2022-10-12T18:46:46,068 Created temporary directory: /tmp/pip-ephem-wheel-cache-ziij147s 2022-10-12T18:46:46,073 Created temporary directory: /tmp/pip-build-tracker-34cqm7cd 2022-10-12T18:46:46,074 Initialized build tracking at /tmp/pip-build-tracker-34cqm7cd 2022-10-12T18:46:46,075 Created build tracker: /tmp/pip-build-tracker-34cqm7cd 2022-10-12T18:46:46,075 Entered build tracker: /tmp/pip-build-tracker-34cqm7cd 2022-10-12T18:46:46,076 Created temporary directory: /tmp/pip-wheel-lik0cv3p 2022-10-12T18:46:46,140 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2022-10-12T18:46:46,148 2 location(s) to search for versions of geometric: 2022-10-12T18:46:46,148 * https://pypi.org/simple/geometric/ 2022-10-12T18:46:46,148 * https://www.piwheels.org/simple/geometric/ 2022-10-12T18:46:46,149 Fetching project page and analyzing links: https://pypi.org/simple/geometric/ 2022-10-12T18:46:46,150 Getting page https://pypi.org/simple/geometric/ 2022-10-12T18:46:46,153 Found index url https://pypi.org/simple 2022-10-12T18:46:46,343 Found link https://files.pythonhosted.org/packages/e9/77/a4780abe1e809e3ae2346d49e78f6319a3f27e7dd1c079c51a16a25540e4/geometric-0.8.3.tar.gz#sha256=fd2dfc9e8406d6f4f64a77ecdc8dacaf08907b873d5308393aa1cb87c699aade (from https://pypi.org/simple/geometric/), version: 0.8.3 2022-10-12T18:46:46,344 Found link https://files.pythonhosted.org/packages/29/01/4964331938caa35174aa0496a8af01b2e4ea2ab39bbcd1642ba21042388b/geometric-0.8.6.tar.gz#sha256=7b1c80033003c958a6059836eb058357996a04c8f24f0775aaf797ddc604b571 (from https://pypi.org/simple/geometric/), version: 0.8.6 2022-10-12T18:46:46,345 Found link https://files.pythonhosted.org/packages/1e/1e/1ee5ba9e361d80f5418a9f40ec6b2bfeea1d2bd3f44166e06cba874d766d/geometric-0.8.7.tar.gz#sha256=6e60f2271e6e44df74c696fa6a69f35ddb787a4c1dd47d9195120d46b79045a5 (from https://pypi.org/simple/geometric/), version: 0.8.7 2022-10-12T18:46:46,346 Found link https://files.pythonhosted.org/packages/a2/cc/9bb09e7166419d72b6ad096a043d5816706b7381711adcbe8eb6d268a79f/geometric-0.8.8.tar.gz#sha256=998af76ad8785b89209a965933c35f935b9c1b98a4f26b02b4b74bd1145c8b1c (from https://pypi.org/simple/geometric/), version: 0.8.8 2022-10-12T18:46:46,347 Found link https://files.pythonhosted.org/packages/72/b8/da60abfc3a65ba3d261e88e977059ced24cbaf76c56533ffdfd6ac720f40/geometric-0.8.9.tar.gz#sha256=d7d812d66efb0a54d5433a1642a25102a2c2efdf9c369b424e4ae31e555927e2 (from https://pypi.org/simple/geometric/), version: 0.8.9 2022-10-12T18:46:46,347 Found link https://files.pythonhosted.org/packages/88/74/e7afe01713d89c1bbbf74614d34271eb4dda1aca4334022f5d1bcc0669a1/geometric-0.9.0.tar.gz#sha256=ea028882ccdd43dd57a60b900e3a7ff0e690b243c6b77166fe0cfee5d2f80289 (from https://pypi.org/simple/geometric/), version: 0.9.0 2022-10-12T18:46:46,348 Found link https://files.pythonhosted.org/packages/09/3c/49909e306170bea455b643eca3a546cefc6f465e2630caac19d98bd29421/geometric-0.9.1.tar.gz#sha256=1ba2f594e903201b94b22557d4633d9955aa19f93b5a80fae9de310f01ef4339 (from https://pypi.org/simple/geometric/), version: 0.9.1 2022-10-12T18:46:46,349 Found link https://files.pythonhosted.org/packages/ed/e8/9631e96ec495cf781079b811e64a4fb665a5b8754b76e38e76ff92749ad6/geometric-0.9.2.tar.gz#sha256=db343036107691cef8f6ba521430c8236a3bf1666b8be8caeedeb36e35f79431 (from https://pypi.org/simple/geometric/), version: 0.9.2 2022-10-12T18:46:46,349 Found link https://files.pythonhosted.org/packages/33/88/afa15016a82669b9a9c432fbed31dfa4dc8487b9691ee5d9f1924ee70deb/geometric-0.9.3.tar.gz#sha256=4205199e9dc6d2587faa54b925ffc2e4f7471456add95ff4753d080091306a18 (from https://pypi.org/simple/geometric/), version: 0.9.3 2022-10-12T18:46:46,350 Found link