2023-05-31T04:38:30,897 Created temporary directory: /tmp/pip-build-tracker-ef832fx_ 2023-05-31T04:38:30,899 Initialized build tracking at /tmp/pip-build-tracker-ef832fx_ 2023-05-31T04:38:30,900 Created build tracker: /tmp/pip-build-tracker-ef832fx_ 2023-05-31T04:38:30,900 Entered build tracker: /tmp/pip-build-tracker-ef832fx_ 2023-05-31T04:38:30,901 Created temporary directory: /tmp/pip-wheel-agb5flnq 2023-05-31T04:38:30,910 Created temporary directory: /tmp/pip-ephem-wheel-cache-85yt6uzn 2023-05-31T04:38:30,962 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-05-31T04:38:30,970 2 location(s) to search for versions of geometric: 2023-05-31T04:38:30,970 * https://pypi.org/simple/geometric/ 2023-05-31T04:38:30,970 * https://www.piwheels.org/simple/geometric/ 2023-05-31T04:38:30,971 Fetching project page and analyzing links: https://pypi.org/simple/geometric/ 2023-05-31T04:38:30,972 Getting page https://pypi.org/simple/geometric/ 2023-05-31T04:38:30,976 Found index url https://pypi.org/simple/ 2023-05-31T04:38:31,164 Fetched page https://pypi.org/simple/geometric/ as application/vnd.pypi.simple.v1+json 2023-05-31T04:38:31,174 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 2023-05-31T04:38:31,175 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 2023-05-31T04:38:31,176 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 2023-05-31T04:38:31,176 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 2023-05-31T04:38:31,177 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 2023-05-31T04:38:31,178 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 2023-05-31T04:38:31,178 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 2023-05-31T04:38:31,179 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 2023-05-31T04:38:31,180 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 2023-05-31T04:38:31,181 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 2023-05-31T04:38:31,181 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 2023-05-31T04:38:31,182 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 2023-05-31T04:38:31,183 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 2023-05-31T04:38:31,184 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 2023-05-31T04:38:31,184 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 2023-05-31T04:38:31,185 Found link https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz (from https://pypi.org/simple/geometric/), version: 1.0 2023-05-31T04:38:31,186 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 2023-05-31T04:38:31,187 Fetching project page and analyzing links: https://www.piwheels.org/simple/geometric/ 2023-05-31T04:38:31,187 Getting page https://www.piwheels.org/simple/geometric/ 2023-05-31T04:38:31,190 Found index url https://www.piwheels.org/simple/ 2023-05-31T04:38:31,396 Fetched page https://www.piwheels.org/simple/geometric/ as text/html 2023-05-31T04:38:31,409 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/) 2023-05-31T04:38:31,410 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/) 2023-05-31T04:38:31,411 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/) 2023-05-31T04:38:31,411 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/) 2023-05-31T04:38:31,412 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/) 2023-05-31T04:38:31,412 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/) 2023-05-31T04:38:31,413 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/) 2023-05-31T04:38:31,413 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/) 2023-05-31T04:38:31,414 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/) 2023-05-31T04:38:31,414 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/) 2023-05-31T04:38:31,415 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/) 2023-05-31T04:38:31,415 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/) 2023-05-31T04:38:31,416 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/) 2023-05-31T04:38:31,416 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/) 2023-05-31T04:38:31,417 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/) 2023-05-31T04:38:31,418 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/) 2023-05-31T04:38:31,418 Skipping link: not a file: https://www.piwheels.org/simple/geometric/ 2023-05-31T04:38:31,419 Skipping link: not a file: https://pypi.org/simple/geometric/ 2023-05-31T04:38:31,458 Given no hashes to check 1 links for project 'geometric': discarding no candidates 2023-05-31T04:38:31,494 Collecting geometric==1.0.1 2023-05-31T04:38:31,500 Created temporary directory: /tmp/pip-unpack-m8vpsvsa 2023-05-31T04:38:31,684 Downloading geometric-1.0.1.tar.gz (429 kB) 2023-05-31T04:38:32,439 Added geometric==1.0.1 from https://files.pythonhosted.org/packages/cd/6b/88a51a8e00d3c258609440fcf8415ee7fabdc975777b9a1bc4ad4ebcdc75/geometric-1.0.1.tar.gz to build tracker '/tmp/pip-build-tracker-ef832fx_' 2023-05-31T04:38:32,442 Running setup.py (path:/tmp/pip-wheel-agb5flnq/geometric_0fe6e0367d2f4615bbdae3b58f9110ff/setup.py) egg_info