2024-01-24T20:30:29,182 Created temporary directory: /tmp/pip-build-tracker-saeswjtn
2024-01-24T20:30:29,183 Initialized build tracking at /tmp/pip-build-tracker-saeswjtn
2024-01-24T20:30:29,184 Created build tracker: /tmp/pip-build-tracker-saeswjtn
2024-01-24T20:30:29,184 Entered build tracker: /tmp/pip-build-tracker-saeswjtn
2024-01-24T20:30:29,185 Created temporary directory: /tmp/pip-wheel-psc9uhmt
2024-01-24T20:30:29,188 Created temporary directory: /tmp/pip-ephem-wheel-cache-2gocqf3e
2024-01-24T20:30:29,214 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2024-01-24T20:30:29,218 2 location(s) to search for versions of geometric:
2024-01-24T20:30:29,218 * https://pypi.org/simple/geometric/
2024-01-24T20:30:29,218 * https://www.piwheels.org/simple/geometric/
2024-01-24T20:30:29,218 Fetching project page and analyzing links: https://pypi.org/simple/geometric/
2024-01-24T20:30:29,219 Getting page https://pypi.org/simple/geometric/
2024-01-24T20:30:29,221 Found index url https://pypi.org/simple/
2024-01-24T20:30:29,437 Fetched page https://pypi.org/simple/geometric/ as application/vnd.pypi.simple.v1+json
2024-01-24T20:30:29,441   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
2024-01-24T20:30:29,441   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
2024-01-24T20:30:29,442   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
2024-01-24T20:30:29,443   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
2024-01-24T20:30:29,443   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
2024-01-24T20:30:29,444   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
2024-01-24T20:30:29,445   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
2024-01-24T20:30:29,446   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
2024-01-24T20:30:29,446   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
2024-01-24T20:30:29,447   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
2024-01-24T20:30:29,448   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
2024-01-24T20:30:29,449   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
2024-01-24T20:30:29,449   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
2024-01-24T20:30:29,450   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
2024-01-24T20:30:29,451   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
2024-01-24T20:30:29,452   Found link https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz (from https://pypi.org/simple/geometric/), version: 1.0
2024-01-24T20:30:29,452   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
2024-01-24T20:30:29,453   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
2024-01-24T20:30:29,454 Fetching project page and analyzing links: https://www.piwheels.org/simple/geometric/
2024-01-24T20:30:29,454 Getting page https://www.piwheels.org/simple/geometric/
2024-01-24T20:30:29,455 Found index url https://www.piwheels.org/simple/
2024-01-24T20:30:29,607 Fetched page https://www.piwheels.org/simple/geometric/ as text/html
2024-01-24T20:30:29,612   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/)
2024-01-24T20:30:29,613   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/)
2024-01-24T20:30:29,613   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/)
2024-01-24T20:30:29,614   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/)
2024-01-24T20:30:29,615   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/)
2024-01-24T20:30:29,615   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/)
2024-01-24T20:30:29,616   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/)
2024-01-24T20:30:29,616   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/)
2024-01-24T20:30:29,617   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/)
2024-01-24T20:30:29,617   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/)
2024-01-24T20:30:29,618   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/)
2024-01-24T20:30:29,619   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/)
2024-01-24T20:30:29,619   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/)
2024-01-24T20:30:29,620   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/)
2024-01-24T20:30:29,620   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/)
2024-01-24T20:30:29,620   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/)
2024-01-24T20:30:29,621   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/)
2024-01-24T20:30:29,621 Skipping link: not a file: https://www.piwheels.org/simple/geometric/
2024-01-24T20:30:29,622 Skipping link: not a file: https://pypi.org/simple/geometric/
2024-01-24T20:30:29,642 Given no hashes to check 1 links for project 'geometric': discarding no candidates
2024-01-24T20:30:29,660 Collecting geometric==1.0.2
2024-01-24T20:30:29,663   Created temporary directory: /tmp/pip-unpack-uq41gd1r
2024-01-24T20:30:29,910   Downloading geometric-1.0.2.tar.gz (385 kB)
2024-01-24T20:30:30,246   Added geometric==1.0.2 from https://files.pythonhosted.org/packages/88/92/1843b9ecf8f21353e571ce3a3e95f171a08345c7e802ceb7c9a4bbe235c4/geometric-1.0.2.tar.gz to build tracker '/tmp/pip-build-tracker-saeswjtn'
2024-01-24T20:30:30,248   Running setup.py (path:/tmp/pip-wheel-psc9uhmt/geometric_7968aff577e54465b55fefb1ae169205/setup.py) egg_info for package geometric
2024-01-24T20:30:30,249   Created temporary directory: /tmp/pip-pip-egg-info-kwx54m46
2024-01-24T20:30:30,249   Preparing metadata (setup.py): started
2024-01-24T20:30:30,251   Running command python setup.py egg_info
2024-01-24T20:30:31,373   running egg_info
2024-01-24T20:30:31,374   creating /tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info
2024-01-24T20:30:31,399   writing /tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/PKG-INFO
2024-01-24T20:30:31,403   writing dependency_links to /tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/dependency_links.txt
2024-01-24T20:30:31,404   writing entry points to /tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/entry_points.txt
2024-01-24T20:30:31,406   writing requirements to /tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/requires.txt
2024-01-24T20:30:31,407   writing top-level names to /tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/top_level.txt
2024-01-24T20:30:31,409   writing manifest file '/tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/SOURCES.txt'
2024-01-24T20:30:31,464   reading manifest file '/tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/SOURCES.txt'