https://files.pythonhosted.org/packages/0b/69/4e81e0255c1f9cd334d98be1543674b42e4b47ddcb08bcce34b11bb1f1d5/geometric-0.9.4.tar.gz#sha256=f5eb6b3659ce2902d1f4d841160dcc6332341bf302f94c4418696a551e38dbaf (from https://pypi.org/simple/geometric/), version: 0.9.4 2022-10-12T18:46:46,351 Found link https://files.pythonhosted.org/packages/52/b5/dfe255ea8a62b9f540860c4a470c5db2b80715c2ce6c544e8854de3e83f6/geometric-0.9.5.tar.gz#sha256=3b7ccab62b758957b61217234a7f072f0430f7c6c8c027515ee079e84837b174 (from https://pypi.org/simple/geometric/), version: 0.9.5 2022-10-12T18:46:46,352 Found link https://files.pythonhosted.org/packages/eb/0e/30eae707c741aecbb806d50139da210eec6f8b56b492f7838c8f43c90034/geometric-0.9.5.1.tar.gz#sha256=ce0dfdaea50410f52a6378caa0d4029701aad91f9cdd21c207ccf2d0f6d05f9c (from https://pypi.org/simple/geometric/), version: 0.9.5.1 2022-10-12T18:46:46,352 Found link https://files.pythonhosted.org/packages/0c/73/bedc8394af2e9651e9d7cffac9225f9c022d8107d3bfa8873f1124fd52f3/geometric-0.9.6.tar.gz#sha256=3afef468d1b9c928f54b88b61665b5de2074a25448fa72a3ecc0bcbae97e7e33 (from https://pypi.org/simple/geometric/), version: 0.9.6 2022-10-12T18:46:46,353 Found link https://files.pythonhosted.org/packages/eb/5c/fc91dcbb44303eb62741c0841251211b416b18e44c53cd49e8d5d7f4b7e1/geometric-0.9.7.1.tar.gz#sha256=900937f14430e5c6cff077ba4ffd1e76385040c94a8ea29fbe23ebeb81f13f73 (from https://pypi.org/simple/geometric/), version: 0.9.7.1 2022-10-12T18:46:46,354 Found link https://files.pythonhosted.org/packages/be/e7/f0f7f884db650462b633b27c70b5816aa4fa0c689c81e66f7fd2ea823086/geometric-0.9.7.2.tar.gz#sha256=6f69c8c31a188730e2b0f297aa17c66b2518b32c270bda29b6d62cbbffee3bdd (from https://pypi.org/simple/geometric/), version: 0.9.7.2 2022-10-12T18:46:46,355 Found link https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz#sha256=905f4f1a23f72c80788974e57cf9fcc08730c1d4ce994f1114745c3ebcfd4cce (from https://pypi.org/simple/geometric/), version: 1.0 2022-10-12T18:46:46,355 Fetching project page and analyzing links: https://www.piwheels.org/simple/geometric/ 2022-10-12T18:46:46,356 Getting page https://www.piwheels.org/simple/geometric/ 2022-10-12T18:46:46,358 Found index url https://www.piwheels.org/simple 2022-10-12T18:46:46,590 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/) 2022-10-12T18:46:46,591 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/) 2022-10-12T18:46:46,591 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/) 2022-10-12T18:46:46,592 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/) 2022-10-12T18:46:46,592 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/) 2022-10-12T18:46:46,593 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/) 2022-10-12T18:46:46,593 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/) 2022-10-12T18:46:46,594 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/) 2022-10-12T18:46:46,595 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/) 2022-10-12T18:46:46,595 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/) 2022-10-12T18:46:46,596 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/) 2022-10-12T18:46:46,596 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/) 2022-10-12T18:46:46,597 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/) 2022-10-12T18:46:46,597 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/) 2022-10-12T18:46:46,598 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/) 2022-10-12T18:46:46,598 Skipping link: not a file: https://www.piwheels.org/simple/geometric/ 2022-10-12T18:46:46,599 Skipping link: not a file: https://pypi.org/simple/geometric/ 2022-10-12T18:46:46,641 Given no hashes to check 1 links for project 'geometric': discarding no candidates 2022-10-12T18:46:46,672 Collecting geometric==1.0 