for package geometric 2023-05-31T04:38:32,443 Created temporary directory: /tmp/pip-pip-egg-info-2_mtjhuy 2023-05-31T04:38:32,444 Preparing metadata (setup.py): started 2023-05-31T04:38:32,446 Running command python setup.py egg_info 2023-05-31T04:38:34,113 running egg_info 2023-05-31T04:38:34,117 creating /tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info 2023-05-31T04:38:34,179 writing /tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/PKG-INFO 2023-05-31T04:38:34,184 writing dependency_links to /tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/dependency_links.txt 2023-05-31T04:38:34,189 writing entry points to /tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/entry_points.txt 2023-05-31T04:38:34,192 writing requirements to /tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/requires.txt 2023-05-31T04:38:34,195 writing top-level names to /tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/top_level.txt 2023-05-31T04:38:34,199 writing manifest file '/tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/SOURCES.txt' 2023-05-31T04:38:34,345 reading manifest file '/tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/SOURCES.txt' 2023-05-31T04:38:34,349 reading manifest template 'MANIFEST.in' 2023-05-31T04:38:34,616 adding license file 'LICENSE' 2023-05-31T04:38:34,632 writing manifest file '/tmp/pip-pip-egg-info-2_mtjhuy/geometric.egg-info/SOURCES.txt' 2023-05-31T04:38:34,755 Preparing metadata (setup.py): finished with status 'done' 2023-05-31T04:38:34,768 Source in /tmp/pip-wheel-agb5flnq/geometric_0fe6e0367d2f4615bbdae3b58f9110ff has version 1.0.1, which satisfies requirement geometric==1.0.1 from https://files.pythonhosted.org/packages/cd/6b/88a51a8e00d3c258609440fcf8415ee7fabdc975777b9a1bc4ad4ebcdc75/geometric-1.0.1.tar.gz 2023-05-31T04:38:34,770 Removed geometric==1.0.1 from https://files.pythonhosted.org/packages/cd/6b/88a51a8e00d3c258609440fcf8415ee7fabdc975777b9a1bc4ad4ebcdc75/geometric-1.0.1.tar.gz from build tracker '/tmp/pip-build-tracker-ef832fx_' 2023-05-31T04:38:34,782 Created temporary directory: /tmp/pip-unpack-8bmlph68 2023-05-31T04:38:34,783 Building wheels for collected packages: geometric 2023-05-31T04:38:34,792 Created temporary directory: /tmp/pip-wheel-c8j2w14v 2023-05-31T04:38:34,792 Building wheel for geometric (setup.py): started 2023-05-31T04:38:34,795 Destination directory: /tmp/pip-wheel-c8j2w14v 2023-05-31T04:38:34,795 Running command python setup.py bdist_wheel 2023-05-31T04:38:36,498 running bdist_wheel 2023-05-31T04:38:37,213 running build 2023-05-31T04:38:37,214 running build_py 2023-05-31T04:38:37,229 creating build 2023-05-31T04:38:37,230 creating build/lib 2023-05-31T04:38:37,232 creating build/lib/geometric 2023-05-31T04:38:37,234 copying geometric/run_json.py -> build/lib/geometric 2023-05-31T04:38:37,239 copying geometric/internal.py -> build/lib/geometric 2023-05-31T04:38:37,252 copying geometric/step.py -> build/lib/geometric 2023-05-31T04:38:37,259 copying geometric/normal_modes.py -> build/lib/geometric 2023-05-31T04:38:37,266 copying geometric/info.py -> build/lib/geometric 2023-05-31T04:38:37,270 copying geometric/internal4.py -> build/lib/geometric 2023-05-31T04:38:37,284 copying geometric/molecule.py -> build/lib/geometric 2023-05-31T04:38:37,298 copying geometric/params.py -> build/lib/geometric 2023-05-31T04:38:37,304 copying geometric/_version.py -> build/lib/geometric 2023-05-31T04:38:37,308 copying geometric/errors.py -> build/lib/geometric 2023-05-31T04:38:37,312 copying geometric/rotate.py -> build/lib/geometric 2023-05-31T04:38:37,319 copying geometric/ic_tools.py -> build/lib/geometric 2023-05-31T04:38:37,323 copying geometric/run_ase.py -> build/lib/geometric 2023-05-31T04:38:37,327 copying geometric/internal2.py -> build/lib/geometric 2023-05-31T04:38:37,332 copying geometric/internal_exp.py -> build/lib/geometric 2023-05-31T04:38:37,336 copying geometric/nifty.py -> build/lib/geometric 2023-05-31T04:38:37,344 copying geometric/internal3.py -> build/lib/geometric 2023-05-31T04:38:37,358 copying geometric/PDB.py -> build/lib/geometric 2023-05-31T04:38:37,367 copying geometric/__init__.py -> build/lib/geometric 2023-05-31T04:38:37,371 copying geometric/ase_engine.py -> build/lib/geometric 2023-05-31T04:38:37,374 copying geometric/optimize.py -> build/lib/geometric 2023-05-31T04:38:37,380 copying geometric/prepare.py -> build/lib/geometric 2023-05-31T04:38:37,386 copying geometric/engine.py -> build/lib/geometric 2023-05-31T04:38:37,395 copying geometric/internal_heepark.py -> build/lib/geometric 2023-05-31T04:38:37,408 copying geometric/internal1.py -> build/lib/geometric 2023-05-31T04:38:37,415 creating build/lib/geometric/tests 2023-05-31T04:38:37,417 copying geometric/tests/test_minimize.py -> build/lib/geometric/tests 2023-05-31T04:38:37,421 copying geometric/tests/test_nifty.py -> build/lib/geometric/tests 2023-05-31T04:38:37,427 copying geometric/tests/conftest.py -> build/lib/geometric/tests 2023-05-31T04:38:37,431 copying geometric/tests/test_openmm.py -> build/lib/geometric/tests 2023-05-31T04:38:37,435 copying geometric/tests/test_prepare.py -> build/lib/geometric/tests 2023-05-31T04:38:37,440 copying geometric/tests/test_ase_engine.py -> build/lib/geometric/tests 2023-05-31T04:38:37,444 copying geometric/tests/test_run_json.py -> build/lib/geometric/tests 2023-05-31T04:38:37,449 copying geometric/tests/test_params.py -> build/lib/geometric/tests 2023-05-31T04:38:37,453 copying geometric/tests/test_gaussian.py -> build/lib/geometric/tests 2023-05-31T04:38:37,458 copying geometric/tests/test_errors.py -> build/lib/geometric/tests 2023-05-31T04:38:37,463 copying geometric/tests/test_batch_opt.py -> build/lib/geometric/tests 2023-05-31T04:38:37,468 copying geometric/tests/test_terachem.py -> build/lib/geometric/tests 2023-05-31T04:38:37,473 copying geometric/tests/test_molecule.py -> build/lib/geometric/tests 2023-05-31T04:38:37,479 copying geometric/tests/test_hessian.py -> build/lib/geometric/tests 2023-05-31T04:38:37,484 copying geometric/tests/test_internal.py -> build/lib/geometric/tests 2023-05-31T04:38:37,489 copying geometric/tests/test_transition.py -> build/lib/geometric/tests 2023-05-31T04:38:37,494 copying geometric/tests/test_customengine.py -> build/lib/geometric/tests 2023-05-31T04:38:37,498 copying geometric/tests/test_diff.py -> build/lib/geometric/tests 2023-05-31T04:38:37,503 copying geometric/tests/__init__.py -> build/lib/geometric/tests 2023-05-31T04:38:37,507 copying geometric/tests/test_qcengine.py -> build/lib/geometric/tests 2023-05-31T04:38:37,511 copying geometric/tests/test_rotate.py -> build/lib/geometric/tests 2023-05-31T04:38:37,516 copying geometric/tests/addons.py -> build/lib/geometric/tests 2023-05-31T04:38:37,519 running egg_info 2023-05-31T04:38:37,658 writing geometric.egg-info/PKG-INFO 2023-05-31T04:38:37,662 writing dependency_links to geometric.egg-info/dependency_links.txt 2023-05-31T04:38:37,666 writing entry points to geometric.egg-info/entry_points.txt 2023-05-31T04:38:37,670 writing requirements to geometric.egg-info/requires.txt 2023-05-31T04:38:37,673 writing top-level names to geometric.egg-info/top_level.txt 2023-05-31T04:38:37,750 reading manifest file 'geometric.egg-info/SOURCES.txt' 2023-05-31T04:38:37,773 reading manifest template 'MANIFEST.in' 2023-05-31T04:38:38,009 adding license file 'LICENSE' 2023-05-31T04:38:38,027 writing manifest file 'geometric.egg-info/SOURCES.txt' 2023-05-31T04:38:38,035 /home/piwheels/.local/lib/python3.7/site-packages/setuptools/command/build_py.py:201: _Warning: Package 'geometric.config' is absent from the `packages` configuration. 2023-05-31T04:38:38,036 !! 2023-05-31T04:38:38,036 ******************************************************************************** 2023-05-31T04:38:38,037 ############################ 2023-05-31T04:38:38,037 # Package would be ignored # 2023-05-31T04:38:38,037 ############################ 2023-05-31T04:38:38,038 Python recognizes 'geometric.config' as an importable package[^1], 2023-05-31T04:38:38,038 but it is absent from setuptools' `packages` configuration. 2023-05-31T04:38:38,039 This leads to an ambiguous overall configuration. If you want to distribute this 2023-05-31T04:38:38,039 package, please make sure that 'geometric.config' is explicitly added 2023-05-31T04:38:38,039 to the `packages` configuration field. 2023-05-31T04:38:38,040 Alternatively, you can also rely on setuptools' discovery methods 2023-05-31T04:38:38,040 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-05-31T04:38:38,040 instead of `find_packages(...)`/`find:`). 2023-05-31T04:38:38,041 You can read more about "package discovery" on setuptools documentation page: 2023-05-31T04:38:38,042 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-05-31T04:38:38,042 If you don't want 'geometric.config' to be distributed and are 2023-05-31T04:38:38,042 already explicitly excluding 'geometric.config' via 2023-05-31T04:38:38,043 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-05-31T04:38:38,043 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-05-31T04:38:38,043 combination with a more fine grained `package-data` configuration. 2023-05-31T04:38:38,044 You can read more about "package data files" on setuptools documentation page: 2023-05-31T04:38:38,045 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-05-31T04:38:38,045 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-05-31T04:38:38,046 even if it does not contain any `.py` files. 2023-05-31T04:38:38,046 On the other hand, currently there is no concept of package data 2023-05-31T04:38:38,046 directory, all directories are treated like packages. 2023-05-31T04:38:38,047 ******************************************************************************** 2023-05-31T04:38:38,047 !! 