2025-12-28T16:36:18,435 Created temporary directory: /tmp/pip-ephem-wheel-cache-5d4hslsq 2025-12-28T16:36:18,437 Created temporary directory: /tmp/pip-build-tracker-ecfuv91u 2025-12-28T16:36:18,437 Initialized build tracking at /tmp/pip-build-tracker-ecfuv91u 2025-12-28T16:36:18,438 Created build tracker: /tmp/pip-build-tracker-ecfuv91u 2025-12-28T16:36:18,438 Entered build tracker: /tmp/pip-build-tracker-ecfuv91u 2025-12-28T16:36:18,439 Created temporary directory: /tmp/pip-wheel-vkhhpfff 2025-12-28T16:36:18,442 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 2025-12-28T16:36:18,444 Created temporary directory: /tmp/pip-ephem-wheel-cache-cubmh1jz 2025-12-28T16:36:18,468 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-12-28T16:36:18,472 2 location(s) to search for versions of mlatom: 2025-12-28T16:36:18,472 * https://pypi.org/simple/mlatom/ 2025-12-28T16:36:18,472 * https://www.piwheels.org/simple/mlatom/ 2025-12-28T16:36:18,472 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2025-12-28T16:36:18,473 Getting page https://pypi.org/simple/mlatom/ 2025-12-28T16:36:18,474 Found index url https://pypi.org/simple 2025-12-28T16:36:18,771 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2025-12-28T16:36:18,791 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 2025-12-28T16:36:18,792 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 2025-12-28T16:36:18,793 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 2025-12-28T16:36:18,794 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) 2025-12-28T16:36:18,795 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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2025-12-28T16:36:18,802 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 2025-12-28T16:36:18,803 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) 2025-12-28T16:36:18,803 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 2025-12-28T16:36:18,804 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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version: 3.1.0 2025-12-28T16:36:18,825 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) 2025-12-28T16:36:18,826 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 2025-12-28T16:36:18,827 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) 2025-12-28T16:36:18,828 Found link https://files.pythonhosted.org/packages/f8/c4/3686617422faed58e93c9156c3cf133817dabdc75ee570020955da7e0b7a/mlatom-3.2.0.tar.gz (from 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2025-12-28T16:36:18,834 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 2025-12-28T16:36:18,835 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) 2025-12-28T16:36:18,835 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 2025-12-28T16:36:18,836 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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2025-12-28T16:36:18,869 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 2025-12-28T16:36:18,869 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) 2025-12-28T16:36:18,870 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 2025-12-28T16:36:18,871 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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no hashes to check 1 links for project 'mlatom': discarding no candidates 2025-12-28T16:36:19,121 Collecting mlatom==3.20.0 2025-12-28T16:36:19,123 Created temporary directory: /tmp/pip-unpack-2du_mq3b 2025-12-28T16:36:19,342 Downloading mlatom-3.20.0.tar.gz (61.6 MB) 2025-12-28T16:36:32,349 Added mlatom==3.20.0 from https://files.pythonhosted.org/packages/70/2d/96bc9d6e79f78018be9f56b3f59a80a71c4a6f309262391001010c1b2f17/mlatom-3.20.0.tar.gz to build tracker '/tmp/pip-build-tracker-ecfuv91u' 2025-12-28T16:36:32,350 Running setup.py (path:/tmp/pip-wheel-vkhhpfff/mlatom_c0e6c1ce1768461ebea829a78f84751b/setup.py) egg_info for package mlatom 2025-12-28T16:36:32,351 Created temporary directory: /tmp/pip-pip-egg-info-peu6nlpj 2025-12-28T16:36:32,351 Preparing metadata (setup.py): started 2025-12-28T16:36:32,353 Running command python setup.py egg_info 2025-12-28T16:36:33,237 running egg_info 2025-12-28T16:36:33,265 creating /tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info 2025-12-28T16:36:33,266 writing /tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/PKG-INFO 2025-12-28T16:36:33,271 writing dependency_links to /tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/dependency_links.txt 2025-12-28T16:36:33,272 writing entry points to /tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/entry_points.txt 2025-12-28T16:36:33,274 writing requirements to /tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/requires.txt 2025-12-28T16:36:33,275 writing top-level names to /tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/top_level.txt 2025-12-28T16:36:33,277 writing manifest file '/tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/SOURCES.txt' 2025-12-28T16:36:33,463 reading manifest file '/tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/SOURCES.txt' 2025-12-28T16:36:33,465 adding license file 'LICENSE.txt' 2025-12-28T16:36:33,471 writing manifest file '/tmp/pip-pip-egg-info-peu6nlpj/mlatom.egg-info/SOURCES.txt' 