2026-03-09T10:03:55,513 Created temporary directory: /tmp/pip-ephem-wheel-cache-lu3v5ar2 2026-03-09T10:03:55,514 Created temporary directory: /tmp/pip-build-tracker-iux8xtzm 2026-03-09T10:03:55,515 Initialized build tracking at /tmp/pip-build-tracker-iux8xtzm 2026-03-09T10:03:55,515 Created build tracker: /tmp/pip-build-tracker-iux8xtzm 2026-03-09T10:03:55,516 Entered build tracker: /tmp/pip-build-tracker-iux8xtzm 2026-03-09T10:03:55,516 Created temporary directory: /tmp/pip-wheel-z2u3v8jh 2026-03-09T10:03:55,519 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 2026-03-09T10:03:55,522 Created temporary directory: /tmp/pip-ephem-wheel-cache-kvmv6xxb 2026-03-09T10:03:55,543 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-03-09T10:03:55,546 2 location(s) to search for versions of mlatom: 2026-03-09T10:03:55,546 * https://pypi.org/simple/mlatom/ 2026-03-09T10:03:55,546 * https://www.piwheels.org/simple/mlatom/ 2026-03-09T10:03:55,547 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-03-09T10:03:55,548 Getting page https://pypi.org/simple/mlatom/ 2026-03-09T10:03:55,549 Found index url https://pypi.org/simple 2026-03-09T10:03:55,761 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-03-09T10:03:55,781 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 2026-03-09T10:03:55,782 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 2026-03-09T10:03:55,783 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 2026-03-09T10:03:55,784 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) 2026-03-09T10:03:55,785 Found link https://files.pythonhosted.org/packages/32/a5/4295b7c42d3826ecde0e38d64d1098bf3be284f7ce407d3e0eb0f083c6e8/MLatom-2.0.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.0.0 2026-03-09T10:03:55,786 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/8b/98/0ced50ad3f7e33fb7203c401606d017e3df93815bccf9847a20a65fa371b/MLatom-2.0.1-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-03-09T10:03:55,786 Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/12/1f/f6865f5212f92a4e60bd834b741155a4ee999ee6ef1d16d84514966c42fe/MLatom-2.0.1-py3.7.egg (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-03-09T10:03:55,787 Found link https://files.pythonhosted.org/packages/a9/a4/6c566ae97ee6759b6033352922a96f8b23dab7f1e8b23711b28a3a103b03/MLatom-2.0.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.0.1 2026-03-09T10:03:55,788 Skipping link: No binaries permitted for mlatom: 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2026-03-09T10:03:55,791 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 2026-03-09T10:03:55,792 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) 2026-03-09T10:03:55,793 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 2026-03-09T10:03:55,793 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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2026-03-09T10:03:55,802 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/3c/9a/520c41acf49cbf17b9a228928e99943d79ceb7f4e6777226fe9cb817bb99/MLatom-2.3-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-03-09T10:03:55,803 Found link https://files.pythonhosted.org/packages/62/1d/7ce303a2804c5db6e673009a540eedd42ff5409449113858dec6c174b9dc/MLatom-2.3.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.3 2026-03-09T10:03:55,804 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/07/1f/bea9aa16868588414033765a766d89a1872b072c3da6241c206d896ac098/MLatom-2.3.1-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-03-09T10:03:55,804 Found link https://files.pythonhosted.org/packages/69/e1/b6275c301a62fa6c4e9e46b08d801bca9a8b3bc53d34e757e7f38b177432/MLatom-2.3.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.3.1 2026-03-09T10:03:55,805 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/b9/43/23a61cab7df7f3afe54bf2488638d0fcea1bac7ff019578aa7e838ef305a/MLatom-2.3.2-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-03-09T10:03:55,806 Found link https://files.pythonhosted.org/packages/26/f9/1e1575ff5d9a03db1b5b9273970977e568a5910fb77c662ed40261831be2/MLatom-2.3.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.3.2 2026-03-09T10:03:55,806 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/51/d5/50d532cab2c551ff9768a3481bcae7e9edb661be6a0d761e1ce4cc7dd8c1/MLatom-2.3.3-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:55,807 Found link https://files.pythonhosted.org/packages/c2/b0/9eb768787fd8f66b5f04c761d13ddc2fb622ba6bb6e667f57c65940ade40/MLatom-2.3.3.tar.gz (from 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version: 3.1.0 2026-03-09T10:03:55,814 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/b0/6f/527950a2ea8e17e49b529825b94b3ba45dc6e53409ae15b95222f4630063/mlatom-3.1.1-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:55,814 Found link https://files.pythonhosted.org/packages/37/74/261f728e64dcd9d76f5b8c4b4beeed75051e1fc3e2e8fb04bcd0f8d67fd3/mlatom-3.1.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.1.1 2026-03-09T10:03:55,815 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/f3/eb/14e54a5508a27a5b0e0c9ba131216cae7a0cb65a8283fcbbd042aec5e15d/mlatom-3.2.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:55,816 Found link https://files.pythonhosted.org/packages/f8/c4/3686617422faed58e93c9156c3cf133817dabdc75ee570020955da7e0b7a/mlatom-3.2.0.tar.gz (from 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2026-03-09T10:03:55,822 Found link https://files.pythonhosted.org/packages/a5/b3/380f09149ff02ebbe7110fb61f89bb55fecb2b4a9c15c88f3c8b7aab19d6/mlatom-3.6.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.6.0 2026-03-09T10:03:55,823 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/9b/6b/0805f8acffd174677f9706ad5f5649f5d4f8525051b74e2deb4121e56bcc/mlatom-3.7.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:55,824 Found link https://files.pythonhosted.org/packages/0d/1b/f5ee3dfe159302b184a672578e8391bd3f992aacbd941d96f5a09802ad45/mlatom-3.7.