2024-01-24T20:30:31,466   reading manifest template 'MANIFEST.in'
2024-01-24T20:30:31,602   adding license file 'LICENSE'
2024-01-24T20:30:31,606   writing manifest file '/tmp/pip-pip-egg-info-kwx54m46/geometric.egg-info/SOURCES.txt'
2024-01-24T20:30:31,716   Preparing metadata (setup.py): finished with status 'done'
2024-01-24T20:30:31,720   Source in /tmp/pip-wheel-psc9uhmt/geometric_7968aff577e54465b55fefb1ae169205 has version 1.0.2, which satisfies requirement geometric==1.0.2 from https://files.pythonhosted.org/packages/88/92/1843b9ecf8f21353e571ce3a3e95f171a08345c7e802ceb7c9a4bbe235c4/geometric-1.0.2.tar.gz
2024-01-24T20:30:31,721   Removed geometric==1.0.2 from https://files.pythonhosted.org/packages/88/92/1843b9ecf8f21353e571ce3a3e95f171a08345c7e802ceb7c9a4bbe235c4/geometric-1.0.2.tar.gz from build tracker '/tmp/pip-build-tracker-saeswjtn'
2024-01-24T20:30:31,725 Created temporary directory: /tmp/pip-unpack-l3z1qh59
2024-01-24T20:30:31,726 Created temporary directory: /tmp/pip-unpack-4rgvk2cz
2024-01-24T20:30:31,732 Building wheels for collected packages: geometric
2024-01-24T20:30:31,736   Created temporary directory: /tmp/pip-wheel-hfugmver
2024-01-24T20:30:31,737   Building wheel for geometric (setup.py): started
2024-01-24T20:30:31,738   Destination directory: /tmp/pip-wheel-hfugmver
2024-01-24T20:30:31,738   Running command python setup.py bdist_wheel
2024-01-24T20:30:32,770   running bdist_wheel
2024-01-24T20:30:32,867   running build
2024-01-24T20:30:32,868   running build_py
2024-01-24T20:30:32,873   creating build
2024-01-24T20:30:32,874   creating build/lib
2024-01-24T20:30:32,874   creating build/lib/geometric
2024-01-24T20:30:32,875   copying geometric/run_json.py -> build/lib/geometric
2024-01-24T20:30:32,878   copying geometric/params.py -> build/lib/geometric
2024-01-24T20:30:32,881   copying geometric/optimize.py -> build/lib/geometric
2024-01-24T20:30:32,884   copying geometric/info.py -> build/lib/geometric
2024-01-24T20:30:32,886   copying geometric/_version.py -> build/lib/geometric
2024-01-24T20:30:32,887   copying geometric/prepare.py -> build/lib/geometric
2024-01-24T20:30:32,890   copying geometric/internal_dielsalder_working.py -> build/lib/geometric
2024-01-24T20:30:32,895   copying geometric/normal_modes.py -> build/lib/geometric
2024-01-24T20:30:32,898   copying geometric/molecule.py -> build/lib/geometric
2024-01-24T20:30:32,903   copying geometric/ic_tools.py -> build/lib/geometric
2024-01-24T20:30:32,905   copying geometric/__init__.py -> build/lib/geometric
2024-01-24T20:30:32,907   copying geometric/step.py -> build/lib/geometric
2024-01-24T20:30:32,910   copying geometric/engine.py -> build/lib/geometric
2024-01-24T20:30:32,913   copying geometric/PDB.py -> build/lib/geometric
2024-01-24T20:30:32,917   copying geometric/internal.py -> build/lib/geometric
2024-01-24T20:30:32,922   copying geometric/nifty.py -> build/lib/geometric
2024-01-24T20:30:32,925   copying geometric/ase_engine.py -> build/lib/geometric
2024-01-24T20:30:32,927   copying geometric/rotate.py -> build/lib/geometric
2024-01-24T20:30:32,930   copying geometric/errors.py -> build/lib/geometric
2024-01-24T20:30:32,932   creating build/lib/geometric/tests
2024-01-24T20:30:32,933   copying geometric/tests/test_errors.py -> build/lib/geometric/tests
2024-01-24T20:30:32,935   copying geometric/tests/test_molecule.py -> build/lib/geometric/tests
2024-01-24T20:30:32,938   copying geometric/tests/test_openmm.py -> build/lib/geometric/tests
2024-01-24T20:30:32,940   copying geometric/tests/test_transition.py -> build/lib/geometric/tests
2024-01-24T20:30:32,943   copying geometric/tests/test_prepare.py -> build/lib/geometric/tests
2024-01-24T20:30:32,945   copying geometric/tests/test_ase_engine.py -> build/lib/geometric/tests
2024-01-24T20:30:32,946   copying geometric/tests/test_terachem.py -> build/lib/geometric/tests
2024-01-24T20:30:32,949   copying geometric/tests/test_minimize.py -> build/lib/geometric/tests
2024-01-24T20:30:32,950   copying geometric/tests/test_gaussian.py -> build/lib/geometric/tests
2024-01-24T20:30:32,952   copying geometric/tests/test_hessian.py -> build/lib/geometric/tests
2024-01-24T20:30:32,954   copying geometric/tests/test_internal.py -> build/lib/geometric/tests
2024-01-24T20:30:32,956   copying geometric/tests/test_run_json.py -> build/lib/geometric/tests
2024-01-24T20:30:32,958   copying geometric/tests/test_batch_opt.py -> build/lib/geometric/tests
2024-01-24T20:30:32,960   copying geometric/tests/__init__.py -> build/lib/geometric/tests
2024-01-24T20:30:32,962   copying geometric/tests/addons.py -> build/lib/geometric/tests
2024-01-24T20:30:32,963   copying geometric/tests/test_qcengine.py -> build/lib/geometric/tests
2024-01-24T20:30:32,965   copying geometric/tests/conftest.py -> build/lib/geometric/tests
2024-01-24T20:30:32,967   copying geometric/tests/test_customengine.py -> build/lib/geometric/tests
2024-01-24T20:30:32,968   copying geometric/tests/test_params.py -> build/lib/geometric/tests
2024-01-24T20:30:32,970   copying geometric/tests/test_diff.py -> build/lib/geometric/tests
2024-01-24T20:30:32,971   copying geometric/tests/test_rotate.py -> build/lib/geometric/tests
2024-01-24T20:30:32,973   copying geometric/tests/test_nifty.py -> build/lib/geometric/tests
2024-01-24T20:30:32,976   creating build/lib/geometric/config
2024-01-24T20:30:32,977   copying geometric/config/__init__.py -> build/lib/geometric/config
2024-01-24T20:30:32,978   running egg_info
2024-01-24T20:30:33,033   writing geometric.egg-info/PKG-INFO
2024-01-24T20:30:33,036   writing dependency_links to geometric.egg-info/dependency_links.txt
2024-01-24T20:30:33,038   writing entry points to geometric.egg-info/entry_points.txt
2024-01-24T20:30:33,039   writing requirements to geometric.egg-info/requires.txt
2024-01-24T20:30:33,040   writing top-level names to geometric.egg-info/top_level.txt
2024-01-24T20:30:33,071   reading manifest file 'geometric.egg-info/SOURCES.txt'
2024-01-24T20:30:33,075   reading manifest template 'MANIFEST.in'
2024-01-24T20:30:33,195   adding license file 'LICENSE'
2024-01-24T20:30:33,201   writing manifest file 'geometric.egg-info/SOURCES.txt'
2024-01-24T20:30:33,204   /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'geometric.data' is absent from the `packages` configuration.
2024-01-24T20:30:33,204   !!