2025-12-28T16:36:33,578 Preparing metadata (setup.py): finished with status 'done' 2025-12-28T16:36:33,582 Source in /tmp/pip-wheel-vkhhpfff/mlatom_c0e6c1ce1768461ebea829a78f84751b has version 3.20.0, which satisfies requirement mlatom==3.20.0 from https://files.pythonhosted.org/packages/70/2d/96bc9d6e79f78018be9f56b3f59a80a71c4a6f309262391001010c1b2f17/mlatom-3.20.0.tar.gz 2025-12-28T16:36:33,583 Removed mlatom==3.20.0 from https://files.pythonhosted.org/packages/70/2d/96bc9d6e79f78018be9f56b3f59a80a71c4a6f309262391001010c1b2f17/mlatom-3.20.0.tar.gz from build tracker '/tmp/pip-build-tracker-ecfuv91u' 2025-12-28T16:36:33,590 Created temporary directory: /tmp/pip-unpack-6nlo4x0r 2025-12-28T16:36:33,590 Building wheels for collected packages: mlatom 2025-12-28T16:36:33,595 Created temporary directory: /tmp/pip-wheel-u_cty1by 2025-12-28T16:36:33,596 Building wheel for mlatom (setup.py): started 2025-12-28T16:36:33,597 Destination directory: /tmp/pip-wheel-u_cty1by 2025-12-28T16:36:33,598 Running command python setup.py bdist_wheel 2025-12-28T16:36:34,439 running bdist_wheel 2025-12-28T16:36:34,576 running build 2025-12-28T16:36:34,576 running build_py 2025-12-28T16:36:34,610 creating build/lib/mlatom 2025-12-28T16:36:34,612 copying src/mlatom/utils.py -> build/lib/mlatom 2025-12-28T16:36:34,615 copying src/mlatom/al.py -> build/lib/mlatom 2025-12-28T16:36:34,618 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2025-12-28T16:36:34,621 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2025-12-28T16:36:34,625 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2025-12-28T16:36:34,627 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2025-12-28T16:36:34,630 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2025-12-28T16:36:34,633 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2025-12-28T16:36:34,635 copying src/mlatom/al_utils.py -> build/lib/mlatom 2025-12-28T16:36:34,642 copying src/mlatom/spectra.py -> build/lib/mlatom 2025-12-28T16:36:34,645 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2025-12-28T16:36:34,648 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2025-12-28T16:36:34,652 copying src/mlatom/plot.py -> build/lib/mlatom 2025-12-28T16:36:34,655 copying src/mlatom/model_cls.py -> build/lib/mlatom 2025-12-28T16:36:34,658 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2025-12-28T16:36:34,660 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2025-12-28T16:36:34,662 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2025-12-28T16:36:34,665 copying src/mlatom/doc.py -> build/lib/mlatom 2025-12-28T16:36:34,668 copying src/mlatom/stats.py -> build/lib/mlatom 2025-12-28T16:36:34,670 copying src/mlatom/data.py -> build/lib/mlatom 2025-12-28T16:36:34,676 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2025-12-28T16:36:34,678 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2025-12-28T16:36:34,682 copying src/mlatom/__init__.py -> build/lib/mlatom 2025-12-28T16:36:34,684 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2025-12-28T16:36:34,685 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2025-12-28T16:36:34,687 copying src/mlatom/md.py -> build/lib/mlatom 2025-12-28T16:36:34,690 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2025-12-28T16:36:34,692 copying src/mlatom/thermostat.py -> build/lib/mlatom 2025-12-28T16:36:34,695 copying src/mlatom/xyz.py -> build/lib/mlatom 2025-12-28T16:36:34,697 copying src/mlatom/constants.py -> build/lib/mlatom 2025-12-28T16:36:34,699 copying src/mlatom/log.py -> build/lib/mlatom 2025-12-28T16:36:34,700 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2025-12-28T16:36:34,703 copying src/mlatom/namd.py -> build/lib/mlatom 2025-12-28T16:36:34,707 copying src/mlatom/dens.py -> build/lib/mlatom 2025-12-28T16:36:34,710 copying src/mlatom/models.py -> build/lib/mlatom 2025-12-28T16:36:34,713 copying src/mlatom/decorators.py -> build/lib/mlatom 2025-12-28T16:36:34,715 copying src/mlatom/omnip1.py -> build/lib/mlatom 2025-12-28T16:36:34,717 copying src/mlatom/irc.py -> build/lib/mlatom 2025-12-28T16:36:34,720 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2025-12-28T16:36:34,723 copying src/mlatom/args_class.py -> build/lib/mlatom 2025-12-28T16:36:34,727 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2025-12-28T16:36:34,729 copying src/mlatom/sliceData.py -> build/lib/mlatom 2025-12-28T16:36:34,732 copying src/mlatom/stopper.py -> build/lib/mlatom 2025-12-28T16:36:34,734 copying src/mlatom/ciopt.py -> build/lib/mlatom 2025-12-28T16:36:34,737 copying src/mlatom/GICnet.py -> build/lib/mlatom 2025-12-28T16:36:34,741 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2025-12-28T16:36:34,743 copying src/mlatom/MLatom.py -> build/lib/mlatom 2025-12-28T16:36:34,745 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2025-12-28T16:36:34,747 copying src/mlatom/header.py -> build/lib/mlatom 2025-12-28T16:36:34,750 copying src/mlatom/simulations.py -> build/lib/mlatom 2025-12-28T16:36:34,753 copying src/mlatom/gap_md.py -> build/lib/mlatom 2025-12-28T16:36:34,755 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2025-12-28T16:36:34,762 