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.7.0 2026-03-09T10:03:55,825 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/74/63/62a3eb0913eb161c9f2ac6041fae7492099e5ef22667e2602f6b5fe2cb7d/mlatom-3.7.1-py3-none-any.whl (from 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2026-03-09T10:03:55,849 Found link https://files.pythonhosted.org/packages/a8/83/ed25934bc2201444da8a3922bed9dca3999740934ba1ba6751bc45569390/mlatom-3.16.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.16.2 2026-03-09T10:03:55,849 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/38/93/5865d59e456c782e7425d3e647f37028efec4c7c5a1edefb0a47ed5e8ca9/mlatom-3.17.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:55,850 Found link https://files.pythonhosted.org/packages/31/cd/7f1982109d177bb1507de6ae717af7eb6490460ce199bbd0f969f7d176c1/mlatom-3.17.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.17.0 2026-03-09T10:03:55,851 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/7b/7d/9e811ca4eed40fb021c490741a3bbe3f84a12cd085e634759f2d870a0ab0/mlatom-3.17.1-py3-none-any.whl (from 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2026-03-09T10:03:55,856 Found link https://files.pythonhosted.org/packages/57/66/478362accbe9fe0ef9ec5f5724e73a9464382c77ed89e08c3ce2ff9091cd/mlatom-3.18.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.18.1 2026-03-09T10:03:55,857 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/0b/91/e9f59e7ecf4d2807a0e8b40b67ceb46e1251e7bcb9c0a8b4810f3ac0c5a6/mlatom-3.18.2-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:55,858 Found link https://files.pythonhosted.org/packages/ef/3c/d641ea29346478a8d321f6bcbcc2e371ec540f3cb0632bd3870832dde4e2/mlatom-3.18.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.18.2 2026-03-09T10:03:55,859 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/36/a7/b1f62d37b67d3529a013984344d71d81289c97d7fe56e4e272f23ee9b35d/mlatom-3.18.3-py3-none-any.whl (from 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2026-03-09T10:03:55,868 Fetching project page and analyzing links: https://www.piwheels.org/simple/mlatom/ 2026-03-09T10:03:55,868 Getting page https://www.piwheels.org/simple/mlatom/ 2026-03-09T10:03:55,870 Found index url https://www.piwheels.org/simple 2026-03-09T10:03:56,032 Fetched page https://www.piwheels.org/simple/mlatom/ as text/html 2026-03-09T10:03:56,047 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/mlatom-3.21.0-py3-none-any.whl#sha256=de2b038cc5caeac02b33f708a2e7e1925d1221538f50700de8b14099f5ed94d0 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:56,048 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/mlatom-3.20.0-py3-none-any.whl#sha256=bd18933dfd70f51d2544912d0de91d54839f904f4c4e25ca48ae73d6b2c8ab87 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.8) 2026-03-09T10:03:56,048 Skipping link: No binaries permitted for mlatom: 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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) 2026-03-09T10:03:56,072 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) 2026-03-09T10:03:56,073 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) 2026-03-09T10:03:56,073 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) 2026-03-09T10:03:56,074 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) 2026-03-09T10:03:56,074 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-03-09T10:03:56,075 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-03-09T10:03:56,100 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-03-09T10:03:56,118 Collecting mlatom==3.22.0 2026-03-09T10:03:56,120 Created temporary directory: /tmp/pip-unpack-469ee1cf 2026-03-09T10:03:56,252 Downloading mlatom-3.22.0.tar.gz (61.6 MB) 2026-03-09T10:04:06,002 Added mlatom==3.22.0 from https://files.pythonhosted.org/packages/6d/70/460a2ded3dc2012635d2dab4b312327610fc9a5ecaa5fb216e9f1fef45e9/mlatom-3.22.0.tar.gz to build tracker '/tmp/pip-build-tracker-iux8xtzm' 2026-03-09T10:04:06,004 Running setup.py (path:/tmp/pip-wheel-z2u3v8jh/mlatom_fcf521cc6b664c74a0481dc530950020/setup.py) egg_info for package mlatom 2026-03-09T10:04:06,005 Created temporary directory: /tmp/pip-pip-egg-info-v7qmymlg 2026-03-09T10:04:06,005 Preparing metadata (setup.py): started 2026-03-09T10:04:06,007 Running command python setup.py egg_info 2026-03-09T10:04:06,898 running egg_info 2026-03-09T10:04:06,924 creating /tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info 2026-03-09T10:04:06,926 writing /tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/PKG-INFO 2026-03-09T10:04:06,929 writing dependency_links to /tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/dependency_links.txt 2026-03-09T10:04:06,931 writing entry points to /tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/entry_points.txt 2026-03-09T10:04:06,932 writing requirements to /tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/requires.txt 2026-03-09T10:04:06,934 writing top-level names to /tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/top_level.txt 2026-03-09T10:04:06,935 writing manifest file '/tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/SOURCES.txt' 2026-03-09T10:04:07,112 reading manifest file '/tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/SOURCES.txt' 2026-03-09T10:04:07,114 adding license file 'LICENSE.txt' 2026-03-09T10:04:07,120 writing manifest file '/tmp/pip-pip-egg-info-v7qmymlg/mlatom.egg-info/SOURCES.txt' 2026-03-09T10:04:07,226 Preparing metadata (setup.py): finished with status 'done' 2026-03-09T10:04:07,231 Source in /tmp/pip-wheel-z2u3v8jh/mlatom_fcf521cc6b664c74a0481dc530950020 has version 3.22.0, which satisfies requirement mlatom==3.22.0 from https://files.pythonhosted.org/packages/6d/70/460a2ded3dc2012635d2dab4b312327610fc9a5ecaa5fb216e9f1fef45e9/mlatom-3.22.0.tar.gz 2026-03-09T10:04:07,232 Removed mlatom==3.22.0 from