2024-01-24T20:30:33,205           ********************************************************************************
2024-01-24T20:30:33,206           ############################
2024-01-24T20:30:33,207           # Package would be ignored #
2024-01-24T20:30:33,207           ############################
2024-01-24T20:30:33,208           Python recognizes 'geometric.data' as an importable package[^1],
2024-01-24T20:30:33,208           but it is absent from setuptools' `packages` configuration.

2024-01-24T20:30:33,209           This leads to an ambiguous overall configuration. If you want to distribute this
2024-01-24T20:30:33,210           package, please make sure that 'geometric.data' is explicitly added
2024-01-24T20:30:33,210           to the `packages` configuration field.

2024-01-24T20:30:33,211           Alternatively, you can also rely on setuptools' discovery methods
2024-01-24T20:30:33,212           (for example by using `find_namespace_packages(...)`/`find_namespace:`
2024-01-24T20:30:33,212           instead of `find_packages(...)`/`find:`).

2024-01-24T20:30:33,213           You can read more about "package discovery" on setuptools documentation page:

2024-01-24T20:30:33,214           - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html

2024-01-24T20:30:33,215           If you don't want 'geometric.data' to be distributed and are
2024-01-24T20:30:33,216           already explicitly excluding 'geometric.data' via
2024-01-24T20:30:33,216           `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`,
2024-01-24T20:30:33,217           you can try to use `exclude_package_data`, or `include-package-data=False` in
2024-01-24T20:30:33,217           combination with a more fine grained `package-data` configuration.

2024-01-24T20:30:33,218           You can read more about "package data files" on setuptools documentation page:

2024-01-24T20:30:33,219           - https://setuptools.pypa.io/en/latest/userguide/datafiles.html


2024-01-24T20:30:33,221           [^1]: For Python, any directory (with suitable naming) can be imported,
2024-01-24T20:30:33,221                 even if it does not contain any `.py` files.
2024-01-24T20:30:33,221                 On the other hand, currently there is no concept of package data
2024-01-24T20:30:33,222                 directory, all directories are treated like packages.
2024-01-24T20:30:33,222           ********************************************************************************

2024-01-24T20:30:33,223   !!
2024-01-24T20:30:33,224     check.warn(importable)
2024-01-24T20:30:33,224   /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'geometric.data.TrashBox' is absent from the `packages` configuration.
2024-01-24T20:30:33,224   !!

2024-01-24T20:30:33,225           ********************************************************************************
2024-01-24T20:30:33,226           ############################
2024-01-24T20:30:33,226           # Package would be ignored #
2024-01-24T20:30:33,227           ############################
2024-01-24T20:30:33,227           Python recognizes 'geometric.data.TrashBox' as an importable package[^1],
2024-01-24T20:30:33,228           but it is absent from setuptools' `packages` configuration.

2024-01-24T20:30:33,228           This leads to an ambiguous overall configuration. If you want to distribute this
2024-01-24T20:30:33,229           package, please make sure that 'geometric.data.TrashBox' is explicitly added
2024-01-24T20:30:33,229           to the `packages` configuration field.

2024-01-24T20:30:33,230           Alternatively, you can also rely on setuptools' discovery methods
2024-01-24T20:30:33,231           (for example by using `find_namespace_packages(...)`/`find_namespace:`
2024-01-24T20:30:33,231           instead of `find_packages(...)`/`find:`).

2024-01-24T20:30:33,232           You can read more about "package discovery" on setuptools documentation page:

2024-01-24T20:30:33,233           - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html

2024-01-24T20:30:33,234           If you don't want 'geometric.data.TrashBox' to be distributed and are
2024-01-24T20:30:33,235           already explicitly excluding 'geometric.data.TrashBox' via
2024-01-24T20:30:33,235           `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`,
2024-01-24T20:30:33,235           you can try to use `exclude_package_data`, or `include-package-data=False` in
2024-01-24T20:30:33,236           combination with a more fine grained `package-data` configuration.