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2025-12-28T16:36:34,764 copying src/mlatom/conversions.py -> build/lib/mlatom 2025-12-28T16:36:34,766 creating build/lib/mlatom/julia 2025-12-28T16:36:34,767 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2025-12-28T16:36:34,770 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2025-12-28T16:36:34,772 creating build/lib/mlatom/MLatomF_src 2025-12-28T16:36:34,773 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:34,776 creating build/lib/mlatom/mltpa 2025-12-28T16:36:34,777 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2025-12-28T16:36:34,779 creating build/lib/mlatom/fortran 2025-12-28T16:36:34,780 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2025-12-28T16:36:34,782 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2025-12-28T16:36:34,784 creating build/lib/mlatom/mlatom_models 2025-12-28T16:36:34,785 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2025-12-28T16:36:34,787 creating build/lib/mlatom/addons 2025-12-28T16:36:34,788 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2025-12-28T16:36:34,791 creating build/lib/mlatom/interfaces 2025-12-28T16:36:34,792 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,794 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,796 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,798 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,801 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,803 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,805 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,808 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,810 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,812 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,815 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,818 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,820 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,822 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,825 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,827 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,829 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,831 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,834 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,836 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,839 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,841 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,845 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,848 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,851 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2025-12-28T16:36:34,855 creating build/lib/mlatom/fortran/np2 2025-12-28T16:36:34,856 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2025-12-28T16:36:34,858 creating build/lib/mlatom/fortran/np1 2025-12-28T16:36:34,859 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2025-12-28T16:36:34,861 creating build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:34,862 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:34,864 creating build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:34,865 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:34,867 creating build/lib/mlatom/addons/omnip2x 2025-12-28T16:36:34,868 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2025-12-28T16:36:34,871 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2025-12-28T16:36:34,872 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2025-12-28T16:36:34,875 creating build/lib/mlatom/addons/aiqm3 2025-12-28T16:36:34,876 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2025-12-28T16:36:34,878 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2025-12-28T16:36:34,880 creating build/lib/mlatom/addons/uaiqm 2025-12-28T16:36:34,881 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2025-12-28T16:36:34,883 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2025-12-28T16:36:34,955 copying src/mlatom/MLatomF -> build/lib/mlatom 2025-12-28T16:36:35,579 copying src/mlatom/ref.json -> build/lib/mlatom 2025-12-28T16:36:35,582 copying src/mlatom/cs.so -> build/lib/mlatom 2025-12-28T16:36:35,585 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2025-12-28T16:36:35,587 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2025-12-28T16:36:35,589 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2025-12-28T16:36:35,591 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2025-12-28T16:36:35,593 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2025-12-28T16:36:35,596 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,598 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,600 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,604 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,607 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,609 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,611 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,615 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,618 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,620 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,624 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,627 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,632 