2025-01-24T22:18:05,465 Created temporary directory: /tmp/pip-build-tracker-lscxq0y0 2025-01-24T22:18:05,467 Initialized build tracking at /tmp/pip-build-tracker-lscxq0y0 2025-01-24T22:18:05,467 Created build tracker: /tmp/pip-build-tracker-lscxq0y0 2025-01-24T22:18:05,468 Entered build tracker: /tmp/pip-build-tracker-lscxq0y0 2025-01-24T22:18:05,468 Created temporary directory: /tmp/pip-wheel-mxuwevw5 2025-01-24T22:18:05,472 Created temporary directory: /tmp/pip-ephem-wheel-cache-y_slz9t_ 2025-01-24T22:18:05,518 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-01-24T22:18:05,520 2 location(s) to search for versions of geometric: 2025-01-24T22:18:05,520 * https://pypi.org/simple/geometric/ 2025-01-24T22:18:05,520 * https://www.piwheels.org/simple/geometric/ 2025-01-24T22:18:05,521 Fetching project page and analyzing links: https://pypi.org/simple/geometric/ 2025-01-24T22:18:05,522 Getting page https://pypi.org/simple/geometric/ 2025-01-24T22:18:05,523 Found index url https://pypi.org/simple/ 2025-01-24T22:18:05,746 Fetched page https://pypi.org/simple/geometric/ as application/vnd.pypi.simple.v1+json 2025-01-24T22:18:05,751 Found link https://files.pythonhosted.org/packages/e9/77/a4780abe1e809e3ae2346d49e78f6319a3f27e7dd1c079c51a16a25540e4/geometric-0.8.3.tar.gz (from https://pypi.org/simple/geometric/), version: 0.8.3 2025-01-24T22:18:05,751 Found link https://files.pythonhosted.org/packages/29/01/4964331938caa35174aa0496a8af01b2e4ea2ab39bbcd1642ba21042388b/geometric-0.8.6.tar.gz (from https://pypi.org/simple/geometric/), version: 0.8.6 2025-01-24T22:18:05,752 Found link https://files.pythonhosted.org/packages/1e/1e/1ee5ba9e361d80f5418a9f40ec6b2bfeea1d2bd3f44166e06cba874d766d/geometric-0.8.7.tar.gz (from https://pypi.org/simple/geometric/), version: 0.8.7 2025-01-24T22:18:05,753 Found link https://files.pythonhosted.org/packages/a2/cc/9bb09e7166419d72b6ad096a043d5816706b7381711adcbe8eb6d268a79f/geometric-0.8.8.tar.gz (from https://pypi.org/simple/geometric/), version: 0.8.8 2025-01-24T22:18:05,754 Found link https://files.pythonhosted.org/packages/72/b8/da60abfc3a65ba3d261e88e977059ced24cbaf76c56533ffdfd6ac720f40/geometric-0.8.9.tar.gz (from https://pypi.org/simple/geometric/), version: 0.8.9 2025-01-24T22:18:05,754 Found link https://files.pythonhosted.org/packages/88/74/e7afe01713d89c1bbbf74614d34271eb4dda1aca4334022f5d1bcc0669a1/geometric-0.9.0.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.0 2025-01-24T22:18:05,755 Found link https://files.pythonhosted.org/packages/09/3c/49909e306170bea455b643eca3a546cefc6f465e2630caac19d98bd29421/geometric-0.9.1.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.1 2025-01-24T22:18:05,756 Found link https://files.pythonhosted.org/packages/ed/e8/9631e96ec495cf781079b811e64a4fb665a5b8754b76e38e76ff92749ad6/geometric-0.9.2.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.2 2025-01-24T22:18:05,756 Found link https://files.pythonhosted.org/packages/33/88/afa15016a82669b9a9c432fbed31dfa4dc8487b9691ee5d9f1924ee70deb/geometric-0.9.3.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.3 2025-01-24T22:18:05,757 Found link https://files.pythonhosted.org/packages/0b/69/4e81e0255c1f9cd334d98be1543674b42e4b47ddcb08bcce34b11bb1f1d5/geometric-0.9.4.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.4 2025-01-24T22:18:05,758 Found link https://files.pythonhosted.org/packages/52/b5/dfe255ea8a62b9f540860c4a470c5db2b80715c2ce6c544e8854de3e83f6/geometric-0.9.5.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.5 2025-01-24T22:18:05,758 Found link https://files.pythonhosted.org/packages/eb/0e/30eae707c741aecbb806d50139da210eec6f8b56b492f7838c8f43c90034/geometric-0.9.5.1.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.5.1 2025-01-24T22:18:05,759 Found link https://files.pythonhosted.org/packages/0c/73/bedc8394af2e9651e9d7cffac9225f9c022d8107d3bfa8873f1124fd52f3/geometric-0.9.6.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.6 2025-01-24T22:18:05,760 Found link https://files.pythonhosted.org/packages/eb/5c/fc91dcbb44303eb62741c0841251211b416b18e44c53cd49e8d5d7f4b7e1/geometric-0.9.7.1.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.7.1 2025-01-24T22:18:05,760 Found link https://files.pythonhosted.org/packages/be/e7/f0f7f884db650462b633b27c70b5816aa4fa0c689c81e66f7fd2ea823086/geometric-0.9.7.2.tar.gz (from https://pypi.org/simple/geometric/), version: 0.9.7.2 2025-01-24T22:18:05,761 Found link https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz (from https://pypi.org/simple/geometric/), version: 1.0 2025-01-24T22:18:05,762 Found link https://files.pythonhosted.org/packages/cd/6b/88a51a8e00d3c258609440fcf8415ee7fabdc975777b9a1bc4ad4ebcdc75/geometric-1.0.1.tar.gz (from https://pypi.org/simple/geometric/), version: 1.0.1 2025-01-24T22:18:05,762 Found link https://files.pythonhosted.org/packages/88/92/1843b9ecf8f21353e571ce3a3e95f171a08345c7e802ceb7c9a4bbe235c4/geometric-1.0.2.tar.gz (from https://pypi.org/simple/geometric/), version: 1.0.2 2025-01-24T22:18:05,763 Found link https://files.pythonhosted.org/packages/d2/a7/3fc9cab92d664246405bdb9bce2a984c7ebe6e9917c1b44c3a968e2bc980/geometric-1.1.tar.gz (from https://pypi.org/simple/geometric/), version: 1.1 2025-01-24T22:18:05,763 Fetching project page and analyzing links: https://www.piwheels.org/simple/geometric/ 2025-01-24T22:18:05,764 Getting page https://www.piwheels.org/simple/geometric/ 2025-01-24T22:18:05,765 Found index url https://www.piwheels.org/simple/ 2025-01-24T22:18:05,924 Fetched page https://www.piwheels.org/simple/geometric/ as text/html 2025-01-24T22:18:05,930 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-1.0.2-py3-none-any.whl#sha256=46cc36c44342345b7a4330d20279b848416ad6dc734e6d0e9002a9a74b1f2b13 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,930 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-1.0.1-py3-none-any.whl#sha256=fc4577b11d179c37af2751a7e75ec7c50cc991760f369dfc839c8028a3d807d3 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,931 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-1.0-py3-none-any.whl#sha256=16a0cf7affff8367c34fcb92e155b89e24f4cb5bfb6e98af64d045cb63d74da7 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,931 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.7.2-py3-none-any.whl#sha256=2d0a682327577b9e11354edaab96dd6c23d02ba949cac5304ca3174dfc428491 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,932 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.7.1-py3-none-any.whl#sha256=81e3ef62bf68a0150c1ce3203ff8945ca0ba836d2c97874a0cf06a469cd387a9 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,933 