2024-01-24T20:30:33,237           You can read more about "package data files" on setuptools documentation page:

2024-01-24T20:30:33,238           - https://setuptools.pypa.io/en/latest/userguide/datafiles.html


2024-01-24T20:30:33,240           [^1]: For Python, any directory (with suitable naming) can be imported,
2024-01-24T20:30:33,240                 even if it does not contain any `.py` files.
2024-01-24T20:30:33,241                 On the other hand, currently there is no concept of package data
2024-01-24T20:30:33,241                 directory, all directories are treated like packages.
2024-01-24T20:30:33,242           ********************************************************************************

2024-01-24T20:30:33,242   !!
2024-01-24T20:30:33,243     check.warn(importable)
2024-01-24T20:30:33,244   /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'geometric.data.TrashBox.hcn_hessian.hessian' is absent from the `packages` configuration.
2024-01-24T20:30:33,244   !!

2024-01-24T20:30:33,245           ********************************************************************************
2024-01-24T20:30:33,246           ############################
2024-01-24T20:30:33,246           # Package would be ignored #
2024-01-24T20:30:33,247           ############################
2024-01-24T20:30:33,247           Python recognizes 'geometric.data.TrashBox.hcn_hessian.hessian' as an importable package[^1],
2024-01-24T20:30:33,248           but it is absent from setuptools' `packages` configuration.

2024-01-24T20:30:33,249           This leads to an ambiguous overall configuration. If you want to distribute this
2024-01-24T20:30:33,249           package, please make sure that 'geometric.data.TrashBox.hcn_hessian.hessian' is explicitly added
2024-01-24T20:30:33,250           to the `packages` configuration field.

2024-01-24T20:30:33,250           Alternatively, you can also rely on setuptools' discovery methods
2024-01-24T20:30:33,251           (for example by using `find_namespace_packages(...)`/`find_namespace:`
2024-01-24T20:30:33,251           instead of `find_packages(...)`/`find:`).

2024-01-24T20:30:33,252           You can read more about "package discovery" on setuptools documentation page:

2024-01-24T20:30:33,253           - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html

2024-01-24T20:30:33,254           If you don't want 'geometric.data.TrashBox.hcn_hessian.hessian' to be distributed and are
2024-01-24T20:30:33,254           already explicitly excluding 'geometric.data.TrashBox.hcn_hessian.hessian' via
2024-01-24T20:30:33,254           `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`,
2024-01-24T20:30:33,255           you can try to use `exclude_package_data`, or `include-package-data=False` in
2024-01-24T20:30:33,255           combination with a more fine grained `package-data` configuration.

2024-01-24T20:30:33,256           You can read more about "package data files" on setuptools documentation page:

2024-01-24T20:30:33,257           - https://setuptools.pypa.io/en/latest/userguide/datafiles.html


2024-01-24T20:30:33,258           [^1]: For Python, any directory (with suitable naming) can be imported,
2024-01-24T20:30:33,259                 even if it does not contain any `.py` files.
2024-01-24T20:30:33,259                 On the other hand, currently there is no concept of package data
2024-01-24T20:30:33,260                 directory, all directories are treated like packages.
2024-01-24T20:30:33,260           ********************************************************************************

2024-01-24T20:30:33,261   !!
2024-01-24T20:30:33,262     check.warn(importable)
2024-01-24T20:30:33,262   /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' is absent from the `packages` configuration.
2024-01-24T20:30:33,263   !!

2024-01-24T20:30:33,264           ********************************************************************************
2024-01-24T20:30:33,264           ############################
2024-01-24T20:30:33,265           # Package would be ignored #
2024-01-24T20:30:33,265           ############################
2024-01-24T20:30:33,266           Python recognizes 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' as an importable package[^1],
2024-01-24T20:30:33,266           but it is absent from setuptools' `packages` configuration.

2024-01-24T20:30:33,267           This leads to an ambiguous overall configuration. If you want to distribute this
2024-01-24T20:30:33,268           package, please make sure that 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' is explicitly added
2024-01-24T20:30:33,268           to the `packages` configuration field.

2024-01-24T20:30:33,269           Alternatively, you can also rely on setuptools' discovery methods
2024-01-24T20:30:33,270           (for example by using `find_namespace_packages(...)`/`find_namespace:`
2024-01-24T20:30:33,270           instead of `find_packages(...)`/`find:`).

2024-01-24T20:30:33,271           You can read more about "package discovery" on setuptools documentation page:

2024-01-24T20:30:33,272           - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html

2024-01-24T20:30:33,273           If you don't want 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' to be distributed and are
2024-01-24T20:30:33,274           already explicitly excluding 'geometric.data.ethane_qmmm_terachem_openmm.write_system_state_xml' via
2024-01-24T20:30:33,274           `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`,
2024-01-24T20:30:33,275           you can try to use `exclude_package_data`, or `include-package-data=False` in
2024-01-24T20:30:33,275           combination with a more fine grained `package-data` configuration.

2024-01-24T20:30:33,276           You can read more about "package data files" on setuptools documentation page:

2024-01-24T20:30:33,277           - https://setuptools.pypa.io/en/latest/userguide/datafiles.html


2024-01-24T20:30:33,278           [^1]: For Python, any directory (with suitable naming) can be imported,
2024-01-24T20:30:33,278                 even if it does not contain any `.py` files.
2024-01-24T20:30:33,279                 On the other hand, currently there is no concept of package data
2024-01-24T20:30:33,279                 directory, all directories are treated like packages.
2024-01-24T20:30:33,279           ********************************************************************************