2023-05-31T04:38:38,048 check.warn(importable) 2023-05-31T04:38:38,048 /home/piwheels/.local/lib/python3.7/site-packages/setuptools/command/build_py.py:201: _Warning: Package 'geometric.data' is absent from the `packages` configuration. 2023-05-31T04:38:38,048 !! 2023-05-31T04:38:38,049 ******************************************************************************** 2023-05-31T04:38:38,049 ############################ 2023-05-31T04:38:38,049 # Package would be ignored # 2023-05-31T04:38:38,050 ############################ 2023-05-31T04:38:38,050 Python recognizes 'geometric.data' as an importable package[^1], 2023-05-31T04:38:38,050 but it is absent from setuptools' `packages` configuration. 2023-05-31T04:38:38,051 This leads to an ambiguous overall configuration. If you want to distribute this 2023-05-31T04:38:38,052 package, please make sure that 'geometric.data' is explicitly added 2023-05-31T04:38:38,053 to the `packages` configuration field. 2023-05-31T04:38:38,053 Alternatively, you can also rely on setuptools' discovery methods 2023-05-31T04:38:38,054 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-05-31T04:38:38,054 instead of `find_packages(...)`/`find:`). 2023-05-31T04:38:38,054 You can read more about "package discovery" on setuptools documentation page: 2023-05-31T04:38:38,055 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-05-31T04:38:38,056 If you don't want 'geometric.data' to be distributed and are 2023-05-31T04:38:38,056 already explicitly excluding 'geometric.data' via 2023-05-31T04:38:38,056 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-05-31T04:38:38,057 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-05-31T04:38:38,057 combination with a more fine grained `package-data` configuration. 2023-05-31T04:38:38,057 You can read more about "package data files" on setuptools documentation page: 2023-05-31T04:38:38,058 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-05-31T04:38:38,059 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-05-31T04:38:38,059 even if it does not contain any `.py` files. 2023-05-31T04:38:38,059 On the other hand, currently there is no concept of package data 2023-05-31T04:38:38,060 directory, all directories are treated like packages. 2023-05-31T04:38:38,060 ******************************************************************************** 2023-05-31T04:38:38,061 !! 2023-05-31T04:38:38,061 check.warn(importable) 2023-05-31T04:38:38,070 creating build/lib/geometric/config 2023-05-31T04:38:38,071 copying geometric/config/log.ini -> build/lib/geometric/config 2023-05-31T04:38:38,076 copying geometric/config/logConsole.ini -> build/lib/geometric/config 2023-05-31T04:38:38,080 copying geometric/config/logJson.ini -> build/lib/geometric/config 2023-05-31T04:38:38,084 creating build/lib/geometric/data 2023-05-31T04:38:38,086 copying geometric/data/adamantane.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,090 copying geometric/data/ala.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,094 copying geometric/data/ala_a99sb_min.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,098 copying geometric/data/ala_constraints.txt -> build/lib/geometric/data 2023-05-31T04:38:38,103 copying geometric/data/alaglu.gro -> build/lib/geometric/data 2023-05-31T04:38:38,108 copying geometric/data/assort.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,112 copying geometric/data/bicyclo222octane.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,117 copying geometric/data/bucky-argmin-indices.txt -> build/lib/geometric/data 2023-05-31T04:38:38,122 copying geometric/data/bucky-energies.txt -> build/lib/geometric/data 2023-05-31T04:38:38,127 copying geometric/data/c60.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,132 copying geometric/data/captan.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,136 copying geometric/data/captan.xml -> build/lib/geometric/data 2023-05-31T04:38:38,143 copying geometric/data/cholesterol.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,148 copying geometric/data/coronene.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,152 copying geometric/data/cubane.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,156 copying geometric/data/ethanol.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,160 copying geometric/data/ethanol.xml -> build/lib/geometric/data 2023-05-31T04:38:38,165 copying geometric/data/fenestradiene.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,170 copying geometric/data/h2o2_h2o.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,175 copying geometric/data/h2o2_h2o_system.xml -> build/lib/geometric/data 2023-05-31T04:38:38,179 copying geometric/data/hcn_ts_optim.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,183 copying geometric/data/hcn_ts_optim_xtb.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,187 copying geometric/data/hcn_tsguess.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,191 copying geometric/data/hcn_tsguess_hessian.txt -> build/lib/geometric/data 2023-05-31T04:38:38,195 copying geometric/data/linalg_torsion_constraints.txt -> build/lib/geometric/data 2023-05-31T04:38:38,199 copying geometric/data/naphthax.