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,634 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,637 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,640 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,643 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,646 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,649 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,653 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,656 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,658 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,662 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,664 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,667 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2025-12-28T16:36:35,669 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2025-12-28T16:36:35,672 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2025-12-28T16:36:35,724 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2025-12-28T16:36:35,758 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2025-12-28T16:36:35,761 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2025-12-28T16:36:35,764 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2025-12-28T16:36:35,766 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2025-12-28T16:36:37,331 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2025-12-28T16:36:37,352 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2025-12-28T16:36:37,376 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,425 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,468 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,509 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,551 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,593 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,633 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,676 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:37,715 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,753 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,786 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,820 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,868 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,898 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,928 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:37,958 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:38,022 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-12-28T16:36:38,023 !! 2025-12-28T16:36:38,024 ******************************************************************************** 2025-12-28T16:36:38,025 Please avoid running ``setup.py`` directly. 2025-12-28T16:36:38,026 Instead, use pypa/build, pypa/installer or other 2025-12-28T16:36:38,026 standards-based tools. 2025-12-28T16:36:38,027 This deprecation is overdue, please update your project and remove deprecated 2025-12-28T16:36:38,028 calls to avoid build errors in the future. 2025-12-28T16:36:38,029 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-12-28T16:36:38,029 ******************************************************************************** 2025-12-28T16:36:38,031 !! 2025-12-28T16:36:38,031 self.initialize_options() 2025-12-28T16:36:38,051 installing to build/bdist.linux-armv7l/wheel 2025-12-28T16:36:38,052 running install 2025-12-28T16:36:38,079 running install_lib 2025-12-28T16:36:38,109 creating build/bdist.linux-armv7l/wheel 2025-12-28T16:36:38,112 creating build/bdist.linux-armv7l/wheel/mlatom 2025-12-28T16:36:38,113 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,116 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,119 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,121 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,125 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2025-12-28T16:36:38,126 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,128 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,131 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,132 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,134 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,136 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,138 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2025-12-28T16:36:38,141 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,145 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,147 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,150 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,153 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,155 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,159 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,162 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,165 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,168 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,170 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,173 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,175 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,177 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,179 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,182 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,185 