2024-01-24T20:30:33,280   !!
2024-01-24T20:30:33,281     check.warn(importable)
2024-01-24T20:30:33,281   creating build/lib/geometric/data
2024-01-24T20:30:33,281   copying geometric/data/adamantane.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,282   copying geometric/data/ala.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,282   copying geometric/data/ala_a99sb_min.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,283   copying geometric/data/ala_constraints.txt -> build/lib/geometric/data
2024-01-24T20:30:33,283   copying geometric/data/alaglu.gro -> build/lib/geometric/data
2024-01-24T20:30:33,284   copying geometric/data/assort.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,284   copying geometric/data/bicyclo222octane.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,285   copying geometric/data/bucky-argmin-indices.txt -> build/lib/geometric/data
2024-01-24T20:30:33,285   copying geometric/data/bucky-energies.txt -> build/lib/geometric/data
2024-01-24T20:30:33,286   copying geometric/data/c60.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,286   copying geometric/data/captan.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,286   copying geometric/data/captan.xml -> build/lib/geometric/data
2024-01-24T20:30:33,287   copying geometric/data/cholesterol.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,287   copying geometric/data/coronene.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,288   copying geometric/data/cubane.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,288   copying geometric/data/ethanol.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,289   copying geometric/data/ethanol.xml -> build/lib/geometric/data
2024-01-24T20:30:33,289   copying geometric/data/fenestradiene.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,290   copying geometric/data/h2o2_h2o.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,290   copying geometric/data/h2o2_h2o_system.xml -> build/lib/geometric/data
2024-01-24T20:30:33,291   copying geometric/data/hcn_ts_optim.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,291   copying geometric/data/hcn_ts_optim_xtb.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,292   copying geometric/data/hcn_tsguess.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,292   copying geometric/data/hcn_tsguess_hessian.txt -> build/lib/geometric/data
2024-01-24T20:30:33,293   copying geometric/data/linalg_torsion_constraints.txt -> build/lib/geometric/data
2024-01-24T20:30:33,293   copying geometric/data/naphthax.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,294   copying geometric/data/neu5ac.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,294   copying geometric/data/parser_options.txt -> build/lib/geometric/data
2024-01-24T20:30:33,295   copying geometric/data/porphin.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,295   copying geometric/data/propynimine-ts-optimized.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,296   copying geometric/data/propynimine-tsguess-hessian.txt -> build/lib/geometric/data
2024-01-24T20:30:33,296   copying geometric/data/randn_1k.txt -> build/lib/geometric/data
2024-01-24T20:30:33,298   copying geometric/data/reaction_000_deci.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,301   copying geometric/data/spc216.gro -> build/lib/geometric/data
2024-01-24T20:30:33,304   copying geometric/data/tetrahedrane.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,306   copying geometric/data/triclinic.gro -> build/lib/geometric/data
2024-01-24T20:30:33,309   copying geometric/data/vancomycin.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,311   copying geometric/data/water12.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,313   copying geometric/data/water12.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,316   copying geometric/data/water3.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,318   copying geometric/data/water5.xyz -> build/lib/geometric/data
2024-01-24T20:30:33,320   copying geometric/data/water6.pdb -> build/lib/geometric/data
2024-01-24T20:30:33,322   creating build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,322   copying geometric/data/TrashBox/alatet.xyz -> build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,325   copying geometric/data/TrashBox/gal-glc-cons-test.txt -> build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,326   copying geometric/data/TrashBox/gal-glc-cons-test.xyz -> build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,328   copying geometric/data/TrashBox/reaction_003_deci.xyz -> build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,332   copying geometric/data/TrashBox/test.xyz -> build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,334   copying geometric/data/TrashBox/water12_frame042.xyz -> build/lib/geometric/data/TrashBox
2024-01-24T20:30:33,336   creating build/lib/geometric/data/TrashBox/hcn_hessian
2024-01-24T20:30:33,337   creating build/lib/geometric/data/TrashBox/hcn_hessian/hessian
2024-01-24T20:30:33,338   copying geometric/data/TrashBox/hcn_hessian/hessian/hessian.txt -> build/lib/geometric/data/TrashBox/hcn_hessian/hessian
2024-01-24T20:30:33,341   creating build/lib/geometric/data/ethane_qmmm_terachem_openmm
2024-01-24T20:30:33,342   creating build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml
2024-01-24T20:30:33,343   copying geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/state.xml -> build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml
2024-01-24T20:30:33,346   copying geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/system.xml -> build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml
2024-01-24T20:30:33,350   copying geometric/config/log.ini -> build/lib/geometric/config
2024-01-24T20:30:33,352   copying geometric/config/logConsole.ini -> build/lib/geometric/config
2024-01-24T20:30:33,355   copying geometric/config/logJson.ini -> build/lib/geometric/config
2024-01-24T20:30:33,360   UPDATING build/lib/geometric/_version.py
2024-01-24T20:30:33,361   set build/lib/geometric/_version.py to '1.0.2'
2024-01-24T20:30:33,388   /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated.
2024-01-24T20:30:33,389   !!

2024-01-24T20:30:33,390           ********************************************************************************
2024-01-24T20:30:33,391           Please avoid running ``setup.py`` directly.
2024-01-24T20:30:33,391           Instead, use pypa/build, pypa/installer or other
2024-01-24T20:30:33,392           standards-based tools.

2024-01-24T20:30:33,393           See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details.
2024-01-24T20:30:33,394           ********************************************************************************