https://files.pythonhosted.org/packages/6d/70/460a2ded3dc2012635d2dab4b312327610fc9a5ecaa5fb216e9f1fef45e9/mlatom-3.22.0.tar.gz from build tracker '/tmp/pip-build-tracker-iux8xtzm' 2026-03-09T10:04:07,238 Created temporary directory: /tmp/pip-unpack-7oh5mvaf 2026-03-09T10:04:07,239 Building wheels for collected packages: mlatom 2026-03-09T10:04:07,244 Created temporary directory: /tmp/pip-wheel-mrxa5tru 2026-03-09T10:04:07,245 Building wheel for mlatom (setup.py): started 2026-03-09T10:04:07,246 Destination directory: /tmp/pip-wheel-mrxa5tru 2026-03-09T10:04:07,247 Running command python setup.py bdist_wheel 2026-03-09T10:04:08,074 running bdist_wheel 2026-03-09T10:04:08,202 running build 2026-03-09T10:04:08,202 running build_py 2026-03-09T10:04:08,235 creating build/lib/mlatom 2026-03-09T10:04:08,237 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-03-09T10:04:08,239 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-03-09T10:04:08,242 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-03-09T10:04:08,244 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-03-09T10:04:08,248 copying src/mlatom/data.py -> build/lib/mlatom 2026-03-09T10:04:08,253 copying src/mlatom/namd.py -> build/lib/mlatom 2026-03-09T10:04:08,256 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-03-09T10:04:08,258 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-03-09T10:04:08,261 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-03-09T10:04:08,265 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-03-09T10:04:08,267 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-03-09T10:04:08,270 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-03-09T10:04:08,273 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-03-09T10:04:08,275 copying src/mlatom/utils.py -> build/lib/mlatom 2026-03-09T10:04:08,277 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-03-09T10:04:08,280 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-03-09T10:04:08,284 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-03-09T10:04:08,286 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-03-09T10:04:08,289 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-03-09T10:04:08,291 copying src/mlatom/md.py -> build/lib/mlatom 2026-03-09T10:04:08,294 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-03-09T10:04:08,296 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-03-09T10:04:08,300 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-03-09T10:04:08,303 copying src/mlatom/stats.py -> build/lib/mlatom 2026-03-09T10:04:08,305 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-03-09T10:04:08,307 copying src/mlatom/constants.py -> build/lib/mlatom 2026-03-09T10:04:08,309 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-03-09T10:04:08,310 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-03-09T10:04:08,313 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-03-09T10:04:08,315 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-03-09T10:04:08,317 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-03-09T10:04:08,320 copying src/mlatom/irc.py -> build/lib/mlatom 2026-03-09T10:04:08,323 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-03-09T10:04:08,326 copying src/mlatom/log.py -> build/lib/mlatom 2026-03-09T10:04:08,328 copying src/mlatom/doc.py -> build/lib/mlatom 2026-03-09T10:04:08,332 copying src/mlatom/models.py -> build/lib/mlatom 2026-03-09T10:04:08,335 copying src/mlatom/al.py -> build/lib/mlatom 2026-03-09T10:04:08,338 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-03-09T10:04:08,340 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-03-09T10:04:08,343 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-03-09T10:04:08,346 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-03-09T10:04:08,349 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-03-09T10:04:08,351 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-03-09T10:04:08,353 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-03-09T10:04:08,357 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-03-09T10:04:08,359 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-03-09T10:04:08,361 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-03-09T10:04:08,363 copying src/mlatom/dens.py -> build/lib/mlatom 2026-03-09T10:04:08,366 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-03-09T10:04:08,368 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-03-09T10:04:08,370 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-03-09T10:04:08,374 copying src/mlatom/header.py -> build/lib/mlatom 2026-03-09T10:04:08,377 copying src/mlatom/plot.py -> build/lib/mlatom 2026-03-09T10:04:08,379 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-03-09T10:04:08,382 creating build/lib/mlatom/mlatom_models 2026-03-09T10:04:08,383 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-03-09T10:04:08,385 creating build/lib/mlatom/mltpa 2026-03-09T10:04:08,386 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-03-09T10:04:08,388 creating build/lib/mlatom/fortran 2026-03-09T10:04:08,389 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-03-09T10:04:08,391 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-03-09T10:04:08,393 creating build/lib/mlatom/julia 2026-03-09T10:04:08,394 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-03-09T10:04:08,397 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-03-09T10:04:08,399 creating build/lib/mlatom/interfaces 2026-03-09T10:04:08,400 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,403 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,405 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,408 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,409 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,412 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,414 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,416 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,419 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,422 