2022-10-12T18:46:46,676 Created temporary directory: /tmp/pip-unpack-aooygyjn 2022-10-12T18:46:47,804 Downloading geometric-1.0.tar.gz (347 kB) 2022-10-12T18:46:48,478 Added geometric==1.0 from https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz#sha256=905f4f1a23f72c80788974e57cf9fcc08730c1d4ce994f1114745c3ebcfd4cce to build tracker '/tmp/pip-build-tracker-34cqm7cd' 2022-10-12T18:46:48,481 Running setup.py (path:/tmp/pip-wheel-lik0cv3p/geometric_85391eaf3662431cbce16802af1fb822/setup.py) egg_info for package geometric 2022-10-12T18:46:48,482 Created temporary directory: /tmp/pip-pip-egg-info-l87rutue 2022-10-12T18:46:48,483 Preparing metadata (setup.py): started 2022-10-12T18:46:48,485 Running command python setup.py egg_info 2022-10-12T18:46:57,446 running egg_info 2022-10-12T18:46:57,451 creating /tmp/pip-pip-egg-info-l87rutue/geometric.egg-info 2022-10-12T18:46:58,123 writing /tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/PKG-INFO 2022-10-12T18:46:58,715 writing dependency_links to /tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/dependency_links.txt 2022-10-12T18:47:00,473 writing entry points to /tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/entry_points.txt 2022-10-12T18:47:01,642 writing requirements to /tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/requires.txt 2022-10-12T18:47:02,230 writing top-level names to /tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/top_level.txt 2022-10-12T18:47:02,233 writing manifest file '/tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/SOURCES.txt' 2022-10-12T18:47:02,430 reading manifest file '/tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/SOURCES.txt' 2022-10-12T18:47:02,433 reading manifest template 'MANIFEST.in' 2022-10-12T18:47:02,705 adding license file 'LICENSE' 2022-10-12T18:47:02,718 writing manifest file '/tmp/pip-pip-egg-info-l87rutue/geometric.egg-info/SOURCES.txt' 2022-10-12T18:47:02,938 Preparing metadata (setup.py): finished with status 'done' 2022-10-12T18:47:02,949 Source in /tmp/pip-wheel-lik0cv3p/geometric_85391eaf3662431cbce16802af1fb822 has version 1.0, which satisfies requirement geometric==1.0 from https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz#sha256=905f4f1a23f72c80788974e57cf9fcc08730c1d4ce994f1114745c3ebcfd4cce 2022-10-12T18:47:02,951 Removed geometric==1.0 from https://files.pythonhosted.org/packages/a9/47/f1a00a9a71389dacae7f7af8f127dc452d04b80e75a35781d0b80bb1af81/geometric-1.0.tar.gz#sha256=905f4f1a23f72c80788974e57cf9fcc08730c1d4ce994f1114745c3ebcfd4cce from build tracker '/tmp/pip-build-tracker-34cqm7cd' 2022-10-12T18:47:02,960 Created temporary directory: /tmp/pip-unpack-cdpm67q_ 2022-10-12T18:47:02,961 Building wheels for collected packages: geometric 2022-10-12T18:47:02,970 Created temporary directory: /tmp/pip-wheel-n_63h76b 2022-10-12T18:47:02,971 Building wheel for geometric (setup.py): started 2022-10-12T18:47:02,973 Destination directory: /tmp/pip-wheel-n_63h76b 2022-10-12T18:47:02,973 Running command python setup.py bdist_wheel 2022-10-12T18:47:11,568 running bdist_wheel 2022-10-12T18:47:13,015 running build 2022-10-12T18:47:13,016 running build_py 2022-10-12T18:47:13,030 creating build 2022-10-12T18:47:13,031 creating build/lib 2022-10-12T18:47:13,032 creating build/lib/geometric 2022-10-12T18:47:13,035 copying geometric/run_json.py -> build/lib/geometric 2022-10-12T18:47:13,040 copying geometric/ic_tools.py -> build/lib/geometric 2022-10-12T18:47:13,044 copying geometric/__init__.py -> build/lib/geometric 2022-10-12T18:47:13,048 copying geometric/nifty.py -> build/lib/geometric 2022-10-12T18:47:13,055 copying geometric/info.py -> build/lib/geometric 2022-10-12T18:47:13,059 copying geometric/internal.py -> build/lib/geometric 2022-10-12T18:47:13,071 copying geometric/_version.py -> build/lib/geometric 2022-10-12T18:47:13,074 copying geometric/normal_modes.py -> build/lib/geometric 2022-10-12T18:47:13,083 copying geometric/step.py -> build/lib/geometric 2022-10-12T18:47:13,089 copying geometric/params.py -> build/lib/geometric 2022-10-12T18:47:13,095 copying geometric/optimize.py -> build/lib/geometric 2022-10-12T18:47:13,103 copying geometric/PDB.py -> build/lib/geometric 2022-10-12T18:47:13,114 copying geometric/ase_engine.py -> build/lib/geometric 2022-10-12T18:47:13,118 copying geometric/molecule.py -> build/lib/geometric 2022-10-12T18:47:13,136 copying geometric/prepare.py -> build/lib/geometric 2022-10-12T18:47:13,141 copying geometric/engine.py -> build/lib/geometric 2022-10-12T18:47:13,150 copying geometric/rotate.py -> build/lib/geometric 2022-10-12T18:47:13,156 copying geometric/errors.py -> build/lib/geometric 2022-10-12T18:47:13,163 creating build/lib/geometric/tests 2022-10-12T18:47:13,165 copying geometric/tests/test_gaussian.py -> build/lib/geometric/tests 2022-10-12T18:47:13,170 copying geometric/tests/test_internal.py -> build/lib/geometric/tests 2022-10-12T18:47:13,173 copying geometric/tests/test_run_json.py -> build/lib/geometric/tests 2022-10-12T18:47:13,177 copying geometric/tests/test_transition.py -> build/lib/geometric/tests 2022-10-12T18:47:13,182 copying geometric/tests/conftest.py -> build/lib/geometric/tests 2022-10-12T18:47:13,186 copying geometric/tests/__init__.py -> build/lib/geometric/tests 2022-10-12T18:47:13,189 copying geometric/tests/test_minimize.py -> build/lib/geometric/tests 2022-10-12T18:47:13,192 copying geometric/tests/test_params.py -> build/lib/geometric/tests 2022-10-12T18:47:13,195 copying geometric/tests/test_ase_engine.py -> build/lib/geometric/tests 2022-10-12T18:47:13,199 copying geometric/tests/test_hessian.py -> build/lib/geometric/tests 2022-10-12T18:47:13,203 copying geometric/tests/test_qcengine.py -> build/lib/geometric/tests 2022-10-12T18:47:13,206 copying geometric/tests/test_prepare.py -> build/lib/geometric/tests 2022-10-12T18:47:13,211 copying geometric/tests/test_customengine.py -> build/lib/geometric/tests 2022-10-12T18:47:13,214 copying geometric/tests/test_openmm.py -> build/lib/geometric/tests 2022-10-12T18:47:13,219 copying geometric/tests/test_nifty.py -> build/lib/geometric/tests 2022-10-12T18:47:13,223 copying geometric/tests/test_diff.py -> build/lib/geometric/tests 2022-10-12T18:47:13,227 copying geometric/tests/test_terachem.py -> build/lib/geometric/tests 2022-10-12T18:47:13,231 copying geometric/tests/test_errors.py -> build/lib/geometric/tests 2022-10-12T18:47:13,235 copying geometric/tests/addons.py -> build/lib/geometric/tests 2022-10-12T18:47:13,239 copying geometric/tests/test_rotate.py -> build/lib/geometric/tests 2022-10-12T18:47:13,243 copying geometric/tests/test_batch_opt.py -> build/lib/geometric/tests 2022-10-12T18:47:13,247 copying geometric/tests/test_molecule.py -> build/lib/geometric/tests 2022-10-12T18:47:13,251 running egg_info 2022-10-12T18:47:14,681 writing geometric.egg-info/PKG-INFO 2022-10-12T18:47:15,284 writing dependency_links to geometric.egg-info/dependency_links.txt 2022-10-12T18:47:17,082 writing entry points to geometric.egg-info/entry_points.txt 2022-10-12T18:47:18,287 writing requirements to geometric.egg-info/requires.txt 2022-10-12T18:47:18,888 writing top-level names to geometric.egg-info/top_level.txt 2022-10-12T18:47:18,990 reading manifest file 'geometric.egg-info/SOURCES.txt' 2022-10-12T18:47:19,015 reading manifest template 'MANIFEST.in' 2022-10-12T18:47:19,288 adding license file 'LICENSE' 2022-10-12T18:47:19,306 writing manifest file 'geometric.egg-info/SOURCES.txt' 2022-10-12T18:47:19,310 /usr/local/lib/python3.7/dist-packages/setuptools/command/build_py.py:153: SetuptoolsDeprecationWarning: !! 