2024-01-24T20:30:33,395   !!
2024-01-24T20:30:33,396     self.initialize_options()
2024-01-24T20:30:33,415   installing to build/bdist.linux-armv7l/wheel
2024-01-24T20:30:33,416   running install
2024-01-24T20:30:33,440   running install_lib
2024-01-24T20:30:33,465   creating build/bdist.linux-armv7l
2024-01-24T20:30:33,465   creating build/bdist.linux-armv7l/wheel
2024-01-24T20:30:33,467   creating build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,468   copying build/lib/geometric/run_json.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,470   copying build/lib/geometric/params.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,473   copying build/lib/geometric/optimize.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,476   copying build/lib/geometric/info.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,478   copying build/lib/geometric/_version.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,480   creating build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,481   copying build/lib/geometric/tests/test_errors.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,483   copying build/lib/geometric/tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,485   copying build/lib/geometric/tests/test_openmm.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,488   copying build/lib/geometric/tests/test_transition.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,489   copying build/lib/geometric/tests/test_prepare.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,491   copying build/lib/geometric/tests/test_ase_engine.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,493   copying build/lib/geometric/tests/test_terachem.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,495   copying build/lib/geometric/tests/test_minimize.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,497   copying build/lib/geometric/tests/test_gaussian.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,499   copying build/lib/geometric/tests/test_hessian.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,501   copying build/lib/geometric/tests/test_internal.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,503   copying build/lib/geometric/tests/test_run_json.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,506   copying build/lib/geometric/tests/test_batch_opt.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,508   copying build/lib/geometric/tests/__init__.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,509   copying build/lib/geometric/tests/addons.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,511   copying build/lib/geometric/tests/test_qcengine.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,513   copying build/lib/geometric/tests/conftest.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,515   copying build/lib/geometric/tests/test_customengine.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,516   copying build/lib/geometric/tests/test_params.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,518   copying build/lib/geometric/tests/test_diff.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,520   copying build/lib/geometric/tests/test_rotate.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,522   copying build/lib/geometric/tests/test_nifty.py -> build/bdist.linux-armv7l/wheel/geometric/tests
2024-01-24T20:30:33,524   copying build/lib/geometric/prepare.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,527   copying build/lib/geometric/internal_dielsalder_working.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,532   copying build/lib/geometric/normal_modes.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,535   copying build/lib/geometric/molecule.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,540   copying build/lib/geometric/ic_tools.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,543   creating build/bdist.linux-armv7l/wheel/geometric/config
2024-01-24T20:30:33,544   copying build/lib/geometric/config/log.ini -> build/bdist.linux-armv7l/wheel/geometric/config
2024-01-24T20:30:33,545   copying build/lib/geometric/config/__init__.py -> build/bdist.linux-armv7l/wheel/geometric/config
2024-01-24T20:30:33,547   copying build/lib/geometric/config/logJson.ini -> build/bdist.linux-armv7l/wheel/geometric/config
2024-01-24T20:30:33,549   copying build/lib/geometric/config/logConsole.ini -> build/bdist.linux-armv7l/wheel/geometric/config
2024-01-24T20:30:33,550   copying build/lib/geometric/__init__.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,552   copying build/lib/geometric/step.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,554   copying build/lib/geometric/engine.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,558   copying build/lib/geometric/PDB.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,564   copying build/lib/geometric/internal.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,569   creating build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,570   copying build/lib/geometric/data/water12.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,572   copying build/lib/geometric/data/water6.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,573   copying build/lib/geometric/data/assort.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,575   copying build/lib/geometric/data/alaglu.gro -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,577   copying build/lib/geometric/data/captan.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,579   copying build/lib/geometric/data/ethanol.xml -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,581   copying build/lib/geometric/data/ala.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,583   copying build/lib/geometric/data/linalg_torsion_constraints.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,584   copying build/lib/geometric/data/randn_1k.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,587   copying build/lib/geometric/data/propynimine-tsguess-hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,589   copying build/lib/geometric/data/vancomycin.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,592   copying build/lib/geometric/data/reaction_000_deci.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,596   creating build/bdist.linux-armv7l/wheel/geometric/data/ethane_qmmm_terachem_openmm
2024-01-24T20:30:33,598   creating build/bdist.linux-armv7l/wheel/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml