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.6-py3-none-any.whl#sha256=1bc1dbe97fe2510d38c64af8a81c321f6acfde996e31edb25f1360963adbc8bc (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,933 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.5.1-py3-none-any.whl#sha256=b336db65708965fe4a41171ec2f0d99d61da1abb61455e0f8d37a0019864752d (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,934 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.5-py3-none-any.whl#sha256=401eca8cdd9316ddf5f0e251c08455ad8313bcd0c679e593afbdb3a38db495c7 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,934 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.4-py3-none-any.whl#sha256=43d35509f85354c731d1a7e05d16c866d38bd7b9eb5cfe3a029095c25e789f5b (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,935 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.3-py3-none-any.whl#sha256=aef5642cde2d21832971a3c3e23eb4f26fd3ced14a27e46667c12e22d6354072 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,936 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.2-py3-none-any.whl#sha256=3319278cfb98695d16cb434321758086172144bcd11995f2dcf6c85207d69b10 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,936 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.1-py3-none-any.whl#sha256=7c530bb654f5f9301d4751a4f46839824976dc65845906835bb7217c3f8ef0f7 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,936 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.9.0-py3-none-any.whl#sha256=732e44f41b3121cca552690b5ea18c3fd7efe5340ed85e7a092f574e956b356e (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,937 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.8.9-py3-none-any.whl#sha256=a92dc34a3f7d3afa4fbf6318dd3158d6197abdb5d1085b2ae12349d0d4221543 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,937 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.8.8-py3-none-any.whl#sha256=388ff8bf1fbc21b77c4887a07023c7954dfabc3339ac79836bc5dfd58590eb79 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,938 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.8.7-py3-none-any.whl#sha256=39abd11579d3f883a03e4207c83409bcff41bffd7f184d314265e64684ff29d7 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,938 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.8.6-py3-none-any.whl#sha256=8f0900297a2e65e37226416d157893f7a371de5adee5632c496bbfa49b2814fd (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,939 Skipping link: No binaries permitted for geometric: https://www.piwheels.org/simple/geometric/geometric-0.8.3-py3-none-any.whl#sha256=9662e97d597f3157ce4629d381fc89f48c96cbd15897ed914f8a47d6f3120009 (from https://www.piwheels.org/simple/geometric/) 2025-01-24T22:18:05,939 Skipping link: not a file: https://www.piwheels.org/simple/geometric/ 2025-01-24T22:18:05,940 Skipping link: not a file: https://pypi.org/simple/geometric/ 2025-01-24T22:18:05,960 Given no hashes to check 1 links for project 'geometric': discarding no candidates 2025-01-24T22:18:05,962 Collecting geometric==1.1 2025-01-24T22:18:05,965 Created temporary directory: /tmp/pip-unpack-jaa5pxzk 2025-01-24T22:18:06,179 Downloading geometric-1.1.tar.gz (386 kB) 2025-01-24T22:18:06,516 Added geometric==1.1 from https://files.pythonhosted.org/packages/d2/a7/3fc9cab92d664246405bdb9bce2a984c7ebe6e9917c1b44c3a968e2bc980/geometric-1.1.tar.gz to build tracker '/tmp/pip-build-tracker-lscxq0y0' 2025-01-24T22:18:06,518 Running setup.py (path:/tmp/pip-wheel-mxuwevw5/geometric_d91fbb989ef14cc4b1aafcd966946da4/setup.py) egg_info for package geometric 2025-01-24T22:18:06,519 Created temporary directory: /tmp/pip-pip-egg-info-z_wet8l1 2025-01-24T22:18:06,520 Preparing metadata (setup.py): started 2025-01-24T22:18:06,521 Running command python setup.py egg_info 2025-01-24T22:18:07,152 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:261: UserWarning: Unknown distribution option: 'tests_require' 2025-01-24T22:18:07,152 warnings.warn(msg) 2025-01-24T22:18:07,153 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:261: UserWarning: Unknown distribution option: 'extra_require' 2025-01-24T22:18:07,153 warnings.warn(msg) 2025-01-24T22:18:07,694 running egg_info 2025-01-24T22:18:07,721 creating /tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info 2025-01-24T22:18:07,722 writing /tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/PKG-INFO 2025-01-24T22:18:07,726 writing dependency_links to /tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/dependency_links.txt 2025-01-24T22:18:07,727 writing entry points to /tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/entry_points.txt 2025-01-24T22:18:07,729 writing requirements to /tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/requires.txt 2025-01-24T22:18:07,730 writing top-level names to /tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/top_level.txt 2025-01-24T22:18:07,732 writing manifest file '/tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/SOURCES.txt' 2025-01-24T22:18:07,797 reading manifest file '/tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/SOURCES.txt' 2025-01-24T22:18:07,798 reading manifest template 'MANIFEST.in' 2025-01-24T22:18:07,928 adding license file 'LICENSE' 2025-01-24T22:18:07,934 writing manifest file '/tmp/pip-pip-egg-info-z_wet8l1/geometric.egg-info/SOURCES.txt' 2025-01-24T22:18:08,044 Preparing metadata (setup.py): finished with status 'done' 2025-01-24T22:18:08,048 Source in /tmp/pip-wheel-mxuwevw5/geometric_d91fbb989ef14cc4b1aafcd966946da4 has version 1.1, which satisfies requirement geometric==1.1 from https://files.pythonhosted.org/packages/d2/a7/3fc9cab92d664246405bdb9bce2a984c7ebe6e9917c1b44c3a968e2bc980/geometric-1.1.tar.gz 2025-01-24T22:18:08,049 Removed geometric==1.1 from https://files.pythonhosted.org/packages/d2/a7/3fc9cab92d664246405bdb9bce2a984c7ebe6e9917c1b44c3a968e2bc980/geometric-1.1.tar.gz from build tracker '/tmp/pip-build-tracker-lscxq0y0' 2025-01-24T22:18:08,054 Created temporary directory: /tmp/pip-unpack-u8co2svz 2025-01-24T22:18:08,055 Created temporary directory: /tmp/pip-unpack-um8zfqv5 2025-01-24T22:18:08,055 Building wheels for collected packages: geometric 2025-01-24T22:18:08,059 Created temporary directory: /tmp/pip-wheel-1l_vu32x 2025-01-24T22:18:08,060 Building wheel for geometric (setup.py): started 2025-01-24T22:18:08,061 Destination directory: /tmp/pip-wheel-1l_vu32x 2025-01-24T22:18:08,062 Running command python setup.py bdist_wheel 2025-01-24T22:18:08,620 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:261: UserWarning: Unknown distribution option: 'tests_require' 2025-01-24T22:18:08,621 warnings.warn(msg) 2025-01-24T22:18:08,621 