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,425 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,428 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,430 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,433 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,436 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,438 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,440 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,443 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,445 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,447 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,450 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,452 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,454 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,458 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,461 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-03-09T10:04:08,464 creating build/lib/mlatom/addons 2026-03-09T10:04:08,464 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-03-09T10:04:08,466 creating build/lib/mlatom/MLatomF_src 2026-03-09T10:04:08,467 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:08,469 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:08,470 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:08,472 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:08,473 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:08,475 creating build/lib/mlatom/fortran/np2 2026-03-09T10:04:08,476 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-03-09T10:04:08,478 creating build/lib/mlatom/fortran/np1 2026-03-09T10:04:08,479 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-03-09T10:04:08,481 creating build/lib/mlatom/addons/omnip2x 2026-03-09T10:04:08,482 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-03-09T10:04:08,485 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-03-09T10:04:08,488 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-03-09T10:04:08,489 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-03-09T10:04:08,492 creating build/lib/mlatom/addons/uaiqm 2026-03-09T10:04:08,493 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-03-09T10:04:08,495 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-03-09T10:04:08,497 creating build/lib/mlatom/addons/aiqm3 2026-03-09T10:04:08,498 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-03-09T10:04:08,500 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-03-09T10:04:08,571 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-03-09T10:04:08,813 copying src/mlatom/ref.json -> build/lib/mlatom 2026-03-09T10:04:08,816 copying src/mlatom/cs.so -> build/lib/mlatom 2026-03-09T10:04:08,818 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-03-09T10:04:08,821 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-03-09T10:04:08,881 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-03-09T10:04:08,914 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-03-09T10:04:08,917 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-03-09T10:04:08,919 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-03-09T10:04:08,921 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-03-09T10:04:08,924 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-03-09T10:04:08,926 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-03-09T10:04:08,928 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-03-09T10:04:08,930 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-03-09T10:04:08,933 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-03-09T10:04:10,719 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,721 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,725 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,728 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,730 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,732 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,735 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,738 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,741 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,745 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,748 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,750 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,753 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,755 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,757 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,760 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,762 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,764 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,767 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,770 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,772 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,776 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,778 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,780 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,782 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-03-09T10:04:10,784 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,816 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,849 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,878 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,909 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,937 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,967 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:10,997 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,031 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,074 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,114 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,163 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,206 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,248 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,294 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,338 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,381 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-03-09T10:04:11,401 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-03-09T10:04:11,456 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-03-09T10:04:11,456 !! 