self.initialize_options() 2026-09-12T08:28:14,346 installing to build/bdist.linux-armv7l/wheel 2026-09-12T08:28:14,346 running install 2026-09-12T08:28:14,369 running install_lib 2026-09-12T08:28:14,397 creating build/bdist.linux-armv7l/wheel 2026-09-12T08:28:14,400 creating build/bdist.linux-armv7l/wheel/mlatom 2026-09-12T08:28:14,402 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-09-12T08:28:14,403 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:14,407 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:14,408 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:14,411 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:14,414 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:14,417 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,282 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,284 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,287 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,290 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,292 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,297 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,299 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,302 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,305 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,306 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,309 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,312 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,314 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,317 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,320 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,322 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,325 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,327 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,330 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,333 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-09-12T08:28:15,336 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,338 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,341 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,343 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,345 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,348 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,352 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-09-12T08:28:15,353 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-09-12T08:28:15,355 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-09-12T08:28:15,357 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-09-12T08:28:15,359 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-09-12T08:28:15,361 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-12T08:28:15,363 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-12T08:28:15,367 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-12T08:28:15,369 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-09-12T08:28:15,371 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-09-12T08:28:15,373 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-09-12T08:28:15,374 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-09-12T08:28:15,376 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-09-12T08:28:15,379 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-09-12T08:28:15,380 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-12T08:28:15,382 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-12T08:28:15,384 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-12T08:28:15,418 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-09-12T08:28:15,467 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,470 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,475 copying build/lib/mlatom/_version_static.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,477 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,480 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,482 copying build/lib/mlatom/_version.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,484 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,487 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,490 copying build/lib/mlatom/universal_mlips.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,492 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,495 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,497 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,502 copying build/lib/mlatom/_update_check.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,505 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,508 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,511 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,514 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,517 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,520 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,523 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,526 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,528 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,530 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,532 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,537 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-09-12T08:28:15,538 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,541 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,543 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,545 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,547 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,549 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,551 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-09-12T08:28:15,553 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,555 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,558 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,561 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-09-12T08:28:15,563 