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:261: UserWarning: Unknown distribution option: 'extra_require' 2025-01-24T22:18:08,622 warnings.warn(msg) 2025-01-24T22:18:09,122 running bdist_wheel 2025-01-24T22:18:09,255 running build 2025-01-24T22:18:09,256 running build_py 2025-01-24T22:18:09,261 creating build/lib/geometric 2025-01-24T22:18:09,263 copying geometric/normal_modes.py -> build/lib/geometric 2025-01-24T22:18:09,267 copying geometric/params.py -> build/lib/geometric 2025-01-24T22:18:09,270 copying geometric/step.py -> build/lib/geometric 2025-01-24T22:18:09,273 copying geometric/optimize.py -> build/lib/geometric 2025-01-24T22:18:09,276 copying geometric/info.py -> build/lib/geometric 2025-01-24T22:18:09,278 copying geometric/engine.py -> build/lib/geometric 2025-01-24T22:18:09,282 copying geometric/internal.py -> build/lib/geometric 2025-01-24T22:18:09,288 copying geometric/molecule.py -> build/lib/geometric 2025-01-24T22:18:09,293 copying geometric/rotate.py -> build/lib/geometric 2025-01-24T22:18:09,297 copying geometric/neb.py -> build/lib/geometric 2025-01-24T22:18:09,301 copying geometric/xml_helper.py -> build/lib/geometric 2025-01-24T22:18:09,302 copying geometric/run_json.py -> build/lib/geometric 2025-01-24T22:18:09,305 copying geometric/nifty.py -> build/lib/geometric 2025-01-24T22:18:09,309 copying geometric/errors.py -> build/lib/geometric 2025-01-24T22:18:09,311 copying geometric/prepare.py -> build/lib/geometric 2025-01-24T22:18:09,313 copying geometric/ase_engine.py -> build/lib/geometric 2025-01-24T22:18:09,316 copying geometric/_version.py -> build/lib/geometric 2025-01-24T22:18:09,318 copying geometric/__init__.py -> build/lib/geometric 2025-01-24T22:18:09,320 copying geometric/PDB.py -> build/lib/geometric 2025-01-24T22:18:09,324 copying geometric/qcf_neb.py -> build/lib/geometric 2025-01-24T22:18:09,327 copying geometric/ic_tools.py -> build/lib/geometric 2025-01-24T22:18:09,332 creating build/lib/geometric/config 2025-01-24T22:18:09,334 copying geometric/config/__init__.py -> build/lib/geometric/config 2025-01-24T22:18:09,339 creating build/lib/geometric/tests 2025-01-24T22:18:09,340 copying geometric/tests/test_ase_engine.py -> build/lib/geometric/tests 2025-01-24T22:18:09,342 copying geometric/tests/test_gaussian.py -> build/lib/geometric/tests 2025-01-24T22:18:09,345 copying geometric/tests/test_prepare.py -> build/lib/geometric/tests 2025-01-24T22:18:09,347 copying geometric/tests/test_minimize.py -> build/lib/geometric/tests 2025-01-24T22:18:09,349 copying geometric/tests/test_internal.py -> build/lib/geometric/tests 2025-01-24T22:18:09,351 copying geometric/tests/test_customengine.py -> build/lib/geometric/tests 2025-01-24T22:18:09,353 copying geometric/tests/test_terachem.py -> build/lib/geometric/tests 2025-01-24T22:18:09,355 copying geometric/tests/test_openmm.py -> build/lib/geometric/tests 2025-01-24T22:18:09,358 copying geometric/tests/test_params.py -> build/lib/geometric/tests 2025-01-24T22:18:09,360 copying geometric/tests/test_irc.py -> build/lib/geometric/tests 2025-01-24T22:18:09,361 copying geometric/tests/test_qcengine.py -> build/lib/geometric/tests 2025-01-24T22:18:09,363 copying geometric/tests/test_nifty.py -> build/lib/geometric/tests 2025-01-24T22:18:09,366 copying geometric/tests/test_rotate.py -> build/lib/geometric/tests 2025-01-24T22:18:09,368 copying geometric/tests/conftest.py -> build/lib/geometric/tests 2025-01-24T22:18:09,370 copying geometric/tests/test_diff.py -> build/lib/geometric/tests 2025-01-24T22:18:09,372 copying geometric/tests/test_batch_opt.py -> build/lib/geometric/tests 2025-01-24T22:18:09,374 copying geometric/tests/addons.py -> build/lib/geometric/tests 2025-01-24T22:18:09,377 copying geometric/tests/test_errors.py -> build/lib/geometric/tests 2025-01-24T22:18:09,379 copying geometric/tests/__init__.py -> build/lib/geometric/tests 2025-01-24T22:18:09,381 copying geometric/tests/test_run_json.py -> build/lib/geometric/tests 2025-01-24T22:18:09,383 copying geometric/tests/test_cfour.py -> build/lib/geometric/tests 2025-01-24T22:18:09,385 copying geometric/tests/test_molecule.py -> build/lib/geometric/tests 2025-01-24T22:18:09,388 copying geometric/tests/test_hessian.py -> build/lib/geometric/tests 2025-01-24T22:18:09,390 copying geometric/tests/test_transition.py -> build/lib/geometric/tests 2025-01-24T22:18:09,392 copying geometric/tests/test_neb.py -> build/lib/geometric/tests 2025-01-24T22:18:09,394 running egg_info 2025-01-24T22:18:09,422 writing geometric.egg-info/PKG-INFO 2025-01-24T22:18:09,425 writing dependency_links to geometric.egg-info/dependency_links.txt 2025-01-24T22:18:09,427 writing entry points to geometric.egg-info/entry_points.txt 2025-01-24T22:18:09,428 writing requirements to geometric.egg-info/requires.txt 2025-01-24T22:18:09,429 writing top-level names to geometric.egg-info/top_level.txt 2025-01-24T22:18:09,465 reading manifest file 'geometric.egg-info/SOURCES.txt' 2025-01-24T22:18:09,473 reading manifest template 'MANIFEST.in' 2025-01-24T22:18:09,610 adding license file 'LICENSE' 2025-01-24T22:18:09,618 writing manifest file 'geometric.egg-info/SOURCES.txt' 2025-01-24T22:18:09,620 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'geometric.data' is absent from the `packages` configuration. 2025-01-24T22:18:09,621 !! 2025-01-24T22:18:09,622 ******************************************************************************** 2025-01-24T22:18:09,623 ############################ 2025-01-24T22:18:09,623 # Package would be ignored # 2025-01-24T22:18:09,624 ############################ 2025-01-24T22:18:09,625 Python recognizes 'geometric.data' as an importable package[^1], 2025-01-24T22:18:09,625 but it is absent from setuptools' `packages` configuration. 2025-01-24T22:18:09,626 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-24T22:18:09,626 package, please make sure that 'geometric.data' is explicitly added 2025-01-24T22:18:09,627 to the `packages` configuration field. 2025-01-24T22:18:09,628 Alternatively, you can also rely on setuptools' discovery methods 2025-01-24T22:18:09,628 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-24T22:18:09,629 instead of `find_packages(...)`/`find:`). 2025-01-24T22:18:09,629 You can read more about "package discovery" on setuptools documentation page: 2025-01-24T22:18:09,630 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-24T22:18:09,631 If you don't want 'geometric.data' to be distributed and are 2025-01-24T22:18:09,632 already explicitly excluding 'geometric.data' via 2025-01-24T22:18:09,632 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-24T22:18:09,633 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-24T22:18:09,633 combination with a more fine grained `package-data` configuration. 