2026-03-09T10:04:11,457 ******************************************************************************** 2026-03-09T10:04:11,458 Please avoid running ``setup.py`` directly. 2026-03-09T10:04:11,458 Instead, use pypa/build, pypa/installer or other 2026-03-09T10:04:11,458 standards-based tools. 2026-03-09T10:04:11,459 This deprecation is overdue, please update your project and remove deprecated 2026-03-09T10:04:11,460 calls to avoid build errors in the future. 2026-03-09T10:04:11,461 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-03-09T10:04:11,461 ******************************************************************************** 2026-03-09T10:04:11,462 !! 2026-03-09T10:04:11,463 self.initialize_options() 2026-03-09T10:04:11,484 installing to build/bdist.linux-armv7l/wheel 2026-03-09T10:04:11,485 running install 2026-03-09T10:04:11,507 running install_lib 2026-03-09T10:04:11,534 creating build/bdist.linux-armv7l/wheel 2026-03-09T10:04:11,537 creating build/bdist.linux-armv7l/wheel/mlatom 2026-03-09T10:04:11,538 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:11,540 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:11,543 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:11,545 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:11,549 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-03-09T10:04:11,550 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,551 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,581 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,612 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,643 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,691 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,693 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,722 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,751 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,783 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-03-09T10:04:11,819 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,820 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,875 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,922 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:11,964 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:12,004 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:12,006 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:12,047 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:12,088 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:12,130 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-03-09T10:04:12,173 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-03-09T10:04:12,174 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,179 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,183 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,186 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-03-09T10:04:12,187 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-03-09T10:04:12,243 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-03-09T10:04:12,245 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-03-09T10:04:12,279 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-03-09T10:04:12,281 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,283 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,287 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,290 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,292 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,295 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,297 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,299 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,302 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,305 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-03-09T10:04:12,306 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-03-09T10:04:12,309 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-03-09T10:04:12,312 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-03-09T10:04:12,313 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-03-09T10:04:12,315 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-03-09T10:04:12,335 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-03-09T10:04:12,336 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-03-09T10:04:12,338 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-03-09T10:04:12,341 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-03-09T10:04:12,342 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-03-09T10:04:12,344 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-03-09T10:04:12,365 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,367 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,371 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,373 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,375 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,378 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,382 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,384 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,387 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-03-09T10:04:12,388 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,390 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,392 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,394 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,396 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,398 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,400 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-03-09T10:04:12,402 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,404 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,405 