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,190 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,193 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,196 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,197 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,199 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,201 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,204 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,206 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,209 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,211 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,213 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,216 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2025-12-28T16:36:38,217 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,219 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,222 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,225 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,227 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,228 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,230 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,233 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,235 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,237 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,240 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,243 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,246 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,249 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,251 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,253 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,255 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,257 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,260 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,262 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,264 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,266 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,268 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,272 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,273 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,275 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2025-12-28T16:36:38,278 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,280 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,284 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,287 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,289 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,291 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,294 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,297 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2025-12-28T16:36:38,298 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2025-12-28T16:36:38,349 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2025-12-28T16:36:38,386 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2025-12-28T16:36:38,388 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2025-12-28T16:36:38,390 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,393 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,396 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,398 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,401 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,675 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,677 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,679 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,682 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,685 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,687 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,690 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,693 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2025-12-28T16:36:38,695 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2025-12-28T16:36:38,697 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2025-12-28T16:36:38,699 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2025-12-28T16:36:38,719 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2025-12-28T16:36:38,722 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2025-12-28T16:36:38,725 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2025-12-28T16:36:38,727 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2025-12-28T16:36:38,729 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2025-12-28T16:36:38,731 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2025-12-28T16:36:38,732 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2025-12-28T16:36:38,734 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2025-12-28T16:36:38,760 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,763 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,767 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,769 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,775 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:38,778 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2025-12-28T16:36:38,780 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:38,781 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:38,849 