2025-01-24T22:18:09,634 You can read more about "package data files" on setuptools documentation page: 2025-01-24T22:18:09,635 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-24T22:18:09,636 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-24T22:18:09,637 even if it does not contain any `.py` files. 2025-01-24T22:18:09,637 On the other hand, currently there is no concept of package data 2025-01-24T22:18:09,638 directory, all directories are treated like packages. 2025-01-24T22:18:09,638 ******************************************************************************** 2025-01-24T22:18:09,639 !! 2025-01-24T22:18:09,640 check.warn(importable) 2025-01-24T22:18:09,640 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'geometric.data.ethane_qmmm_terachem_openmm' is absent from the `packages` configuration. 2025-01-24T22:18:09,641 !! 2025-01-24T22:18:09,642 ******************************************************************************** 2025-01-24T22:18:09,642 ############################ 2025-01-24T22:18:09,643 # Package would be ignored # 2025-01-24T22:18:09,643 ############################ 2025-01-24T22:18:09,644 Python recognizes 'geometric.data.ethane_qmmm_terachem_openmm' as an importable package[^1], 2025-01-24T22:18:09,645 but it is absent from setuptools' `packages` configuration. 2025-01-24T22:18:09,646 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-24T22:18:09,646 package, please make sure that 'geometric.data.ethane_qmmm_terachem_openmm' is explicitly added 2025-01-24T22:18:09,646 to the `packages` configuration field. 2025-01-24T22:18:09,647 Alternatively, you can also rely on setuptools' discovery methods 2025-01-24T22:18:09,648 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-24T22:18:09,649 instead of `find_packages(...)`/`find:`). 2025-01-24T22:18:09,650 You can read more about "package discovery" on setuptools documentation page: 2025-01-24T22:18:09,651 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-24T22:18:09,652 If you don't want 'geometric.data.ethane_qmmm_terachem_openmm' to be distributed and are 2025-01-24T22:18:09,652 already explicitly excluding 'geometric.data.ethane_qmmm_terachem_openmm' via 2025-01-24T22:18:09,653 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-24T22:18:09,653 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-24T22:18:09,654 combination with a more fine grained `package-data` configuration. 2025-01-24T22:18:09,654 You can read more about "package data files" on setuptools documentation page: 2025-01-24T22:18:09,655 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-24T22:18:09,656 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-24T22:18:09,657 even if it does not contain any `.py` files. 2025-01-24T22:18:09,657 On the other hand, currently there is no concept of package data 2025-01-24T22:18:09,658 directory, all directories are treated like packages. 2025-01-24T22:18:09,658 ******************************************************************************** 2025-01-24T22:18:09,659 !! 2025-01-24T22:18:09,659 check.warn(importable) 2025-01-24T22:18:09,660 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' is absent from the `packages` configuration. 2025-01-24T22:18:09,660 !! 2025-01-24T22:18:09,661 ******************************************************************************** 2025-01-24T22:18:09,661 ############################ 2025-01-24T22:18:09,662 # Package would be ignored # 2025-01-24T22:18:09,662 ############################ 2025-01-24T22:18:09,663 Python recognizes 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' as an importable package[^1], 2025-01-24T22:18:09,663 but it is absent from setuptools' `packages` configuration. 2025-01-24T22:18:09,664 This leads to an ambiguous overall configuration. If you want to distribute this 2025-01-24T22:18:09,664 package, please make sure that 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' is explicitly added 2025-01-24T22:18:09,665 to the `packages` configuration field. 2025-01-24T22:18:09,666 Alternatively, you can also rely on setuptools' discovery methods 2025-01-24T22:18:09,666 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-01-24T22:18:09,667 instead of `find_packages(...)`/`find:`). 2025-01-24T22:18:09,668 You can read more about "package discovery" on setuptools documentation page: 2025-01-24T22:18:09,669 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-01-24T22:18:09,670 If you don't want 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' to be distributed and are 2025-01-24T22:18:09,671 already explicitly excluding 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' via 2025-01-24T22:18:09,671 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-01-24T22:18:09,672 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-01-24T22:18:09,672 combination with a more fine grained `package-data` configuration. 2025-01-24T22:18:09,673 You can read more about "package data files" on setuptools documentation page: 2025-01-24T22:18:09,674 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-01-24T22:18:09,676 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-01-24T22:18:09,676 even if it does not contain any `.py` files. 2025-01-24T22:18:09,677 On the other hand, currently there is no concept of package data 2025-01-24T22:18:09,677 directory, all directories are treated like packages. 2025-01-24T22:18:09,678 ******************************************************************************** 2025-01-24T22:18:09,679 !! 2025-01-24T22:18:09,680 check.warn(importable) 2025-01-24T22:18:09,680 creating build/lib/geometric/data 2025-01-24T22:18:09,680 copying geometric/data/adamantane.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,681 copying geometric/data/ala.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,681 copying geometric/data/ala_a99sb_min.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,682 copying geometric/data/ala_constraints.txt -> build/lib/geometric/data 2025-01-24T22:18:09,682 copying geometric/data/alaglu.gro -> build/lib/geometric/data 2025-01-24T22:18:09,682 copying geometric/data/assort.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,683 copying geometric/data/bicyclo222octane.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,683 copying geometric/data/bucky-argmin-indices.txt -> build/lib/geometric/data 2025-01-24T22:18:09,684 copying geometric/data/bucky-energies.txt -> build/lib/geometric/data 2025-01-24T22:18:09,684 copying geometric/data/c60.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,684 copying geometric/data/captan.