2024-01-24T20:30:33,599   copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/system.xml -> build/bdist.linux-armv7l/wheel/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml
2024-01-24T20:30:33,602   copying build/lib/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/state.xml -> build/bdist.linux-armv7l/wheel/geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml
2024-01-24T20:30:33,604   copying build/lib/geometric/data/parser_options.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,606   copying build/lib/geometric/data/captan.xml -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,609   copying build/lib/geometric/data/porphin.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,610   copying build/lib/geometric/data/naphthax.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,613   copying build/lib/geometric/data/cubane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,615   copying build/lib/geometric/data/bucky-energies.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,616   copying build/lib/geometric/data/ethanol.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,618   copying build/lib/geometric/data/fenestradiene.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,620   copying build/lib/geometric/data/tetrahedrane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,622   copying build/lib/geometric/data/coronene.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,624   copying build/lib/geometric/data/ala_a99sb_min.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,626   copying build/lib/geometric/data/cholesterol.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,627   copying build/lib/geometric/data/hcn_tsguess.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,629   copying build/lib/geometric/data/h2o2_h2o.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,631   copying build/lib/geometric/data/water5.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,633   copying build/lib/geometric/data/bicyclo222octane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,635   copying build/lib/geometric/data/propynimine-ts-optimized.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,636   copying build/lib/geometric/data/hcn_ts_optim_xtb.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,639   creating build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,641   copying build/lib/geometric/data/TrashBox/water12_frame042.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,643   copying build/lib/geometric/data/TrashBox/gal-glc-cons-test.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,645   copying build/lib/geometric/data/TrashBox/test.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,647   creating build/bdist.linux-armv7l/wheel/geometric/data/TrashBox/hcn_hessian
2024-01-24T20:30:33,648   creating build/bdist.linux-armv7l/wheel/geometric/data/TrashBox/hcn_hessian/hessian
2024-01-24T20:30:33,649   copying build/lib/geometric/data/TrashBox/hcn_hessian/hessian/hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox/hcn_hessian/hessian
2024-01-24T20:30:33,652   copying build/lib/geometric/data/TrashBox/gal-glc-cons-test.txt -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,654   copying build/lib/geometric/data/TrashBox/alatet.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,656   copying build/lib/geometric/data/TrashBox/reaction_003_deci.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox
2024-01-24T20:30:33,659   copying build/lib/geometric/data/c60.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,661   copying build/lib/geometric/data/water3.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,662   copying build/lib/geometric/data/ala_constraints.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,664   copying build/lib/geometric/data/adamantane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,666   copying build/lib/geometric/data/spc216.gro -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,670   copying build/lib/geometric/data/h2o2_h2o_system.xml -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,671   copying build/lib/geometric/data/neu5ac.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,673   copying build/lib/geometric/data/triclinic.gro -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,676   copying build/lib/geometric/data/hcn_tsguess_hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,678   copying build/lib/geometric/data/hcn_ts_optim.xyz -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,680   copying build/lib/geometric/data/bucky-argmin-indices.txt -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,681   copying build/lib/geometric/data/water12.pdb -> build/bdist.linux-armv7l/wheel/geometric/data
2024-01-24T20:30:33,683   copying build/lib/geometric/nifty.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,686   copying build/lib/geometric/ase_engine.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,688   copying build/lib/geometric/rotate.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,691   copying build/lib/geometric/errors.py -> build/bdist.linux-armv7l/wheel/geometric
2024-01-24T20:30:33,692   running install_egg_info
2024-01-24T20:30:33,722   Copying geometric.egg-info to build/bdist.linux-armv7l/wheel/geometric-1.0.2-py3.11.egg-info
2024-01-24T20:30:33,735   running install_scripts
2024-01-24T20:30:33,750   creating build/bdist.linux-armv7l/wheel/geometric-1.0.2.dist-info/WHEEL
2024-01-24T20:30:33,753   creating '/tmp/pip-wheel-hfugmver/geometric-1.0.2-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it
2024-01-24T20:30:33,763   adding 'geometric/PDB.py'
2024-01-24T20:30:33,765   adding 'geometric/__init__.py'
2024-01-24T20:30:33,766   adding 'geometric/_version.py'
2024-01-24T20:30:33,768   adding 'geometric/ase_engine.py'
2024-01-24T20:30:33,776   adding 'geometric/engine.py'
2024-01-24T20:30:33,778   adding 'geometric/errors.py'
2024-01-24T20:30:33,780   adding 'geometric/ic_tools.py'
2024-01-24T20:30:33,781   adding 'geometric/info.py'
2024-01-24T20:30:33,796   adding 'geometric/internal.py'
2024-01-24T20:30:33,814   adding 'geometric/internal_dielsalder_working.py'
2024-01-24T20:30:33,840   adding 'geometric/molecule.py'
2024-01-24T20:30:33,849   adding 'geometric/nifty.py'
2024-01-24T20:30:33,854   adding 'geometric/normal_modes.py'
2024-01-24T20:30:33,861   adding 'geometric/optimize.py'
2024-01-24T20:30:33,865   adding 'geometric/params.py'
2024-01-24T20:30:33,868   adding 'geometric/prepare.py'
2024-01-24T20:30:33,872   adding 'geometric/rotate.py'