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,203 copying geometric/data/neu5ac.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,207 copying geometric/data/parser_options.txt -> build/lib/geometric/data 2023-05-31T04:38:38,211 copying geometric/data/porphin.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,215 copying geometric/data/propynimine-ts-optimized.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,219 copying geometric/data/propynimine-tsguess-hessian.txt -> build/lib/geometric/data 2023-05-31T04:38:38,224 copying geometric/data/randn_1k.txt -> build/lib/geometric/data 2023-05-31T04:38:38,229 copying geometric/data/reaction_000_deci.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,238 copying geometric/data/spc216.gro -> build/lib/geometric/data 2023-05-31T04:38:38,245 copying geometric/data/tetrahedrane.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,249 copying geometric/data/triclinic.gro -> build/lib/geometric/data 2023-05-31T04:38:38,254 copying geometric/data/vancomycin.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,259 copying geometric/data/water12.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,263 copying geometric/data/water12.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,267 copying geometric/data/water1_hessian_gfn2-xtb.txt -> build/lib/geometric/data 2023-05-31T04:38:38,271 copying geometric/data/water3.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,275 copying geometric/data/water5.xyz -> build/lib/geometric/data 2023-05-31T04:38:38,279 copying geometric/data/water6.pdb -> build/lib/geometric/data 2023-05-31T04:38:38,293 UPDATING build/lib/geometric/_version.py 2023-05-31T04:38:38,296 set build/lib/geometric/_version.py to '1.0.1' 2023-05-31T04:38:38,368 /home/piwheels/.local/lib/python3.7/site-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2023-05-31T04:38:38,369 !! 2023-05-31T04:38:38,370 ******************************************************************************** 2023-05-31T04:38:38,370 Please avoid running ``setup.py`` directly. 2023-05-31T04:38:38,370 Instead, use pypa/build, pypa/installer, pypa/build or 2023-05-31T04:38:38,371 other standards-based tools. 2023-05-31T04:38:38,371 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2023-05-31T04:38:38,372 ******************************************************************************** 2023-05-31T04:38:38,372 !! 2023-05-31T04:38:38,373 self.initialize_options() 2023-05-31T04:38:38,435 installing to build/bdist.linux-armv7l/wheel 2023-05-31T04:38:38,436 running install 2023-05-31T04:38:38,497 running install_lib 2023-05-31T04:38:38,565 creating build/bdist.linux-armv7l 2023-05-31T04:38:38,566 creating build/bdist.linux-armv7l/wheel 2023-05-31T04:38:38,570 creating build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,573 copying build/lib/geometric/run_json.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,578 copying build/lib/geometric/internal.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,589 copying build/lib/geometric/step.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,595 copying build/lib/geometric/normal_modes.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,600 copying build/lib/geometric/info.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,604 copying build/lib/geometric/internal4.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,618 copying build/lib/geometric/molecule.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,634 creating build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,636 copying build/lib/geometric/data/water5.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,640 copying build/lib/geometric/data/captan.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,645 copying build/lib/geometric/data/triclinic.gro -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,650 copying build/lib/geometric/data/ethanol.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,653 copying build/lib/geometric/data/coronene.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,656 copying build/lib/geometric/data/cholesterol.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,660 copying build/lib/geometric/data/reaction_000_deci.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,668 copying build/lib/geometric/data/water12.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,672 copying build/lib/geometric/data/alaglu.gro -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,675 copying build/lib/geometric/data/bicyclo222octane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,679 copying build/lib/geometric/data/fenestradiene.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,683 copying build/lib/geometric/data/assort.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,687 copying build/lib/geometric/data/linalg_torsion_constraints.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,692 copying build/lib/geometric/data/ala_constraints.