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,685 copying geometric/data/captan.xml -> build/lib/geometric/data 2025-01-24T22:18:09,685 copying geometric/data/cholesterol.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,686 copying geometric/data/chromophore.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,686 copying geometric/data/coronene.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,687 copying geometric/data/cubane.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,687 copying geometric/data/ethanol.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,688 copying geometric/data/ethanol.xml -> build/lib/geometric/data 2025-01-24T22:18:09,688 copying geometric/data/fenestradiene.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,691 copying geometric/data/h2o2_h2o.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,693 copying geometric/data/h2o2_h2o_system.xml -> build/lib/geometric/data 2025-01-24T22:18:09,695 copying geometric/data/hcn_irc_input.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,697 copying geometric/data/hcn_minimized.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,699 copying geometric/data/hcn_neb_input.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,702 copying geometric/data/hcn_neb_service.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,704 copying geometric/data/hcn_ts_optim.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,706 copying geometric/data/hcn_ts_optim_xtb.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,708 copying geometric/data/hcn_tsguess.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,710 copying geometric/data/hcn_tsguess_hessian.txt -> build/lib/geometric/data 2025-01-24T22:18:09,712 copying geometric/data/linalg_torsion_constraints.txt -> build/lib/geometric/data 2025-01-24T22:18:09,714 copying geometric/data/naphthax.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,717 copying geometric/data/neu5ac.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,719 copying geometric/data/parser_options.txt -> build/lib/geometric/data 2025-01-24T22:18:09,722 copying geometric/data/porphin.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,724 copying geometric/data/propynimine-ts-optimized.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,727 copying geometric/data/propynimine-tsguess-hessian.txt -> build/lib/geometric/data 2025-01-24T22:18:09,729 copying geometric/data/randn_1k.txt -> build/lib/geometric/data 2025-01-24T22:18:09,732 copying geometric/data/reaction_000_deci.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,736 copying geometric/data/spc216.gro -> build/lib/geometric/data 2025-01-24T22:18:09,739 copying geometric/data/tetrahedrane.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,742 copying geometric/data/triclinic.gro -> build/lib/geometric/data 2025-01-24T22:18:09,745 copying geometric/data/vancomycin.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,747 copying geometric/data/water12.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,750 copying geometric/data/water12.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,752 copying geometric/data/water1_coords_gfn2-xtb.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,754 copying geometric/data/water2.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,756 copying geometric/data/water2_centroid.txt -> build/lib/geometric/data 2025-01-24T22:18:09,758 copying geometric/data/water3.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,760 copying geometric/data/water5.xyz -> build/lib/geometric/data 2025-01-24T22:18:09,762 copying geometric/data/water6.pdb -> build/lib/geometric/data 2025-01-24T22:18:09,765 creating build/lib/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:09,766 copying geometric/data/ethane_qmmm_terachem_openmm/ethane.pdb -> build/lib/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:09,768 copying geometric/data/ethane_qmmm_terachem_openmm/mmindices.txt -> build/lib/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:09,770 copying geometric/data/ethane_qmmm_terachem_openmm/qmindices.txt -> build/lib/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:09,772 copying geometric/data/ethane_qmmm_terachem_openmm/state.xml -> build/lib/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:09,774 copying geometric/data/ethane_qmmm_terachem_openmm/system.xml -> build/lib/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:09,777 creating build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:09,778 copying geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/convert.py -> build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:09,780 copying geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/ethane.pdb -> build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:09,782 copying geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/ethane.xml -> build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:09,785 copying geometric/config/log.ini -> build/lib/geometric/config 2025-01-24T22:18:09,787 copying geometric/config/logConsole.ini -> build/lib/geometric/config 2025-01-24T22:18:09,789 copying geometric/config/logJson.ini -> build/lib/geometric/config 2025-01-24T22:18:09,793 UPDATING build/lib/geometric/_version.py 2025-01-24T22:18:09,794 set build/lib/geometric/_version.py to '1.1' 2025-01-24T22:18:09,829 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-01-24T22:18:09,830 !! 2025-01-24T22:18:09,831 ******************************************************************************** 2025-01-24T22:18:09,831 Please avoid running ``setup.py`` directly. 2025-01-24T22:18:09,832 Instead, use pypa/build, pypa/installer or other 2025-01-24T22:18:09,833 standards-based tools. 2025-01-24T22:18:09,834 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-01-24T22:18:09,834 ******************************************************************************** 2025-01-24T22:18:09,835 !! 2025-01-24T22:18:09,836 self.initialize_options() 2025-01-24T22:18:09,857 installing to build/bdist.linux-armv7l/wheel 2025-01-24T22:18:09,858 running install 2025-01-24T22:18:09,882 running install_lib 2025-01-24T22:18:09,910 creating build/bdist.linux-armv7l/wheel 2025-01-24T22:18:09,912 creating build/bdist.linux-armv7l/wheel/geometric 2025-01-24T22:18:09,914 copying build/lib/geometric/normal_modes.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,917 copying build/lib/geometric/params.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,919 copying build/lib/geometric/step.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,923 copying build/lib/geometric/optimize.