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:38,905 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:38,947 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:38,949 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:38,991 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:39,033 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:39,074 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:39,123 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2025-12-28T16:36:39,171 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2025-12-28T16:36:39,173 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,174 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,205 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,233 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,264 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,265 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,294 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,323 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,354 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,394 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2025-12-28T16:36:39,423 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2025-12-28T16:36:39,424 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2025-12-28T16:36:39,425 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2025-12-28T16:36:39,427 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2025-12-28T16:36:39,429 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2025-12-28T16:36:39,432 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2025-12-28T16:36:39,433 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2025-12-28T16:36:39,434 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2025-12-28T16:36:39,436 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2025-12-28T16:36:39,438 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2025-12-28T16:36:39,439 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2025-12-28T16:36:39,441 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2025-12-28T16:36:39,443 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2025-12-28T16:36:39,446 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2025-12-28T16:36:39,447 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:39,449 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:39,451 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:39,453 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:39,456 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:39,458 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:39,460 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,369 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,382 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,485 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,488 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,491 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,494 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,497 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,500 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,503 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,506 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,508 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,511 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,514 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,531 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,697 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,700 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,704 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,707 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,710 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2025-12-28T16:36:41,713 running install_egg_info 2025-12-28T16:36:41,748 running egg_info 2025-12-28T16:36:41,776 writing src/mlatom.egg-info/PKG-INFO 2025-12-28T16:36:41,780 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2025-12-28T16:36:41,782 writing entry points to src/mlatom.egg-info/entry_points.txt 2025-12-28T16:36:41,783 writing requirements to src/mlatom.egg-info/requires.txt 2025-12-28T16:36:41,785 writing top-level names to src/mlatom.egg-info/top_level.txt 2025-12-28T16:36:41,913 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2025-12-28T16:36:41,924 adding license file 'LICENSE.txt' 2025-12-28T16:36:41,932 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2025-12-28T16:36:41,934 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.20.0-py3.11.egg-info 2025-12-28T16:36:41,948 running install_scripts 2025-12-28T16:36:41,963 creating build/bdist.linux-armv7l/wheel/mlatom-3.20.0.dist-info/WHEEL 2025-12-28T16:36:41,966 creating '/tmp/pip-wheel-u_cty1by/mlatom-3.20.