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,695 copying build/lib/geometric/data/cubane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,698 copying build/lib/geometric/data/spc216.gro -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,704 copying build/lib/geometric/data/water3.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,707 copying build/lib/geometric/data/hcn_tsguess.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,712 copying build/lib/geometric/data/ethanol.xml -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,716 copying build/lib/geometric/data/porphin.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,719 copying build/lib/geometric/data/propynimine-ts-optimized.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,723 copying build/lib/geometric/data/bucky-argmin-indices.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,726 copying build/lib/geometric/data/hcn_ts_optim.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,729 copying build/lib/geometric/data/h2o2_h2o.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,733 copying build/lib/geometric/data/water6.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,736 copying build/lib/geometric/data/propynimine-tsguess-hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,741 copying build/lib/geometric/data/tetrahedrane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,744 copying build/lib/geometric/data/vancomycin.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,748 copying build/lib/geometric/data/neu5ac.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,752 copying build/lib/geometric/data/ala.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,755 copying build/lib/geometric/data/c60.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,759 copying build/lib/geometric/data/ala_a99sb_min.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,762 copying build/lib/geometric/data/naphthax.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,766 copying build/lib/geometric/data/bucky-energies.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,769 copying build/lib/geometric/data/h2o2_h2o_system.xml -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,772 copying build/lib/geometric/data/water12.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,776 copying build/lib/geometric/data/parser_options.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,780 copying build/lib/geometric/data/hcn_tsguess_hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,784 copying build/lib/geometric/data/water1_hessian_gfn2-xtb.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,787 copying build/lib/geometric/data/hcn_ts_optim_xtb.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,791 copying build/lib/geometric/data/captan.xml -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,796 copying build/lib/geometric/data/randn_1k.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,802 copying build/lib/geometric/data/adamantane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2023-05-31T04:38:38,806 copying build/lib/geometric/params.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,811 copying build/lib/geometric/_version.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,815 copying build/lib/geometric/errors.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,818 copying build/lib/geometric/rotate.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,825 creating build/bdist.linux-armv7l/wheel/geometric/config 2023-05-31T04:38:38,826 copying build/lib/geometric/config/log.ini -> build/bdist.linux-armv7l/wheel/geometric/config 2023-05-31T04:38:38,830 copying build/lib/geometric/config/logConsole.ini -> build/bdist.linux-armv7l/wheel/geometric/config 2023-05-31T04:38:38,834 copying build/lib/geometric/config/logJson.ini -> build/bdist.linux-armv7l/wheel/geometric/config 2023-05-31T04:38:38,837 copying build/lib/geometric/ic_tools.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,841 copying build/lib/geometric/run_ase.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,845 copying build/lib/geometric/internal2.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,849 copying build/lib/geometric/internal_exp.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,853 copying build/lib/geometric/nifty.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,861 copying build/lib/geometric/internal3.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,876 copying build/lib/geometric/PDB.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,886 copying build/lib/geometric/__init__.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,889 copying build/lib/geometric/ase_engine.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,895 creating build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,896 copying build/lib/geometric/tests/test_minimize.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,900 copying build/lib/geometric/tests/test_nifty.