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,926 copying build/lib/geometric/info.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,929 creating build/bdist.linux-armv7l/wheel/geometric/config 2025-01-24T22:18:09,930 copying build/lib/geometric/config/logJson.ini -> build/bdist.linux-armv7l/wheel/./geometric/config 2025-01-24T22:18:09,933 copying build/lib/geometric/config/logConsole.ini -> build/bdist.linux-armv7l/wheel/./geometric/config 2025-01-24T22:18:09,934 copying build/lib/geometric/config/__init__.py -> build/bdist.linux-armv7l/wheel/./geometric/config 2025-01-24T22:18:09,936 copying build/lib/geometric/config/log.ini -> build/bdist.linux-armv7l/wheel/./geometric/config 2025-01-24T22:18:09,938 copying build/lib/geometric/engine.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,942 copying build/lib/geometric/internal.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,947 copying build/lib/geometric/molecule.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,953 copying build/lib/geometric/rotate.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,955 copying build/lib/geometric/neb.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,959 copying build/lib/geometric/xml_helper.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,961 copying build/lib/geometric/run_json.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,963 copying build/lib/geometric/nifty.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:09,969 creating build/bdist.linux-armv7l/wheel/geometric/data 2025-01-24T22:18:09,970 copying build/lib/geometric/data/ala_a99sb_min.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,972 copying build/lib/geometric/data/water1_coords_gfn2-xtb.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,973 copying build/lib/geometric/data/fenestradiene.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,975 copying build/lib/geometric/data/hcn_ts_optim_xtb.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,978 copying build/lib/geometric/data/ethanol.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,979 copying build/lib/geometric/data/randn_1k.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,982 copying build/lib/geometric/data/h2o2_h2o.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,984 copying build/lib/geometric/data/vancomycin.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,986 copying build/lib/geometric/data/coronene.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,988 copying build/lib/geometric/data/water2.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,990 copying build/lib/geometric/data/alaglu.gro -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,991 copying build/lib/geometric/data/h2o2_h2o_system.xml -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,993 copying build/lib/geometric/data/hcn_neb_input.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,995 copying build/lib/geometric/data/propynimine-tsguess-hessian.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,997 copying build/lib/geometric/data/cholesterol.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:09,999 copying build/lib/geometric/data/porphin.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,002 creating build/bdist.linux-armv7l/wheel/geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:10,003 creating build/bdist.linux-armv7l/wheel/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:10,005 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/ethane.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:10,007 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/ethane.xml -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:10,009 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/convert.py -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml 2025-01-24T22:18:10,010 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/ethane.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:10,012 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/system.xml -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:10,015 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/mmindices.txt -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:10,017 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/qmindices.txt -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:10,018 copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/state.xml -> build/bdist.linux-armv7l/wheel/./geometric/data/ethane_qmmm_terachem_openmm 2025-01-24T22:18:10,020 copying build/lib/geometric/data/bucky-argmin-indices.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,022 copying build/lib/geometric/data/ethanol.xml -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,024 copying build/lib/geometric/data/adamantane.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,026 copying build/lib/geometric/data/water12.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,028 copying build/lib/geometric/data/tetrahedrane.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,029 copying build/lib/geometric/data/reaction_000_deci.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,032 copying build/lib/geometric/data/water6.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,034 copying build/lib/geometric/data/hcn_tsguess.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,036 copying build/lib/geometric/data/propynimine-ts-optimized.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,038 copying build/lib/geometric/data/bucky-energies.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,040 copying build/lib/geometric/data/hcn_neb_service.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,042 copying build/lib/geometric/data/neu5ac.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,044 copying build/lib/geometric/data/water5.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,045 copying build/lib/geometric/data/naphthax.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,047 copying build/lib/geometric/data/parser_options.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,049 copying build/lib/geometric/data/hcn_minimized.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,051 copying build/lib/geometric/data/hcn_tsguess_hessian.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,053 copying build/lib/geometric/data/linalg_torsion_constraints.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,054 copying build/lib/geometric/data/captan.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,057 copying build/lib/geometric/data/cubane.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,058 copying build/lib/geometric/data/triclinic.gro -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,061 copying build/lib/geometric/data/ala.