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-12-28T16:36:41,974 adding 'mlatom/EEEDDDD.py' 2025-12-28T16:36:41,975 adding 'mlatom/EEEDDDD_descriptor.py' 2025-12-28T16:36:41,977 adding 'mlatom/EEEDDDD_nn.py' 2025-12-28T16:36:41,981 adding 'mlatom/GICnet.py' 2025-12-28T16:36:41,984 adding 'mlatom/MLTPA.py' 2025-12-28T16:36:41,998 adding 'mlatom/ML_NEA.py' 2025-12-28T16:36:42,001 adding 'mlatom/MLatom.py' 2025-12-28T16:36:44,604 adding 'mlatom/MLatomF' 2025-12-28T16:36:44,789 adding 'mlatom/MLtasks.py' 2025-12-28T16:36:44,792 adding 'mlatom/__init__.py' 2025-12-28T16:36:44,794 adding 'mlatom/aiqm1.py' 2025-12-28T16:36:44,796 adding 'mlatom/aiqm2.py' 2025-12-28T16:36:44,800 adding 'mlatom/al.py' 2025-12-28T16:36:44,809 adding 'mlatom/al_utils.py' 2025-12-28T16:36:44,813 adding 'mlatom/args_class.py' 2025-12-28T16:36:44,816 adding 'mlatom/ccsdtstarcbs.py' 2025-12-28T16:36:44,818 adding 'mlatom/ciopt.py' 2025-12-28T16:36:44,819 adding 'mlatom/composite_methods.py' 2025-12-28T16:36:44,822 adding 'mlatom/constants.py' 2025-12-28T16:36:44,823 adding 'mlatom/conversions.py' 2025-12-28T16:36:44,826 adding 'mlatom/cs.so' 2025-12-28T16:36:44,844 adding 'mlatom/data.py' 2025-12-28T16:36:44,847 adding 'mlatom/decorators.py' 2025-12-28T16:36:44,851 adding 'mlatom/dens.py' 2025-12-28T16:36:44,857 adding 'mlatom/doc.py' 2025-12-28T16:36:44,861 adding 'mlatom/functionsGICnet.py' 2025-12-28T16:36:44,863 adding 'mlatom/gap_md.py' 2025-12-28T16:36:44,865 adding 'mlatom/gen_ts_methods.py' 2025-12-28T16:36:44,867 adding 'mlatom/header.py' 2025-12-28T16:36:44,872 adding 'mlatom/initial_conditions.py' 2025-12-28T16:36:44,874 adding 'mlatom/interface_MLatomF.py' 2025-12-28T16:36:44,878 adding 'mlatom/irc.py' 2025-12-28T16:36:44,881 adding 'mlatom/kreg_api.py' 2025-12-28T16:36:44,882 adding 'mlatom/krr_julia.py' 2025-12-28T16:36:44,884 adding 'mlatom/log.py' 2025-12-28T16:36:44,887 adding 'mlatom/md.py' 2025-12-28T16:36:44,889 adding 'mlatom/md2vibr.py' 2025-12-28T16:36:44,892 adding 'mlatom/md2vibr_cmd.py' 2025-12-28T16:36:44,894 adding 'mlatom/md_cmd.py' 2025-12-28T16:36:44,896 adding 'mlatom/md_parallel.py' 2025-12-28T16:36:44,903 adding 'mlatom/mlatom_gui.py' 2025-12-28T16:36:44,909 adding 'mlatom/model_cls.py' 2025-12-28T16:36:44,914 adding 'mlatom/models.py' 2025-12-28T16:36:44,922 adding 'mlatom/namd.py' 2025-12-28T16:36:44,924 adding 'mlatom/omnip1.py' 2025-12-28T16:36:44,926 adding 'mlatom/omnip1_nn.py' 2025-12-28T16:36:44,927 adding 'mlatom/plot.py' 2025-12-28T16:36:44,929 adding 'mlatom/ref.json' 2025-12-28T16:36:44,931 adding 'mlatom/shell_cmd.py' 2025-12-28T16:36:44,937 adding 'mlatom/simulations.py' 2025-12-28T16:36:44,940 adding 'mlatom/sliceData.py' 2025-12-28T16:36:44,945 adding 'mlatom/spectra.py' 2025-12-28T16:36:44,948 adding 'mlatom/stats.py' 2025-12-28T16:36:44,949 adding 'mlatom/stopper.py' 2025-12-28T16:36:44,951 adding 'mlatom/thermostat.py' 2025-12-28T16:36:44,954 adding 'mlatom/utils.py' 2025-12-28T16:36:44,955 adding 'mlatom/xyz.py' 2025-12-28T16:36:44,963 adding 'mlatom/MLatomF_src/A_KRR.f90' 2025-12-28T16:36:44,970 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2025-12-28T16:36:44,973 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2025-12-28T16:36:44,974 adding 'mlatom/MLatomF_src/D_ID.f90' 2025-12-28T16:36:44,977 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2025-12-28T16:36:44,979 adding 'mlatom/MLatomF_src/MLatomF.f90' 2025-12-28T16:36:44,980 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2025-12-28T16:36:44,984 adding 'mlatom/MLatomF_src/MLmodel.f90' 2025-12-28T16:36:44,986 adding 'mlatom/MLatomF_src/Makefile' 2025-12-28T16:36:44,988 adding 'mlatom/MLatomF_src/Makefile.intel' 2025-12-28T16:36:44,989 adding 'mlatom/MLatomF_src/__init__.py' 2025-12-28T16:36:44,990 adding 'mlatom/MLatomF_src/analyze.f90' 2025-12-28T16:36:44,992 adding 'mlatom/MLatomF_src/constants.f90' 2025-12-28T16:36:44,993 adding 'mlatom/MLatomF_src/cs.cpp' 2025-12-28T16:36:45,000 adding 'mlatom/MLatomF_src/dataset.f90' 2025-12-28T16:36:45,004 adding 'mlatom/MLatomF_src/mathUtils.f90' 2025-12-28T16:36:45,006 adding 'mlatom/MLatomF_src/molDescr.f90' 2025-12-28T16:36:45,013 adding 'mlatom/MLatomF_src/optionsModule.f90' 2025-12-28T16:36:45,015 adding 'mlatom/MLatomF_src/precision.f90' 2025-12-28T16:36:45,017 adding 'mlatom/MLatomF_src/recover.sh' 2025-12-28T16:36:45,018 adding 'mlatom/MLatomF_src/sampling.f90' 2025-12-28T16:36:45,021 adding 'mlatom/MLatomF_src/statistics.f90' 2025-12-28T16:36:45,023 adding 'mlatom/MLatomF_src/stopper.f90' 2025-12-28T16:36:45,024 adding 'mlatom/MLatomF_src/strings.f90' 2025-12-28T16:36:45,026 adding 'mlatom/MLatomF_src/timing.f90' 2025-12-28T16:36:45,027 adding 'mlatom/MLatomF_src/types.f90' 2025-12-28T16:36:45,029 adding 'mlatom/addons/__init__.py' 2025-12-28T16:36:45,031 adding 'mlatom/addons/aiqm3/__init__.py' 2025-12-28T16:36:45,033 adding 'mlatom/addons/aiqm3/aiqm3.py' 2025-12-28T16:36:45,035 adding 'mlatom/addons/omnip2x/__init__.py' 2025-12-28T16:36:45,036 adding 'mlatom/addons/omnip2x/omnip2x.py' 2025-12-28T16:36:45,038 adding 'mlatom/addons/omnip2x/vecmsani.py' 2025-12-28T16:36:45,040 adding 'mlatom/addons/uaiqm/__init__.py' 2025-12-28T16:36:45,041 adding 'mlatom/addons/uaiqm/uaiqm.py' 2025-12-28T16:36:45,045 adding 'mlatom/fortran/KREG.f90' 2025-12-28T16:36:45,046 adding 'mlatom/fortran/__init__.py' 2025-12-28T16:36:45,048 adding 'mlatom/fortran/compile.py' 2025-12-28T16:36:45,049 adding 'mlatom/fortran/mathUtils.f90' 2025-12-28T16:36:45,051 adding 'mlatom/fortran/stopper.f90' 2025-12-28T16:36:45,218 adding 'mlatom/fortran/np1/KREG.so' 