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,408 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,410 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,413 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,414 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,417 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,419 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,422 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,425 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,427 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:12,431 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-03-09T10:04:12,432 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:12,435 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:12,437 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:12,440 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:12,442 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:12,444 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:12,447 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,308 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,312 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,315 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,338 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,340 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,342 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,345 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,348 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,350 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,352 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,354 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,357 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,359 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,361 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,364 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,366 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,368 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,373 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,376 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-03-09T10:04:13,378 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,381 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,384 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,386 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,389 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,392 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-03-09T10:04:13,394 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-03-09T10:04:13,395 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-03-09T10:04:13,397 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-03-09T10:04:13,400 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-03-09T10:04:13,402 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-03-09T10:04:13,405 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-03-09T10:04:13,406 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-03-09T10:04:13,408 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-03-09T10:04:13,410 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-03-09T10:04:13,412 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-03-09T10:04:13,413 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-03-09T10:04:13,415 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-03-09T10:04:13,416 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,647 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,650 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,652 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,654 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,657 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,659 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,661 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,664 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,666 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,669 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,671 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,673 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,677 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,680 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-03-09T10:04:13,681 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,683 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,686 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,688 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,690 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,692 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,694 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,697 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,700 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,703 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,707 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,710 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,712 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,714 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,716 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,718 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,720 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,722 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,724 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,726 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,729 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,730 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,732 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,734 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,736 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,739 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-03-09T10:04:13,741 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,743 