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-09-12T08:28:15,564 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-09-12T08:28:15,566 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-09-12T08:28:15,589 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-12T08:28:15,591 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-12T08:28:15,594 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-09-12T08:28:15,595 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-09-12T08:28:15,596 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-09-12T08:28:15,619 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-12T08:28:15,621 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-12T08:28:15,624 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-09-12T08:28:15,625 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,627 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,631 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-09-12T08:28:15,632 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,634 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,636 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,638 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,640 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,642 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,645 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,648 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,650 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,653 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,655 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,659 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,661 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,663 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,665 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,668 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,670 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,672 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,675 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,677 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,679 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,681 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,683 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,685 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,689 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,691 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-09-12T08:28:15,694 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,697 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,699 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,702 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,705 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,707 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,709 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,712 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,714 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,716 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:15,721 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-09-12T08:28:15,722 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,723 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,753 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,790 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,819 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,851 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,880 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,909 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,911 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,944 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-09-12T08:28:15,976 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-09-12T08:28:15,978 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:15,980 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,022 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,074 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,114 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,155 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,202 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,264 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,266 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,306 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-09-12T08:28:16,348 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,351 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,353 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,356 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,359 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,361 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,363 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,366 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,368 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,370 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,373 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,375 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,378 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,380 copying build/lib/mlatom/delta_learning.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,383 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,385 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,602 copying build/lib/mlatom/dispersion.