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,905 copying build/lib/geometric/tests/conftest.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,909 copying build/lib/geometric/tests/test_openmm.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,914 copying build/lib/geometric/tests/test_prepare.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,918 copying build/lib/geometric/tests/test_ase_engine.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,922 copying build/lib/geometric/tests/test_run_json.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,926 copying build/lib/geometric/tests/test_params.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,930 copying build/lib/geometric/tests/test_gaussian.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,934 copying build/lib/geometric/tests/test_errors.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,938 copying build/lib/geometric/tests/test_batch_opt.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,943 copying build/lib/geometric/tests/test_terachem.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,947 copying build/lib/geometric/tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,953 copying build/lib/geometric/tests/test_hessian.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,958 copying build/lib/geometric/tests/test_internal.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,961 copying build/lib/geometric/tests/test_transition.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,966 copying build/lib/geometric/tests/test_customengine.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,969 copying build/lib/geometric/tests/test_diff.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,973 copying build/lib/geometric/tests/__init__.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,976 copying build/lib/geometric/tests/test_qcengine.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,979 copying build/lib/geometric/tests/test_rotate.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,984 copying build/lib/geometric/tests/addons.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2023-05-31T04:38:38,988 copying build/lib/geometric/optimize.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:38,995 copying build/lib/geometric/prepare.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:39,001 copying build/lib/geometric/engine.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:39,009 copying build/lib/geometric/internal_heepark.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:39,023 copying build/lib/geometric/internal1.py -> build/bdist.linux-armv7l/wheel/geometric 2023-05-31T04:38:39,027 running install_egg_info 2023-05-31T04:38:39,101 Copying geometric.egg-info to build/bdist.linux-armv7l/wheel/geometric-1.0.1-py3.7.egg-info 2023-05-31T04:38:39,128 running install_scripts 2023-05-31T04:38:39,164 creating build/bdist.linux-armv7l/wheel/geometric-1.0.1.dist-info/WHEEL 2023-05-31T04:38:39,169 creating '/tmp/pip-wheel-c8j2w14v/geometric-1.0.1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2023-05-31T04:38:39,195 adding 'geometric/PDB.py' 2023-05-31T04:38:39,200 adding 'geometric/__init__.py' 2023-05-31T04:38:39,203 adding 'geometric/_version.py' 2023-05-31T04:38:39,206 adding 'geometric/ase_engine.py' 2023-05-31T04:38:39,226 adding 'geometric/engine.py' 2023-05-31T04:38:39,230 adding 'geometric/errors.py' 2023-05-31T04:38:39,235 adding 'geometric/ic_tools.py' 2023-05-31T04:38:39,239 adding 'geometric/info.py' 2023-05-31T04:38:39,276 adding 'geometric/internal.py' 2023-05-31T04:38:39,283 adding 'geometric/internal1.py' 2023-05-31T04:38:39,286 adding 'geometric/internal2.py' 2023-05-31T04:38:39,331 adding 'geometric/internal3.py' 2023-05-31T04:38:39,379 adding 'geometric/internal4.py' 2023-05-31T04:38:39,386 adding 'geometric/internal_exp.py' 2023-05-31T04:38:39,424 adding 'geometric/internal_heepark.py' 2023-05-31T04:38:39,495 adding 'geometric/molecule.py' 2023-05-31T04:38:39,520 adding 'geometric/nifty.py' 2023-05-31T04:38:39,536 adding 'geometric/normal_modes.py' 2023-05-31T04:38:39,553 adding 'geometric/optimize.py' 2023-05-31T04:38:39,563 adding 'geometric/params.py' 2023-05-31T04:38:39,572 adding 'geometric/prepare.py' 2023-05-31T04:38:39,584 adding 'geometric/rotate.py' 2023-05-31T04:38:39,587 adding 'geometric/run_ase.py' 2023-05-31T04:38:39,592 adding 'geometric/run_json.py' 2023-05-31T04:38:39,602 adding 'geometric/step.py' 2023-05-31T04:38:39,607 adding 'geometric/config/log.ini' 2023-05-31T04:38:39,609 adding 'geometric/config/logConsole.ini' 2023-05-31T04:38:39,612 adding 'geometric/config/logJson.ini' 2023-05-31T04:38:39,617 adding 'geometric/data/adamantane.xyz' 2023-05-31T04:38:39,620 adding 'geometric/data/ala.pdb' 2023-05-31T04:38:39,623 adding 'geometric/data/ala_a99sb_min.pdb' 2023-05-31T04:38:39,625 adding 'geometric/data/ala_constraints.txt' 2023-05-31T04:38:39,628 adding 'geometric/data/alaglu.gro' 