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-03-09T10:04:13,745 running install_egg_info 2026-03-09T10:04:13,779 running egg_info 2026-03-09T10:04:13,805 writing src/mlatom.egg-info/PKG-INFO 2026-03-09T10:04:13,808 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-03-09T10:04:13,809 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-03-09T10:04:13,811 writing requirements to src/mlatom.egg-info/requires.txt 2026-03-09T10:04:13,812 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-03-09T10:04:13,918 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-03-09T10:04:13,928 adding license file 'LICENSE.txt' 2026-03-09T10:04:13,937 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-03-09T10:04:13,939 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.22.0-py3.11.egg-info 2026-03-09T10:04:13,951 running install_scripts 2026-03-09T10:04:13,965 creating build/bdist.linux-armv7l/wheel/mlatom-3.22.0.dist-info/WHEEL 2026-03-09T10:04:13,968 creating '/tmp/pip-wheel-mrxa5tru/mlatom-3.22.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-03-09T10:04:13,974 adding 'mlatom/EEEDDDD.py' 2026-03-09T10:04:13,976 adding 'mlatom/EEEDDDD_descriptor.py' 2026-03-09T10:04:13,978 adding 'mlatom/EEEDDDD_nn.py' 2026-03-09T10:04:13,982 adding 'mlatom/GICnet.py' 2026-03-09T10:04:13,985 adding 'mlatom/MLTPA.py' 2026-03-09T10:04:13,999 adding 'mlatom/ML_NEA.py' 2026-03-09T10:04:14,001 adding 'mlatom/MLatom.py' 2026-03-09T10:04:16,570 adding 'mlatom/MLatomF' 2026-03-09T10:04:16,671 adding 'mlatom/MLtasks.py' 2026-03-09T10:04:16,673 adding 'mlatom/__init__.py' 2026-03-09T10:04:16,675 adding 'mlatom/aiqm1.py' 2026-03-09T10:04:16,677 adding 'mlatom/aiqm2.py' 2026-03-09T10:04:16,681 adding 'mlatom/al.py' 2026-03-09T10:04:16,692 adding 'mlatom/al_utils.py' 2026-03-09T10:04:16,696 adding 'mlatom/args_class.py' 2026-03-09T10:04:16,698 adding 'mlatom/ccsdtstarcbs.py' 2026-03-09T10:04:16,699 adding 'mlatom/ciopt.py' 2026-03-09T10:04:16,701 adding 'mlatom/composite_methods.py' 2026-03-09T10:04:16,702 adding 'mlatom/constants.py' 2026-03-09T10:04:16,703 adding 'mlatom/conversions.py' 2026-03-09T10:04:16,706 adding 'mlatom/cs.so' 2026-03-09T10:04:16,723 adding 'mlatom/data.py' 2026-03-09T10:04:16,726 adding 'mlatom/decorators.py' 2026-03-09T10:04:16,730 adding 'mlatom/dens.py' 2026-03-09T10:04:16,736 adding 'mlatom/doc.py' 2026-03-09T10:04:16,740 adding 'mlatom/functionsGICnet.py' 2026-03-09T10:04:16,742 adding 'mlatom/gap_md.py' 2026-03-09T10:04:16,743 adding 'mlatom/gen_ts_methods.py' 2026-03-09T10:04:16,745 adding 'mlatom/header.py' 2026-03-09T10:04:16,749 adding 'mlatom/initial_conditions.py' 2026-03-09T10:04:16,751 adding 'mlatom/interface_MLatomF.py' 2026-03-09T10:04:16,755 adding 'mlatom/irc.py' 2026-03-09T10:04:16,757 adding 'mlatom/kreg_api.py' 2026-03-09T10:04:16,758 adding 'mlatom/krr_julia.py' 2026-03-09T10:04:16,760 adding 'mlatom/log.py' 2026-03-09T10:04:16,762 adding 'mlatom/md.py' 2026-03-09T10:04:16,764 adding 'mlatom/md2vibr.py' 2026-03-09T10:04:16,766 adding 'mlatom/md2vibr_cmd.py' 2026-03-09T10:04:16,768 adding 'mlatom/md_cmd.py' 2026-03-09T10:04:16,770 adding 'mlatom/md_parallel.py' 2026-03-09T10:04:16,776 adding 'mlatom/mlatom_gui.py' 2026-03-09T10:04:16,782 adding 'mlatom/model_cls.py' 2026-03-09T10:04:16,787 adding 'mlatom/models.py' 2026-03-09T10:04:16,794 adding 'mlatom/namd.py' 2026-03-09T10:04:16,796 adding 'mlatom/omnip1.py' 2026-03-09T10:04:16,798 adding 'mlatom/omnip1_nn.py' 2026-03-09T10:04:16,799 adding 'mlatom/plot.py' 2026-03-09T10:04:16,801 adding 'mlatom/ref.json' 2026-03-09T10:04:16,803 adding 'mlatom/shell_cmd.py' 2026-03-09T10:04:16,808 adding 'mlatom/simulations.py' 2026-03-09T10:04:16,811 adding 'mlatom/sliceData.py' 2026-03-09T10:04:16,817 adding 'mlatom/spectra.py' 2026-03-09T10:04:16,819 adding 'mlatom/stats.py' 2026-03-09T10:04:16,820 adding 'mlatom/stopper.py' 2026-03-09T10:04:16,822 adding 'mlatom/thermostat.py' 2026-03-09T10:04:16,825 adding 'mlatom/utils.py' 2026-03-09T10:04:16,827 adding 'mlatom/xyz.py' 2026-03-09T10:04:16,834 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-03-09T10:04:16,842 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-03-09T10:04:16,844 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-03-09T10:04:16,845 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-03-09T10:04:16,848 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-03-09T10:04:16,850 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-03-09T10:04:16,852 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-03-09T10:04:16,856 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-03-09T10:04:16,858 adding 'mlatom/MLatomF_src/Makefile' 2026-03-09T10:04:16,860 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-03-09T10:04:16,862 adding 'mlatom/MLatomF_src/__init__.py' 2026-03-09T10:04:16,864 adding 'mlatom/MLatomF_src/analyze.f90' 2026-03-09T10:04:16,866 adding 'mlatom/MLatomF_src/constants.f90' 2026-03-09T10:04:16,868 adding 'mlatom/MLatomF_src/cs.cpp' 2026-03-09T10:04:16,876 adding 'mlatom/MLatomF_src/dataset.f90' 2026-03-09T10:04:16,880 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-03-09T10:04:16,884 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-03-09T10:04:16,893 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-03-09T10:04:16,897 adding 'mlatom/MLatomF_src/precision.f90' 2026-03-09T10:04:16,901 adding 'mlatom/MLatomF_src/recover.sh' 2026-03-09T10:04:16,906 adding 'mlatom/MLatomF_src/sampling.f90' 2026-03-09T10:04:16,911 adding 'mlatom/MLatomF_src/statistics.f90' 2026-03-09T10:04:16,915 adding 'mlatom/MLatomF_src/stopper.f90' 2026-03-09T10:04:16,920 adding 'mlatom/MLatomF_src/strings.f90' 2026-03-09T10:04:16,924 adding 'mlatom/MLatomF_src/timing.f90' 2026-03-09T10:04:16,928 adding 'mlatom/MLatomF_src/types.f90' 2026-03-09T10:04:16,935 adding 'mlatom/addons/__init__.py' 2026-03-09T10:04:16,942 adding 'mlatom/addons/aiqm3/__init__.py' 2026-03-09T10:04:16,947 