2024-01-24T20:30:33,874   adding 'geometric/run_json.py'
2024-01-24T20:30:33,878   adding 'geometric/step.py'
2024-01-24T20:30:33,880   adding 'geometric/config/__init__.py'
2024-01-24T20:30:33,881   adding 'geometric/config/log.ini'
2024-01-24T20:30:33,882   adding 'geometric/config/logConsole.ini'
2024-01-24T20:30:33,884   adding 'geometric/config/logJson.ini'
2024-01-24T20:30:33,886   adding 'geometric/data/adamantane.xyz'
2024-01-24T20:30:33,887   adding 'geometric/data/ala.pdb'
2024-01-24T20:30:33,888   adding 'geometric/data/ala_a99sb_min.pdb'
2024-01-24T20:30:33,889   adding 'geometric/data/ala_constraints.txt'
2024-01-24T20:30:33,891   adding 'geometric/data/alaglu.gro'
2024-01-24T20:30:33,892   adding 'geometric/data/assort.xyz'
2024-01-24T20:30:33,893   adding 'geometric/data/bicyclo222octane.xyz'
2024-01-24T20:30:33,894   adding 'geometric/data/bucky-argmin-indices.txt'
2024-01-24T20:30:33,896   adding 'geometric/data/bucky-energies.txt'
2024-01-24T20:30:33,897   adding 'geometric/data/c60.xyz'
2024-01-24T20:30:33,898   adding 'geometric/data/captan.pdb'
2024-01-24T20:30:33,901   adding 'geometric/data/captan.xml'
2024-01-24T20:30:33,902   adding 'geometric/data/cholesterol.xyz'
2024-01-24T20:30:33,904   adding 'geometric/data/coronene.xyz'
2024-01-24T20:30:33,905   adding 'geometric/data/cubane.xyz'
2024-01-24T20:30:33,906   adding 'geometric/data/ethanol.pdb'
2024-01-24T20:30:33,907   adding 'geometric/data/ethanol.xml'
2024-01-24T20:30:33,909   adding 'geometric/data/fenestradiene.xyz'
2024-01-24T20:30:33,910   adding 'geometric/data/h2o2_h2o.pdb'
2024-01-24T20:30:33,912   adding 'geometric/data/h2o2_h2o_system.xml'
2024-01-24T20:30:33,913   adding 'geometric/data/hcn_ts_optim.xyz'
2024-01-24T20:30:33,914   adding 'geometric/data/hcn_ts_optim_xtb.xyz'
2024-01-24T20:30:33,916   adding 'geometric/data/hcn_tsguess.xyz'
2024-01-24T20:30:33,917   adding 'geometric/data/hcn_tsguess_hessian.txt'
2024-01-24T20:30:33,919   adding 'geometric/data/linalg_torsion_constraints.txt'
2024-01-24T20:30:33,920   adding 'geometric/data/naphthax.xyz'
2024-01-24T20:30:33,922   adding 'geometric/data/neu5ac.pdb'
2024-01-24T20:30:33,923   adding 'geometric/data/parser_options.txt'
2024-01-24T20:30:33,925   adding 'geometric/data/porphin.xyz'
2024-01-24T20:30:33,926   adding 'geometric/data/propynimine-ts-optimized.xyz'
2024-01-24T20:30:33,929   adding 'geometric/data/propynimine-tsguess-hessian.txt'
2024-01-24T20:30:33,936   adding 'geometric/data/randn_1k.txt'
2024-01-24T20:30:33,952   adding 'geometric/data/reaction_000_deci.xyz'
2024-01-24T20:30:33,962   adding 'geometric/data/spc216.gro'
2024-01-24T20:30:33,964   adding 'geometric/data/tetrahedrane.xyz'
2024-01-24T20:30:33,968   adding 'geometric/data/triclinic.gro'
2024-01-24T20:30:33,972   adding 'geometric/data/vancomycin.pdb'
2024-01-24T20:30:33,974   adding 'geometric/data/water12.pdb'
2024-01-24T20:30:33,975   adding 'geometric/data/water12.xyz'
2024-01-24T20:30:33,977   adding 'geometric/data/water3.pdb'
2024-01-24T20:30:33,978   adding 'geometric/data/water5.xyz'
2024-01-24T20:30:33,980   adding 'geometric/data/water6.pdb'
2024-01-24T20:30:33,983   adding 'geometric/data/TrashBox/alatet.xyz'
2024-01-24T20:30:33,984   adding 'geometric/data/TrashBox/gal-glc-cons-test.txt'
2024-01-24T20:30:33,986   adding 'geometric/data/TrashBox/gal-glc-cons-test.xyz'
2024-01-24T20:30:33,994   adding 'geometric/data/TrashBox/reaction_003_deci.xyz'
2024-01-24T20:30:33,996   adding 'geometric/data/TrashBox/test.xyz'
2024-01-24T20:30:33,998   adding 'geometric/data/TrashBox/water12_frame042.xyz'
2024-01-24T20:30:34,001   adding 'geometric/data/TrashBox/hcn_hessian/hessian/hessian.txt'
2024-01-24T20:30:34,004   adding 'geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/state.xml'
2024-01-24T20:30:34,007   adding 'geometric/data/ethane_qmmm_terachem_openmm/write_system_state_xml/system.xml'
2024-01-24T20:30:34,009   adding 'geometric/tests/__init__.py'
2024-01-24T20:30:34,011   adding 'geometric/tests/addons.py'
2024-01-24T20:30:34,012   adding 'geometric/tests/conftest.py'
2024-01-24T20:30:34,014   adding 'geometric/tests/test_ase_engine.py'
2024-01-24T20:30:34,016   adding 'geometric/tests/test_batch_opt.py'
2024-01-24T20:30:34,017   adding 'geometric/tests/test_customengine.py'
2024-01-24T20:30:34,019   adding 'geometric/tests/test_diff.py'
2024-01-24T20:30:34,020   adding 'geometric/tests/test_errors.py'
2024-01-24T20:30:34,021   adding 'geometric/tests/test_gaussian.py'
2024-01-24T20:30:34,023   adding 'geometric/tests/test_hessian.py'
2024-01-24T20:30:34,024   adding 'geometric/tests/test_internal.py'
2024-01-24T20:30:34,025   adding 'geometric/tests/test_minimize.py'
2024-01-24T20:30:34,028   adding 'geometric/tests/test_molecule.py'
2024-01-24T20:30:34,031   adding 'geometric/tests/test_nifty.py'
2024-01-24T20:30:34,033   adding 'geometric/tests/test_openmm.py'
2024-01-24T20:30:34,034   adding 'geometric/tests/test_params.py'
2024-01-24T20:30:34,035   adding 'geometric/tests/test_prepare.py'
2024-01-24T20:30:34,037   adding 'geometric/tests/test_qcengine.py'
2024-01-24T20:30:34,038   adding 'geometric/tests/test_rotate.py'
2024-01-24T20:30:34,040   adding 'geometric/tests/test_run_json.py'
2024-01-24T20:30:34,042   adding 'geometric/tests/test_terachem.py'
2024-01-24T20:30:34,043   adding 'geometric/tests/test_transition.py'
2024-01-24T20:30:34,046   adding 'geometric-1.0.2.dist-info/LICENSE'
2024-01-24T20:30:34,047   adding 'geometric-1.0.2.dist-info/METADATA'
2024-01-24T20:30:34,049   adding 'geometric-1.0.2.dist-info/WHEEL'
2024-01-24T20:30:34,050   adding 'geometric-1.0.2.dist-info/entry_points.txt'
2024-01-24T20:30:34,051   adding 'geometric-1.0.2.dist-info/top_level.txt'
2024-01-24T20:30:34,052   adding 'geometric-1.0.2.dist-info/zip-safe'
2024-01-24T20:30:34,054   adding 'geometric-1.0.2.dist-info/RECORD'
2024-01-24T20:30:34,062   removing build/bdist.linux-armv7l/wheel
2024-01-24T20:30:34,195   Building wheel for geometric (setup.py): finished with status 'done'
2024-01-24T20:30:34,201   Created wheel for geometric: filename=geometric-1.0.2-py3-none-any.whl size=397156 sha256=46cc36c44342345b7a4330d20279b848416ad6dc734e6d0e9002a9a74b1f2b13
2024-01-24T20:30:34,203   Stored in directory: /tmp/pip-ephem-wheel-cache-2gocqf3e/wheels/e1/31/0d/b5066f73fe258f636147e2eec1d6e8b73c686a41b422b543c0
2024-01-24T20:30:34,215 Successfully built geometric
2024-01-24T20:30:34,229 Removed build tracker: '/tmp/pip-build-tracker-saeswjtn'