2023-05-31T04:38:39,631 adding 'geometric/data/assort.xyz' 2023-05-31T04:38:39,634 adding 'geometric/data/bicyclo222octane.xyz' 2023-05-31T04:38:39,636 adding 'geometric/data/bucky-argmin-indices.txt' 2023-05-31T04:38:39,639 adding 'geometric/data/bucky-energies.txt' 2023-05-31T04:38:39,642 adding 'geometric/data/c60.xyz' 2023-05-31T04:38:39,645 adding 'geometric/data/captan.pdb' 2023-05-31T04:38:39,651 adding 'geometric/data/captan.xml' 2023-05-31T04:38:39,655 adding 'geometric/data/cholesterol.xyz' 2023-05-31T04:38:39,657 adding 'geometric/data/coronene.xyz' 2023-05-31T04:38:39,660 adding 'geometric/data/cubane.xyz' 2023-05-31T04:38:39,663 adding 'geometric/data/ethanol.pdb' 2023-05-31T04:38:39,666 adding 'geometric/data/ethanol.xml' 2023-05-31T04:38:39,670 adding 'geometric/data/fenestradiene.xyz' 2023-05-31T04:38:39,673 adding 'geometric/data/h2o2_h2o.pdb' 2023-05-31T04:38:39,676 adding 'geometric/data/h2o2_h2o_system.xml' 2023-05-31T04:38:39,679 adding 'geometric/data/hcn_ts_optim.xyz' 2023-05-31T04:38:39,681 adding 'geometric/data/hcn_ts_optim_xtb.xyz' 2023-05-31T04:38:39,684 adding 'geometric/data/hcn_tsguess.xyz' 2023-05-31T04:38:39,686 adding 'geometric/data/hcn_tsguess_hessian.txt' 2023-05-31T04:38:39,689 adding 'geometric/data/linalg_torsion_constraints.txt' 2023-05-31T04:38:39,692 adding 'geometric/data/naphthax.xyz' 2023-05-31T04:38:39,695 adding 'geometric/data/neu5ac.pdb' 2023-05-31T04:38:39,697 adding 'geometric/data/parser_options.txt' 2023-05-31T04:38:39,700 adding 'geometric/data/porphin.xyz' 2023-05-31T04:38:39,703 adding 'geometric/data/propynimine-ts-optimized.xyz' 2023-05-31T04:38:39,708 adding 'geometric/data/propynimine-tsguess-hessian.txt' 2023-05-31T04:38:39,720 adding 'geometric/data/randn_1k.txt' 2023-05-31T04:38:39,748 adding 'geometric/data/reaction_000_deci.xyz' 2023-05-31T04:38:39,766 adding 'geometric/data/spc216.gro' 2023-05-31T04:38:39,769 adding 'geometric/data/tetrahedrane.xyz' 2023-05-31T04:38:39,777 adding 'geometric/data/triclinic.gro' 2023-05-31T04:38:39,783 adding 'geometric/data/vancomycin.pdb' 2023-05-31T04:38:39,786 adding 'geometric/data/water12.pdb' 2023-05-31T04:38:39,789 adding 'geometric/data/water12.xyz' 2023-05-31T04:38:39,792 adding 'geometric/data/water1_hessian_gfn2-xtb.txt' 2023-05-31T04:38:39,795 adding 'geometric/data/water3.pdb' 2023-05-31T04:38:39,798 adding 'geometric/data/water5.xyz' 2023-05-31T04:38:39,801 adding 'geometric/data/water6.pdb' 2023-05-31T04:38:39,805 adding 'geometric/tests/__init__.py' 2023-05-31T04:38:39,808 adding 'geometric/tests/addons.py' 2023-05-31T04:38:39,810 adding 'geometric/tests/conftest.py' 2023-05-31T04:38:39,813 adding 'geometric/tests/test_ase_engine.py' 2023-05-31T04:38:39,817 adding 'geometric/tests/test_batch_opt.py' 2023-05-31T04:38:39,820 adding 'geometric/tests/test_customengine.py' 2023-05-31T04:38:39,823 adding 'geometric/tests/test_diff.py' 2023-05-31T04:38:39,826 adding 'geometric/tests/test_errors.py' 2023-05-31T04:38:39,830 adding 'geometric/tests/test_gaussian.py' 2023-05-31T04:38:39,833 adding 'geometric/tests/test_hessian.py' 2023-05-31T04:38:39,836 adding 'geometric/tests/test_internal.py' 2023-05-31T04:38:39,839 adding 'geometric/tests/test_minimize.py' 2023-05-31T04:38:39,846 adding 'geometric/tests/test_molecule.py' 2023-05-31T04:38:39,852 adding 'geometric/tests/test_nifty.py' 2023-05-31T04:38:39,856 adding 'geometric/tests/test_openmm.py' 2023-05-31T04:38:39,859 adding 'geometric/tests/test_params.py' 2023-05-31T04:38:39,863 adding 'geometric/tests/test_prepare.py' 2023-05-31T04:38:39,866 adding 'geometric/tests/test_qcengine.py' 2023-05-31T04:38:39,869 adding 'geometric/tests/test_rotate.py' 2023-05-31T04:38:39,873 adding 'geometric/tests/test_run_json.py' 2023-05-31T04:38:39,877 adding 'geometric/tests/test_terachem.py' 2023-05-31T04:38:39,880 adding 'geometric/tests/test_transition.py' 2023-05-31T04:38:39,886 adding 'geometric-1.0.1.dist-info/LICENSE' 2023-05-31T04:38:39,889 adding 'geometric-1.0.1.dist-info/METADATA' 2023-05-31T04:38:39,891 adding 'geometric-1.0.1.dist-info/WHEEL' 2023-05-31T04:38:39,893 adding 'geometric-1.0.1.dist-info/entry_points.txt' 2023-05-31T04:38:39,895 adding 'geometric-1.0.1.dist-info/top_level.txt' 2023-05-31T04:38:39,897 adding 'geometric-1.0.1.dist-info/zip-safe' 2023-05-31T04:38:39,902 adding 'geometric-1.0.1.dist-info/RECORD' 2023-05-31T04:38:39,923 removing build/bdist.linux-armv7l/wheel 2023-05-31T04:38:40,128 Building wheel for geometric (setup.py): finished with status 'done' 2023-05-31T04:38:40,148 Created wheel for geometric: filename=geometric-1.0.1-py3-none-any.whl size=445148 sha256=fc4577b11d179c37af2751a7e75ec7c50cc991760f369dfc839c8028a3d807d3 2023-05-31T04:38:40,151 Stored in directory: /tmp/pip-ephem-wheel-cache-85yt6uzn/wheels/45/bf/84/28ef19a601fbcff85f2c4dfae0e6c519d9efd62f5d4ffe2f64 2023-05-31T04:38:40,185 Successfully built geometric 2023-05-31T04:38:40,233 Removed build tracker: '/tmp/pip-build-tracker-ef832fx_'