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,063 copying build/lib/geometric/data/chromophore.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,064 copying build/lib/geometric/data/captan.xml -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,067 copying build/lib/geometric/data/bicyclo222octane.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,069 copying build/lib/geometric/data/water3.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,070 copying build/lib/geometric/data/water12.pdb -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,072 copying build/lib/geometric/data/spc216.gro -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,075 copying build/lib/geometric/data/hcn_irc_input.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,077 copying build/lib/geometric/data/ala_constraints.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,079 copying build/lib/geometric/data/c60.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,080 copying build/lib/geometric/data/water2_centroid.txt -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,082 copying build/lib/geometric/data/assort.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,084 copying build/lib/geometric/data/hcn_ts_optim.xyz -> build/bdist.linux-armv7l/wheel/./geometric/data 2025-01-24T22:18:10,085 copying build/lib/geometric/errors.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,087 copying build/lib/geometric/prepare.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,090 copying build/lib/geometric/ase_engine.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,093 copying build/lib/geometric/_version.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,095 copying build/lib/geometric/__init__.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,097 copying build/lib/geometric/PDB.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,103 creating build/bdist.linux-armv7l/wheel/geometric/tests 2025-01-24T22:18:10,107 copying build/lib/geometric/tests/test_ase_engine.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,112 copying build/lib/geometric/tests/test_gaussian.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,114 copying build/lib/geometric/tests/test_prepare.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,116 copying build/lib/geometric/tests/test_minimize.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,118 copying build/lib/geometric/tests/test_internal.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,119 copying build/lib/geometric/tests/test_customengine.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,121 copying build/lib/geometric/tests/test_terachem.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,124 copying build/lib/geometric/tests/test_openmm.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,126 copying build/lib/geometric/tests/test_params.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,128 copying build/lib/geometric/tests/test_irc.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,130 copying build/lib/geometric/tests/test_qcengine.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,131 copying build/lib/geometric/tests/test_nifty.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,134 copying build/lib/geometric/tests/test_rotate.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,136 copying build/lib/geometric/tests/conftest.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,138 copying build/lib/geometric/tests/test_diff.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,139 copying build/lib/geometric/tests/test_batch_opt.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,142 copying build/lib/geometric/tests/addons.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,144 copying build/lib/geometric/tests/test_errors.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,146 copying build/lib/geometric/tests/__init__.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,147 copying build/lib/geometric/tests/test_run_json.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,150 copying build/lib/geometric/tests/test_cfour.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,151 copying build/lib/geometric/tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,154 copying build/lib/geometric/tests/test_hessian.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,156 copying build/lib/geometric/tests/test_transition.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,159 copying build/lib/geometric/tests/test_neb.py -> build/bdist.linux-armv7l/wheel/./geometric/tests 2025-01-24T22:18:10,161 copying build/lib/geometric/qcf_neb.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,163 copying build/lib/geometric/ic_tools.py -> build/bdist.linux-armv7l/wheel/./geometric 2025-01-24T22:18:10,166 running install_egg_info 2025-01-24T22:18:10,203 Copying geometric.egg-info to build/bdist.linux-armv7l/wheel/./geometric-1.1-py3.11.egg-info 2025-01-24T22:18:10,215 running install_scripts 2025-01-24T22:18:10,232 creating build/bdist.linux-armv7l/wheel/geometric-1.1.dist-info/WHEEL 2025-01-24T22:18:10,234 creating '/tmp/pip-wheel-1l_vu32x/geometric-1.1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-01-24T22:18:10,244 adding 'geometric/PDB.py' 2025-01-24T22:18:10,246 adding 'geometric/__init__.py' 2025-01-24T22:18:10,248 adding 'geometric/_version.py' 2025-01-24T22:18:10,250 adding 'geometric/ase_engine.py' 2025-01-24T22:18:10,259 adding 'geometric/engine.py' 2025-01-24T22:18:10,261 adding 'geometric/errors.py' 2025-01-24T22:18:10,263 adding 'geometric/ic_tools.py' 2025-01-24T22:18:10,265 adding 'geometric/info.py' 2025-01-24T22:18:10,281 adding 'geometric/internal.py' 2025-01-24T22:18:10,308 adding 'geometric/molecule.py' 2025-01-24T22:18:10,318 adding 'geometric/neb.py' 2025-01-24T22:18:10,327 adding 'geometric/nifty.py' 2025-01-24T22:18:10,332 adding 'geometric/normal_modes.py' 2025-01-24T22:18:10,341 adding 'geometric/optimize.py' 2025-01-24T22:18:10,346 adding 'geometric/params.py' 2025-01-24T22:18:10,350 adding 'geometric/prepare.py' 2025-01-24T22:18:10,352 adding 'geometric/qcf_neb.py' 2025-01-24T22:18:10,356 adding 'geometric/rotate.py' 2025-01-24T22:18:10,358 adding 'geometric/run_json.py' 2025-01-24T22:18:10,362 adding 'geometric/step.py' 2025-01-24T22:18:10,364 adding 'geometric/xml_helper.py' 2025-01-24T22:18:10,366 adding 'geometric/config/__init__.py' 2025-01-24T22:18:10,367 adding 'geometric/config/log.ini' 2025-01-24T22:18:10,368 adding 'geometric/config/logConsole.ini' 2025-01-24T22:18:10,369 adding 'geometric/config/logJson.ini' 