2022-10-12T18:47:19,311 ############################ 2022-10-12T18:47:19,311 # Package would be ignored # 2022-10-12T18:47:19,312 ############################ 2022-10-12T18:47:19,312 Python recognizes 'geometric.config' as an importable package, however it is 2022-10-12T18:47:19,312 included in the distribution as "data". 2022-10-12T18:47:19,313 This behavior is likely to change in future versions of setuptools (and 2022-10-12T18:47:19,313 therefore is considered deprecated). 2022-10-12T18:47:19,314 Please make sure that 'geometric.config' is included as a package by using 2022-10-12T18:47:19,314 setuptools' `packages` configuration field or the proper discovery methods. 2022-10-12T18:47:19,315 You can read more about "package discovery" and "data files" on setuptools 2022-10-12T18:47:19,315 documentation page. 2022-10-12T18:47:19,316 !! 2022-10-12T18:47:19,316 check.warn(importable) 2022-10-12T18:47:19,317 /usr/local/lib/python3.7/dist-packages/setuptools/command/build_py.py:153: SetuptoolsDeprecationWarning: !! 2022-10-12T18:47:19,318 ############################ 2022-10-12T18:47:19,318 # Package would be ignored # 2022-10-12T18:47:19,318 ############################ 2022-10-12T18:47:19,319 Python recognizes 'geometric.data' as an importable package, however it is 2022-10-12T18:47:19,319 included in the distribution as "data". 2022-10-12T18:47:19,319 This behavior is likely to change in future versions of setuptools (and 2022-10-12T18:47:19,319 therefore is considered deprecated). 2022-10-12T18:47:19,320 Please make sure that 'geometric.data' is included as a package by using 2022-10-12T18:47:19,320 setuptools' `packages` configuration field or the proper discovery methods. 2022-10-12T18:47:19,321 You can read more about "package discovery" and "data files" on setuptools 2022-10-12T18:47:19,321 documentation page. 2022-10-12T18:47:19,322 !! 2022-10-12T18:47:19,323 check.warn(importable) 2022-10-12T18:47:19,323 /usr/local/lib/python3.7/dist-packages/setuptools/command/build_py.py:153: SetuptoolsDeprecationWarning: !! 2022-10-12T18:47:19,324 ############################ 2022-10-12T18:47:19,324 # Package would be ignored # 2022-10-12T18:47:19,325 ############################ 2022-10-12T18:47:19,325 Python recognizes 'geometric.data.TrashBox' as an importable package, however it is 2022-10-12T18:47:19,325 included in the distribution as "data". 2022-10-12T18:47:19,326 This behavior is likely to change in future versions of setuptools (and 2022-10-12T18:47:19,326 therefore is considered deprecated). 2022-10-12T18:47:19,326 Please make sure that 'geometric.data.TrashBox' is included as a package by using 2022-10-12T18:47:19,327 setuptools' `packages` configuration field or the proper discovery methods. 2022-10-12T18:47:19,327 You can read more about "package discovery" and "data files" on setuptools 2022-10-12T18:47:19,328 documentation page. 2022-10-12T18:47:19,328 !! 2022-10-12T18:47:19,329 check.warn(importable) 2022-10-12T18:47:19,329 /usr/local/lib/python3.7/dist-packages/setuptools/command/build_py.py:153: SetuptoolsDeprecationWarning: !! 2022-10-12T18:47:19,330 ############################ 2022-10-12T18:47:19,330 # Package would be ignored # 2022-10-12T18:47:19,331 ############################ 2022-10-12T18:47:19,331 Python recognizes 'geometric.data.TrashBox.hcn_hessian.hessian' as an importable package, however it is 2022-10-12T18:47:19,331 included in the distribution as "data". 2022-10-12T18:47:19,332 This behavior is likely to change in future versions of setuptools (and 2022-10-12T18:47:19,332 therefore is considered deprecated). 