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,605 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-09-12T08:28:16,609 running install_egg_info 2026-09-12T08:28:16,643 running egg_info 2026-09-12T08:28:16,670 writing src/mlatom.egg-info/PKG-INFO 2026-09-12T08:28:16,674 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-09-12T08:28:16,676 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-09-12T08:28:16,678 writing requirements to src/mlatom.egg-info/requires.txt 2026-09-12T08:28:16,679 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-09-12T08:28:16,785 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-09-12T08:28:16,796 adding license file 'LICENSE.txt' 2026-09-12T08:28:16,805 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-09-12T08:28:16,807 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.25.5-py3.11.egg-info 2026-09-12T08:28:16,819 running install_scripts 2026-09-12T08:28:16,833 creating build/bdist.linux-armv7l/wheel/mlatom-3.25.5.dist-info/WHEEL 2026-09-12T08:28:16,836 creating '/tmp/pip-wheel-gu3oec3g/mlatom-3.25.5-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-09-12T08:28:16,843 adding 'mlatom/EEEDDDD.py' 2026-09-12T08:28:16,845 adding 'mlatom/EEEDDDD_descriptor.py' 2026-09-12T08:28:16,846 adding 'mlatom/EEEDDDD_nn.py' 2026-09-12T08:28:16,851 adding 'mlatom/GICnet.py' 2026-09-12T08:28:16,854 adding 'mlatom/MLTPA.py' 2026-09-12T08:28:16,868 adding 'mlatom/ML_NEA.py' 2026-09-12T08:28:16,870 adding 'mlatom/MLatom.py' 2026-09-12T08:28:19,439 adding 'mlatom/MLatomF' 2026-09-12T08:28:19,542 adding 'mlatom/MLtasks.py' 2026-09-12T08:28:19,543 adding 'mlatom/__init__.py' 2026-09-12T08:28:19,545 adding 'mlatom/_update_check.py' 2026-09-12T08:28:19,546 adding 'mlatom/_version.py' 2026-09-12T08:28:19,547 adding 'mlatom/_version_static.py' 2026-09-12T08:28:19,552 adding 'mlatom/aiqm1.py' 2026-09-12T08:28:19,555 adding 'mlatom/aiqm2.py' 2026-09-12T08:28:19,559 adding 'mlatom/al.py' 2026-09-12T08:28:19,569 adding 'mlatom/al_utils.py' 2026-09-12T08:28:19,574 adding 'mlatom/args_class.py' 2026-09-12T08:28:19,575 adding 'mlatom/ccsdtstarcbs.py' 2026-09-12T08:28:19,577 adding 'mlatom/ciopt.py' 2026-09-12T08:28:19,578 adding 'mlatom/composite_methods.py' 2026-09-12T08:28:19,580 adding 'mlatom/constants.py' 2026-09-12T08:28:19,581 adding 'mlatom/conversions.py' 2026-09-12T08:28:19,583 adding 'mlatom/cs.so' 2026-09-12T08:28:19,605 adding 'mlatom/data.py' 2026-09-12T08:28:19,608 adding 'mlatom/decorators.py' 2026-09-12T08:28:19,611 adding 'mlatom/delta_learning.py' 2026-09-12T08:28:19,615 adding 'mlatom/dens.py' 2026-09-12T08:28:19,617 adding 'mlatom/dispersion.py' 2026-09-12T08:28:19,622 adding 'mlatom/doc.py' 2026-09-12T08:28:19,626 adding 'mlatom/functionsGICnet.py' 2026-09-12T08:28:19,628 adding 'mlatom/gap_md.py' 2026-09-12T08:28:19,630 adding 'mlatom/gen_ts_methods.py' 2026-09-12T08:28:19,631 adding 'mlatom/header.py' 2026-09-12T08:28:19,636 adding 'mlatom/initial_conditions.py' 2026-09-12T08:28:19,637 adding 'mlatom/interface_MLatomF.py' 2026-09-12T08:28:19,642 adding 'mlatom/irc.py' 2026-09-12T08:28:19,644 adding 'mlatom/kreg_api.py' 2026-09-12T08:28:19,645 adding 'mlatom/krr_julia.py' 2026-09-12T08:28:19,647 adding 'mlatom/log.py' 2026-09-12T08:28:19,649 adding 'mlatom/md.py' 2026-09-12T08:28:19,650 adding 'mlatom/md2vibr.py' 2026-09-12T08:28:19,653 adding 'mlatom/md2vibr_cmd.py' 2026-09-12T08:28:19,654 adding 'mlatom/md_cmd.py' 2026-09-12T08:28:19,656 adding 'mlatom/md_parallel.py' 2026-09-12T08:28:19,662 adding 'mlatom/mlatom_gui.py' 2026-09-12T08:28:19,669 adding 'mlatom/model_cls.py' 2026-09-12T08:28:19,674 adding 'mlatom/models.py' 2026-09-12T08:28:19,681 adding 'mlatom/namd.py' 2026-09-12T08:28:19,683 adding 'mlatom/omnip1.py' 2026-09-12T08:28:19,686 adding 'mlatom/omnip1_nn.py' 2026-09-12T08:28:19,688 adding 'mlatom/plot.py' 2026-09-12T08:28:19,690 adding 'mlatom/ref.json' 2026-09-12T08:28:19,691 adding 'mlatom/shell_cmd.py' 2026-09-12T08:28:19,697 adding 'mlatom/simulations.py' 2026-09-12T08:28:19,699 adding 'mlatom/sliceData.py' 2026-09-12T08:28:19,705 adding 'mlatom/spectra.py' 2026-09-12T08:28:19,707 adding 'mlatom/stats.py' 2026-09-12T08:28:19,708 adding 'mlatom/stopper.py' 2026-09-12T08:28:19,710 adding 'mlatom/thermostat.py' 2026-09-12T08:28:19,712 adding 'mlatom/universal_mlips.py' 2026-09-12T08:28:19,714 adding 'mlatom/utils.py' 2026-09-12T08:28:19,716 adding 'mlatom/xyz.py' 2026-09-12T08:28:19,723 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-09-12T08:28:19,730 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-09-12T08:28:19,732 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-09-12T08:28:19,733 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-09-12T08:28:19,735 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-09-12T08:28:19,737 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-09-12T08:28:19,738 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-09-12T08:28:19,742 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-09-12T08:28:19,743 adding 'mlatom/MLatomF_src/Makefile' 2026-09-12T08:28:19,744 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-09-12T08:28:19,746 adding 'mlatom/MLatomF_src/__init__.py' 2026-09-12T08:28:19,747 adding 'mlatom/MLatomF_src/analyze.f90' 2026-09-12T08:28:19,748 adding 'mlatom/MLatomF_src/constants.f90' 2026-09-12T08:28:19,750 adding 'mlatom/MLatomF_src/cs.cpp' 2026-09-12T08:28:19,756 adding 'mlatom/MLatomF_src/dataset.f90' 2026-09-12T08:28:19,759 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-09-12T08:28:19,762 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-09-12T08:28:19,768 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-09-12T08:28:19,770 adding 'mlatom/MLatomF_src/precision.f90' 2026-09-12T08:28:19,771 adding 'mlatom/MLatomF_src/recover.sh' 2026-09-12T08:28:19,772 adding 'mlatom/MLatomF_src/sampling.f90' 2026-09-12T08:28:19,775 adding 'mlatom/MLatomF_src/statistics.f90' 2026-09-12T08:28:19,776 adding 'mlatom/MLatomF_src/stopper.f90' 2026-09-12T08:28:19,778 adding 'mlatom/MLatomF_src/strings.f90' 2026-09-12T08:28:19,779 adding 'mlatom/MLatomF_src/timing.f90' 2026-09-12T08:28:19,780 adding 'mlatom/MLatomF_src/types.f90' 2026-09-12T08:28:19,781 adding 'mlatom/addons/__init__.py' 2026-09-12T08:28:19,783 adding 'mlatom/addons/aiqm3/__init__.py' 2026-09-12T08:28:19,784 