2025-01-24T22:18:10,372 adding 'geometric/data/adamantane.xyz' 2025-01-24T22:18:10,373 adding 'geometric/data/ala.pdb' 2025-01-24T22:18:10,374 adding 'geometric/data/ala_a99sb_min.pdb' 2025-01-24T22:18:10,375 adding 'geometric/data/ala_constraints.txt' 2025-01-24T22:18:10,377 adding 'geometric/data/alaglu.gro' 2025-01-24T22:18:10,378 adding 'geometric/data/assort.xyz' 2025-01-24T22:18:10,379 adding 'geometric/data/bicyclo222octane.xyz' 2025-01-24T22:18:10,380 adding 'geometric/data/bucky-argmin-indices.txt' 2025-01-24T22:18:10,382 adding 'geometric/data/bucky-energies.txt' 2025-01-24T22:18:10,383 adding 'geometric/data/c60.xyz' 2025-01-24T22:18:10,384 adding 'geometric/data/captan.pdb' 2025-01-24T22:18:10,387 adding 'geometric/data/captan.xml' 2025-01-24T22:18:10,388 adding 'geometric/data/cholesterol.xyz' 2025-01-24T22:18:10,390 adding 'geometric/data/chromophore.xyz' 2025-01-24T22:18:10,391 adding 'geometric/data/coronene.xyz' 2025-01-24T22:18:10,392 adding 'geometric/data/cubane.xyz' 2025-01-24T22:18:10,393 adding 'geometric/data/ethanol.pdb' 2025-01-24T22:18:10,394 adding 'geometric/data/ethanol.xml' 2025-01-24T22:18:10,396 adding 'geometric/data/fenestradiene.xyz' 2025-01-24T22:18:10,397 adding 'geometric/data/h2o2_h2o.pdb' 2025-01-24T22:18:10,398 adding 'geometric/data/h2o2_h2o_system.xml' 2025-01-24T22:18:10,399 adding 'geometric/data/hcn_irc_input.xyz' 2025-01-24T22:18:10,400 adding 'geometric/data/hcn_minimized.xyz' 2025-01-24T22:18:10,402 adding 'geometric/data/hcn_neb_input.xyz' 2025-01-24T22:18:10,403 adding 'geometric/data/hcn_neb_service.xyz' 2025-01-24T22:18:10,404 adding 'geometric/data/hcn_ts_optim.xyz' 2025-01-24T22:18:10,405 adding 'geometric/data/hcn_ts_optim_xtb.xyz' 2025-01-24T22:18:10,406 adding 'geometric/data/hcn_tsguess.xyz' 2025-01-24T22:18:10,407 adding 'geometric/data/hcn_tsguess_hessian.txt' 2025-01-24T22:18:10,408 adding 'geometric/data/linalg_torsion_constraints.txt' 2025-01-24T22:18:10,410 adding 'geometric/data/naphthax.xyz' 2025-01-24T22:18:10,411 adding 'geometric/data/neu5ac.pdb' 2025-01-24T22:18:10,412 adding 'geometric/data/parser_options.txt' 2025-01-24T22:18:10,414 adding 'geometric/data/porphin.xyz' 2025-01-24T22:18:10,415 adding 'geometric/data/propynimine-ts-optimized.xyz' 2025-01-24T22:18:10,417 adding 'geometric/data/propynimine-tsguess-hessian.txt' 2025-01-24T22:18:10,422 adding 'geometric/data/randn_1k.txt' 2025-01-24T22:18:10,433 adding 'geometric/data/reaction_000_deci.xyz' 2025-01-24T22:18:10,439 adding 'geometric/data/spc216.gro' 2025-01-24T22:18:10,441 adding 'geometric/data/tetrahedrane.xyz' 2025-01-24T22:18:10,444 adding 'geometric/data/triclinic.gro' 2025-01-24T22:18:10,446 adding 'geometric/data/vancomycin.pdb' 2025-01-24T22:18:10,448 adding 'geometric/data/water12.pdb' 2025-01-24T22:18:10,449 adding 'geometric/data/water12.xyz' 2025-01-24T22:18:10,450 adding 'geometric/data/water1_coords_gfn2-xtb.xyz' 2025-01-24T22:18:10,451 adding 'geometric/data/water2.pdb' 2025-01-24T22:18:10,452 adding 'geometric/data/water2_centroid.txt' 2025-01-24T22:18:10,453 adding 'geometric/data/water3.pdb' 2025-01-24T22:18:10,455 adding 'geometric/data/water5.xyz' 2025-01-24T22:18:10,456 adding 'geometric/data/water6.pdb' 2025-01-24T22:18:10,458 adding 'geometric/data/ethane_qmmm_terachem_openmm/ethane.pdb' 2025-01-24T22:18:10,459 adding 'geometric/data/ethane_qmmm_terachem_openmm/mmindices.txt' 2025-01-24T22:18:10,460 adding 'geometric/data/ethane_qmmm_terachem_openmm/qmindices.txt' 2025-01-24T22:18:10,461 adding 'geometric/data/ethane_qmmm_terachem_openmm/state.xml' 2025-01-24T22:18:10,463 adding 'geometric/data/ethane_qmmm_terachem_openmm/system.xml' 2025-01-24T22:18:10,465 adding 'geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/convert.py' 2025-01-24T22:18:10,466 adding 'geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/ethane.pdb' 2025-01-24T22:18:10,468 adding 'geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/ethane.xml' 2025-01-24T22:18:10,470 adding 'geometric/tests/__init__.py' 2025-01-24T22:18:10,471 adding 'geometric/tests/addons.py' 2025-01-24T22:18:10,473 adding 'geometric/tests/conftest.py' 2025-01-24T22:18:10,474 adding 'geometric/tests/test_ase_engine.py' 2025-01-24T22:18:10,476 adding 'geometric/tests/test_batch_opt.py' 2025-01-24T22:18:10,477 adding 'geometric/tests/test_cfour.py' 2025-01-24T22:18:10,478 adding 'geometric/tests/test_customengine.py' 2025-01-24T22:18:10,479 adding 'geometric/tests/test_diff.py' 2025-01-24T22:18:10,481 adding 'geometric/tests/test_errors.py' 2025-01-24T22:18:10,482 adding 'geometric/tests/test_gaussian.py' 2025-01-24T22:18:10,484 adding 'geometric/tests/test_hessian.py' 2025-01-24T22:18:10,485 adding 'geometric/tests/test_internal.py' 2025-01-24T22:18:10,486 adding 'geometric/tests/test_irc.py' 2025-01-24T22:18:10,488 adding 'geometric/tests/test_minimize.py' 2025-01-24T22:18:10,490 adding 'geometric/tests/test_molecule.py' 2025-01-24T22:18:10,493 adding 'geometric/tests/test_neb.py' 2025-01-24T22:18:10,495 adding 'geometric/tests/test_nifty.py' 2025-01-24T22:18:10,498 adding 'geometric/tests/test_openmm.py' 2025-01-24T22:18:10,499 adding 'geometric/tests/test_params.py' 2025-01-24T22:18:10,501 adding 'geometric/tests/test_prepare.py' 2025-01-24T22:18:10,502 adding 'geometric/tests/test_qcengine.py' 2025-01-24T22:18:10,503 adding 'geometric/tests/test_rotate.py' 2025-01-24T22:18:10,505 adding 'geometric/tests/test_run_json.py' 2025-01-24T22:18:10,507 adding 'geometric/tests/test_terachem.py' 2025-01-24T22:18:10,508 adding 'geometric/tests/test_transition.py' 2025-01-24T22:18:10,511 adding 'geometric-1.1.dist-info/LICENSE' 2025-01-24T22:18:10,512 adding 'geometric-1.1.dist-info/METADATA' 2025-01-24T22:18:10,513 adding 'geometric-1.1.dist-info/WHEEL' 2025-01-24T22:18:10,513 adding 'geometric-1.1.dist-info/entry_points.txt' 2025-01-24T22:18:10,514 adding 'geometric-1.1.dist-info/top_level.txt' 2025-01-24T22:18:10,515 adding 'geometric-1.1.dist-info/zip-safe' 2025-01-24T22:18:10,517 adding 'geometric-1.1.dist-info/RECORD' 2025-01-24T22:18:10,523 removing build/bdist.linux-armv7l/wheel 2025-01-24T22:18:10,659 Building wheel for geometric (setup.py): finished with status 'done' 2025-01-24T22:18:10,666 Created wheel for geometric: filename=geometric-1.1-py3-none-any.whl size=402092 sha256=b7bfb4419f69f5b1bdeb929eb2a03bdd4b73002e4745cbc9f9ff21980c44f747 2025-01-24T22:18:10,667 Stored in directory: /tmp/pip-ephem-wheel-cache-y_slz9t_/wheels/c5/77/0c/96a54539fe0560749fdbe283f92582d09bddb212856407a4cb 2025-01-24T22:18:10,681 Successfully built geometric 2025-01-24T22:18:10,699 Removed build tracker: '/tmp/pip-build-tracker-lscxq0y0'