2022-10-12T18:47:19,333 Please make sure that 'geometric.data.TrashBox.hcn_hessian.hessian' is included as a package by using 2022-10-12T18:47:19,333 setuptools' `packages` configuration field or the proper discovery methods. 2022-10-12T18:47:19,334 You can read more about "package discovery" and "data files" on setuptools 2022-10-12T18:47:19,334 documentation page. 2022-10-12T18:47:19,335 !! 2022-10-12T18:47:19,335 check.warn(importable) 2022-10-12T18:47:19,336 creating build/lib/geometric/config 2022-10-12T18:47:19,336 copying geometric/config/log.ini -> build/lib/geometric/config 2022-10-12T18:47:19,338 copying geometric/config/logConsole.ini -> build/lib/geometric/config 2022-10-12T18:47:19,342 copying geometric/config/logJson.ini -> build/lib/geometric/config 2022-10-12T18:47:19,346 creating build/lib/geometric/data 2022-10-12T18:47:19,347 copying geometric/data/adamantane.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,351 copying geometric/data/ala.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,355 copying geometric/data/ala_a99sb_min.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,359 copying geometric/data/ala_constraints.txt -> build/lib/geometric/data 2022-10-12T18:47:19,363 copying geometric/data/alaglu.gro -> build/lib/geometric/data 2022-10-12T18:47:19,367 copying geometric/data/assort.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,370 copying geometric/data/bicyclo222octane.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,374 copying geometric/data/bucky-argmin-indices.txt -> build/lib/geometric/data 2022-10-12T18:47:19,378 copying geometric/data/bucky-energies.txt -> build/lib/geometric/data 2022-10-12T18:47:19,382 copying geometric/data/c60.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,386 copying geometric/data/captan.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,390 copying geometric/data/captan.xml -> build/lib/geometric/data 2022-10-12T18:47:19,396 copying geometric/data/cholesterol.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,400 copying geometric/data/coronene.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,404 copying geometric/data/cubane.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,408 copying geometric/data/ethanol.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,411 copying geometric/data/ethanol.xml -> build/lib/geometric/data 2022-10-12T18:47:19,416 copying geometric/data/fenestradiene.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,420 copying geometric/data/h2o2_h2o.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,424 copying geometric/data/h2o2_h2o_system.xml -> build/lib/geometric/data 2022-10-12T18:47:19,428 copying geometric/data/hcn_ts_optim.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,431 copying geometric/data/hcn_ts_optim_xtb.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,435 copying geometric/data/hcn_tsguess.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,439 copying geometric/data/hcn_tsguess_hessian.txt -> build/lib/geometric/data 2022-10-12T18:47:19,443 copying geometric/data/linalg_torsion_constraints.txt -> build/lib/geometric/data 2022-10-12T18:47:19,446 copying geometric/data/naphthax.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,450 copying geometric/data/neu5ac.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,454 copying geometric/data/parser_options.txt -> build/lib/geometric/data 2022-10-12T18:47:19,458 copying geometric/data/porphin.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,463 copying geometric/data/propynimine-ts-optimized.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,467 copying geometric/data/propynimine-tsguess-hessian.txt -> build/lib/geometric/data 2022-10-12T18:47:19,472 copying geometric/data/randn_1k.txt -> build/lib/geometric/data 2022-10-12T18:47:19,477 copying geometric/data/reaction_000_deci.