2025-12-28T16:36:45,227 adding 'mlatom/fortran/np1/__init__.py' 2025-12-28T16:36:45,394 adding 'mlatom/fortran/np2/KREG.so' 2025-12-28T16:36:45,403 adding 'mlatom/fortran/np2/__init__.py' 2025-12-28T16:36:45,405 adding 'mlatom/interfaces/__init__.py' 2025-12-28T16:36:45,407 adding 'mlatom/interfaces/aimnet2_interface.py' 2025-12-28T16:36:45,409 adding 'mlatom/interfaces/ase_interface.py' 2025-12-28T16:36:45,412 adding 'mlatom/interfaces/columbus_interface.py' 2025-12-28T16:36:45,414 adding 'mlatom/interfaces/dftbplus_interface.py' 2025-12-28T16:36:45,416 adding 'mlatom/interfaces/dftd3_interface.py' 2025-12-28T16:36:45,418 adding 'mlatom/interfaces/dftd4_interface.py' 2025-12-28T16:36:45,421 adding 'mlatom/interfaces/dpmd_interface.py' 2025-12-28T16:36:45,423 adding 'mlatom/interfaces/gap_interface.py' 2025-12-28T16:36:45,425 adding 'mlatom/interfaces/gaussian_external.py' 2025-12-28T16:36:45,430 adding 'mlatom/interfaces/gaussian_interface.py' 2025-12-28T16:36:45,433 adding 'mlatom/interfaces/geometric_interface.py' 2025-12-28T16:36:45,437 adding 'mlatom/interfaces/mace_interface.py' 2025-12-28T16:36:45,439 adding 'mlatom/interfaces/mace_methods_interface.py' 2025-12-28T16:36:45,442 adding 'mlatom/interfaces/mndo_interface.py' 2025-12-28T16:36:45,445 adding 'mlatom/interfaces/orca_interface.py' 2025-12-28T16:36:45,450 adding 'mlatom/interfaces/physnet_interface.py' 2025-12-28T16:36:45,453 adding 'mlatom/interfaces/pyscf_interface.py' 2025-12-28T16:36:45,455 adding 'mlatom/interfaces/pysisyphus_interface.py' 2025-12-28T16:36:45,461 adding 'mlatom/interfaces/sgdml_interface.py' 2025-12-28T16:36:45,463 adding 'mlatom/interfaces/sparrow_interface.py' 2025-12-28T16:36:45,465 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2025-12-28T16:36:45,475 adding 'mlatom/interfaces/torchani_interface.py' 2025-12-28T16:36:45,478 adding 'mlatom/interfaces/turbomole_interface.py' 2025-12-28T16:36:55,960 adding 'mlatom/interfaces/xtb' 2025-12-28T16:36:56,360 adding 'mlatom/interfaces/xtb_interface.py' 2025-12-28T16:36:56,362 adding 'mlatom/julia/KREG.jl' 2025-12-28T16:36:56,363 adding 'mlatom/julia/__init__.py' 2025-12-28T16:36:56,364 adding 'mlatom/julia/kernel_function.jl' 2025-12-28T16:36:56,366 adding 'mlatom/julia/kreg_julia.py' 2025-12-28T16:36:56,368 adding 'mlatom/julia/krr.jl' 2025-12-28T16:36:56,369 adding 'mlatom/julia/mathUtils.jl' 2025-12-28T16:36:56,370 adding 'mlatom/julia/stopper.jl' 2025-12-28T16:36:56,372 adding 'mlatom/mlatom_models/__init__.py' 2025-12-28T16:36:56,373 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2025-12-28T16:36:56,631 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2025-12-28T16:36:56,901 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2025-12-28T16:36:57,170 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2025-12-28T16:36:57,443 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2025-12-28T16:36:57,712 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2025-12-28T16:36:57,981 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2025-12-28T16:36:58,250 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2025-12-28T16:36:58,522 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2025-12-28T16:36:58,535 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2025-12-28T16:36:58,918 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2025-12-28T16:36:59,317 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2025-12-28T16:36:59,718 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2025-12-28T16:37:00,118 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2025-12-28T16:37:00,516 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2025-12-28T16:37:00,917 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2025-12-28T16:37:01,324 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2025-12-28T16:37:01,773 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2025-12-28T16:37:01,791 adding 'mlatom/mltpa/__init__.py' 2025-12-28T16:37:01,794 adding 'mlatom/mltpa/mff.txt' 2025-12-28T16:37:02,402 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2025-12-28T16:37:02,781 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2025-12-28T16:37:02,797 adding 'mlatom-3.20.0.dist-info/licenses/LICENSE.txt' 2025-12-28T16:37:02,799 adding 'mlatom-3.20.0.dist-info/METADATA' 2025-12-28T16:37:02,800 adding 'mlatom-3.20.0.dist-info/WHEEL' 2025-12-28T16:37:02,801 adding 'mlatom-3.20.0.dist-info/entry_points.txt' 2025-12-28T16:37:02,802 adding 'mlatom-3.20.0.dist-info/top_level.txt' 2025-12-28T16:37:02,805 adding 'mlatom-3.20.0.dist-info/RECORD' 2025-12-28T16:37:03,243 removing build/bdist.linux-armv7l/wheel 2025-12-28T16:37:03,435 Building wheel for mlatom (setup.py): finished with status 'done' 2025-12-28T16:37:04,723 Created wheel for mlatom: filename=mlatom-3.20.0-py3-none-any.whl size=61791660 sha256=bd18933dfd70f51d2544912d0de91d54839f904f4c4e25ca48ae73d6b2c8ab87 2025-12-28T16:37:04,724 Stored in directory: /tmp/pip-ephem-wheel-cache-cubmh1jz/wheels/9a/6d/45/f936e2ca812a41dda29a817f48fa0a91bd2687bc6ad6a0e2b8 2025-12-28T16:37:04,759 Successfully built mlatom 2025-12-28T16:37:06,689 Removed build tracker: '/tmp/pip-build-tracker-ecfuv91u'