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-09-12T08:28:19,786 adding 'mlatom/addons/omnip2x/__init__.py' 2026-09-12T08:28:19,788 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-09-12T08:28:19,789 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-09-12T08:28:19,795 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-09-12T08:28:19,797 adding 'mlatom/addons/uaiqm/__init__.py' 2026-09-12T08:28:19,798 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-09-12T08:28:19,801 adding 'mlatom/fortran/KREG.f90' 2026-09-12T08:28:19,802 adding 'mlatom/fortran/__init__.py' 2026-09-12T08:28:19,804 adding 'mlatom/fortran/compile.py' 2026-09-12T08:28:19,805 adding 'mlatom/fortran/mathUtils.f90' 2026-09-12T08:28:19,806 adding 'mlatom/fortran/stopper.f90' 2026-09-12T08:28:20,015 adding 'mlatom/fortran/np1/KREG.so' 2026-09-12T08:28:20,025 adding 'mlatom/fortran/np1/__init__.py' 2026-09-12T08:28:20,238 adding 'mlatom/fortran/np2/KREG.so' 2026-09-12T08:28:20,248 adding 'mlatom/fortran/np2/__init__.py' 2026-09-12T08:28:20,250 adding 'mlatom/interfaces/__init__.py' 2026-09-12T08:28:20,251 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-09-12T08:28:20,254 adding 'mlatom/interfaces/ase_interface.py' 2026-09-12T08:28:20,256 adding 'mlatom/interfaces/columbus_interface.py' 2026-09-12T08:28:20,258 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-09-12T08:28:20,259 adding 'mlatom/interfaces/dftd3_interface.py' 2026-09-12T08:28:20,261 adding 'mlatom/interfaces/dftd4_interface.py' 2026-09-12T08:28:20,264 adding 'mlatom/interfaces/dpmd_interface.py' 2026-09-12T08:28:20,266 adding 'mlatom/interfaces/gap_interface.py' 2026-09-12T08:28:20,267 adding 'mlatom/interfaces/gaussian_external.py' 2026-09-12T08:28:20,274 adding 'mlatom/interfaces/gaussian_interface.py' 2026-09-12T08:28:20,276 adding 'mlatom/interfaces/geometric_interface.py' 2026-09-12T08:28:20,280 adding 'mlatom/interfaces/mace_interface.py' 2026-09-12T08:28:20,282 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-09-12T08:28:20,285 adding 'mlatom/interfaces/mndo_interface.py' 2026-09-12T08:28:20,290 adding 'mlatom/interfaces/orca_interface.py' 2026-09-12T08:28:20,295 adding 'mlatom/interfaces/physnet_interface.py' 2026-09-12T08:28:20,299 adding 'mlatom/interfaces/pyscf_interface.py' 2026-09-12T08:28:20,301 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-09-12T08:28:20,306 adding 'mlatom/interfaces/sgdml_interface.py' 2026-09-12T08:28:20,308 adding 'mlatom/interfaces/sparrow_interface.py' 2026-09-12T08:28:20,309 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-09-12T08:28:20,323 adding 'mlatom/interfaces/torchani_interface.py' 2026-09-12T08:28:20,325 adding 'mlatom/interfaces/turbomole_interface.py' 2026-09-12T08:28:29,169 adding 'mlatom/interfaces/xtb' 2026-09-12T08:28:29,566 adding 'mlatom/interfaces/xtb_interface.py' 2026-09-12T08:28:29,569 adding 'mlatom/julia/KREG.jl' 2026-09-12T08:28:29,570 adding 'mlatom/julia/__init__.py' 2026-09-12T08:28:29,572 adding 'mlatom/julia/kernel_function.jl' 2026-09-12T08:28:29,574 adding 'mlatom/julia/kreg_julia.py' 2026-09-12T08:28:29,576 adding 'mlatom/julia/krr.jl' 2026-09-12T08:28:29,577 adding 'mlatom/julia/mathUtils.jl' 2026-09-12T08:28:29,579 adding 'mlatom/julia/stopper.jl' 2026-09-12T08:28:29,581 adding 'mlatom/mlatom_models/__init__.py' 2026-09-12T08:28:29,583 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-09-12T08:28:29,842 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-09-12T08:28:30,113 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-09-12T08:28:30,383 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-09-12T08:28:30,653 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-09-12T08:28:30,924 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-09-12T08:28:31,194 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-09-12T08:28:31,465 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-09-12T08:28:31,736 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-09-12T08:28:31,750 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-09-12T08:28:32,133 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-09-12T08:28:32,533 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-09-12T08:28:32,933 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-09-12T08:28:33,333 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-09-12T08:28:33,734 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-09-12T08:28:34,215 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-09-12T08:28:34,615 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-09-12T08:28:35,015 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-09-12T08:28:35,034 adding 'mlatom/mltpa/__init__.py' 2026-09-12T08:28:35,036 adding 'mlatom/mltpa/mff.txt' 2026-09-12T08:28:35,639 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-09-12T08:28:36,197 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-09-12T08:28:36,215 adding 'mlatom-3.25.5.dist-info/licenses/LICENSE.txt' 2026-09-12T08:28:36,217 adding 'mlatom-3.25.5.dist-info/METADATA' 2026-09-12T08:28:36,218 adding 'mlatom-3.25.5.dist-info/WHEEL' 2026-09-12T08:28:36,220 adding 'mlatom-3.25.5.dist-info/entry_points.txt' 2026-09-12T08:28:36,221 adding 'mlatom-3.25.5.dist-info/top_level.txt' 2026-09-12T08:28:36,224 adding 'mlatom-3.25.5.dist-info/RECORD' 2026-09-12T08:28:36,237 removing build/bdist.linux-armv7l/wheel 2026-09-12T08:28:36,441 Building wheel for mlatom (setup.py): finished with status 'done' 2026-09-12T08:28:37,740 Created wheel for mlatom: filename=mlatom-3.25.5-py3-none-any.whl size=62082983 sha256=0c56310b27e7a5c58fbb6b16c9fdfea6256bd8a84d2ddaa0b160e5c32d1c465d 2026-09-12T08:28:37,741 Stored in directory: /tmp/pip-ephem-wheel-cache-j1x2d4q4/wheels/be/62/63/825e56833b7003a11c8a70c35ef7a007fdb080634267fd2173 2026-09-12T08:28:37,777 Successfully built mlatom 2026-09-12T08:28:39,205 Removed build tracker: '/tmp/pip-build-tracker-xwsy8gpf'