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-03-09T10:04:16,954 adding 'mlatom/addons/omnip2x/__init__.py' 2026-03-09T10:04:16,957 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-03-09T10:04:16,959 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-03-09T10:04:16,963 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-03-09T10:04:16,966 adding 'mlatom/addons/uaiqm/__init__.py' 2026-03-09T10:04:16,968 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-03-09T10:04:16,971 adding 'mlatom/fortran/KREG.f90' 2026-03-09T10:04:16,973 adding 'mlatom/fortran/__init__.py' 2026-03-09T10:04:16,975 adding 'mlatom/fortran/compile.py' 2026-03-09T10:04:16,977 adding 'mlatom/fortran/mathUtils.f90' 2026-03-09T10:04:16,979 adding 'mlatom/fortran/stopper.f90' 2026-03-09T10:04:17,146 adding 'mlatom/fortran/np1/KREG.so' 2026-03-09T10:04:17,154 adding 'mlatom/fortran/np1/__init__.py' 2026-03-09T10:04:17,321 adding 'mlatom/fortran/np2/KREG.so' 2026-03-09T10:04:17,330 adding 'mlatom/fortran/np2/__init__.py' 2026-03-09T10:04:17,332 adding 'mlatom/interfaces/__init__.py' 2026-03-09T10:04:17,334 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-03-09T10:04:17,337 adding 'mlatom/interfaces/ase_interface.py' 2026-03-09T10:04:17,339 adding 'mlatom/interfaces/columbus_interface.py' 2026-03-09T10:04:17,342 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-03-09T10:04:17,344 adding 'mlatom/interfaces/dftd3_interface.py' 2026-03-09T10:04:17,346 adding 'mlatom/interfaces/dftd4_interface.py' 2026-03-09T10:04:17,349 adding 'mlatom/interfaces/dpmd_interface.py' 2026-03-09T10:04:17,352 adding 'mlatom/interfaces/gap_interface.py' 2026-03-09T10:04:17,354 adding 'mlatom/interfaces/gaussian_external.py' 2026-03-09T10:04:17,359 adding 'mlatom/interfaces/gaussian_interface.py' 2026-03-09T10:04:17,362 adding 'mlatom/interfaces/geometric_interface.py' 2026-03-09T10:04:17,366 adding 'mlatom/interfaces/mace_interface.py' 2026-03-09T10:04:17,369 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-03-09T10:04:17,372 adding 'mlatom/interfaces/mndo_interface.py' 2026-03-09T10:04:17,377 adding 'mlatom/interfaces/orca_interface.py' 2026-03-09T10:04:17,382 adding 'mlatom/interfaces/physnet_interface.py' 2026-03-09T10:04:17,386 adding 'mlatom/interfaces/pyscf_interface.py' 2026-03-09T10:04:17,388 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-03-09T10:04:17,393 adding 'mlatom/interfaces/sgdml_interface.py' 2026-03-09T10:04:17,396 adding 'mlatom/interfaces/sparrow_interface.py' 2026-03-09T10:04:17,397 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-03-09T10:04:17,407 adding 'mlatom/interfaces/torchani_interface.py' 2026-03-09T10:04:17,410 adding 'mlatom/interfaces/turbomole_interface.py' 2026-03-09T10:04:26,220 adding 'mlatom/interfaces/xtb' 2026-03-09T10:04:26,614 adding 'mlatom/interfaces/xtb_interface.py' 2026-03-09T10:04:26,617 adding 'mlatom/julia/KREG.jl' 2026-03-09T10:04:26,618 adding 'mlatom/julia/__init__.py' 2026-03-09T10:04:26,619 adding 'mlatom/julia/kernel_function.jl' 2026-03-09T10:04:26,621 adding 'mlatom/julia/kreg_julia.py' 2026-03-09T10:04:26,623 adding 'mlatom/julia/krr.jl' 2026-03-09T10:04:26,624 adding 'mlatom/julia/mathUtils.jl' 2026-03-09T10:04:26,625 adding 'mlatom/julia/stopper.jl' 2026-03-09T10:04:26,627 adding 'mlatom/mlatom_models/__init__.py' 2026-03-09T10:04:26,628 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-03-09T10:04:26,888 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-03-09T10:04:27,159 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-03-09T10:04:27,428 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-03-09T10:04:27,697 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-03-09T10:04:27,966 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-03-09T10:04:28,238 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-03-09T10:04:28,507 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-03-09T10:04:28,777 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-03-09T10:04:28,790 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-03-09T10:04:29,172 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-03-09T10:04:29,573 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-03-09T10:04:29,973 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-03-09T10:04:30,372 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-03-09T10:04:30,878 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-03-09T10:04:31,276 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-03-09T10:04:31,676 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-03-09T10:04:32,075 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-03-09T10:04:32,093 adding 'mlatom/mltpa/__init__.py' 2026-03-09T10:04:32,096 adding 'mlatom/mltpa/mff.txt' 2026-03-09T10:04:32,697 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-03-09T10:04:33,078 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-03-09T10:04:33,094 adding 'mlatom-3.22.0.dist-info/licenses/LICENSE.txt' 2026-03-09T10:04:33,096 adding 'mlatom-3.22.0.dist-info/METADATA' 2026-03-09T10:04:33,097 adding 'mlatom-3.22.0.dist-info/WHEEL' 2026-03-09T10:04:33,098 adding 'mlatom-3.22.0.dist-info/entry_points.txt' 2026-03-09T10:04:33,099 adding 'mlatom-3.22.0.dist-info/top_level.txt' 2026-03-09T10:04:33,102 adding 'mlatom-3.22.0.dist-info/RECORD' 2026-03-09T10:04:33,603 removing build/bdist.linux-armv7l/wheel 2026-03-09T10:04:33,790 Building wheel for mlatom (setup.py): finished with status 'done' 2026-03-09T10:04:35,397 Created wheel for mlatom: filename=mlatom-3.22.0-py3-none-any.whl size=61817303 sha256=5f5227ce49cf0f489354cceda15490a845cd4e045e247257e376a3a9a23e6144 2026-03-09T10:04:35,399 Stored in directory: /tmp/pip-ephem-wheel-cache-kvmv6xxb/wheels/65/1f/e1/7680aa0d0c226dda5a0640032ec3e5cfccba4e18848cbe21fb 2026-03-09T10:04:35,483 Successfully built mlatom 2026-03-09T10:04:37,077 Removed build tracker: '/tmp/pip-build-tracker-iux8xtzm'