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,485 copying geometric/data/spc216.gro -> build/lib/geometric/data 2022-10-12T18:47:19,490 copying geometric/data/tetrahedrane.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,494 copying geometric/data/triclinic.gro -> build/lib/geometric/data 2022-10-12T18:47:19,499 copying geometric/data/vancomycin.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,504 copying geometric/data/water12.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,508 copying geometric/data/water12.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,511 copying geometric/data/water3.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,515 copying geometric/data/water5.xyz -> build/lib/geometric/data 2022-10-12T18:47:19,519 copying geometric/data/water6.pdb -> build/lib/geometric/data 2022-10-12T18:47:19,522 creating build/lib/geometric/data/TrashBox 2022-10-12T18:47:19,524 copying geometric/data/TrashBox/alatet.xyz -> build/lib/geometric/data/TrashBox 2022-10-12T18:47:19,528 copying geometric/data/TrashBox/gal-glc-cons-test.txt -> build/lib/geometric/data/TrashBox 2022-10-12T18:47:19,532 copying geometric/data/TrashBox/gal-glc-cons-test.xyz -> build/lib/geometric/data/TrashBox 2022-10-12T18:47:19,536 copying geometric/data/TrashBox/reaction_003_deci.xyz -> build/lib/geometric/data/TrashBox 2022-10-12T18:47:19,541 copying geometric/data/TrashBox/test.xyz -> build/lib/geometric/data/TrashBox 2022-10-12T18:47:19,545 creating build/lib/geometric/data/TrashBox/hcn_hessian 2022-10-12T18:47:19,546 creating build/lib/geometric/data/TrashBox/hcn_hessian/hessian 2022-10-12T18:47:19,548 copying geometric/data/TrashBox/hcn_hessian/hessian/hessian.txt -> build/lib/geometric/data/TrashBox/hcn_hessian/hessian 2022-10-12T18:47:19,559 UPDATING build/lib/geometric/_version.py 2022-10-12T18:47:19,561 set build/lib/geometric/_version.py to '1.0' 2022-10-12T18:47:20,257 /usr/local/lib/python3.7/dist-packages/setuptools/command/install.py:37: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. 2022-10-12T18:47:20,257 setuptools.SetuptoolsDeprecationWarning, 2022-10-12T18:47:20,946 installing to build/bdist.linux-armv7l/wheel 2022-10-12T18:47:20,946 running install 2022-10-12T18:47:21,010 running install_lib 2022-10-12T18:47:21,704 creating build/bdist.linux-armv7l 2022-10-12T18:47:21,705 creating build/bdist.linux-armv7l/wheel 2022-10-12T18:47:21,708 creating build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,710 copying build/lib/geometric/run_json.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,715 copying build/lib/geometric/ic_tools.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,719 copying build/lib/geometric/__init__.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,722 copying build/lib/geometric/nifty.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,730 creating build/bdist.linux-armv7l/wheel/geometric/config 2022-10-12T18:47:21,732 copying build/lib/geometric/config/log.ini -> build/bdist.linux-armv7l/wheel/geometric/config 2022-10-12T18:47:21,735 copying build/lib/geometric/config/logConsole.ini -> build/bdist.linux-armv7l/wheel/geometric/config 2022-10-12T18:47:21,739 copying build/lib/geometric/config/logJson.ini -> build/bdist.linux-armv7l/wheel/geometric/config 2022-10-12T18:47:21,742 copying build/lib/geometric/info.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,746 copying build/lib/geometric/internal.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,757 copying build/lib/geometric/_version.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,760 copying build/lib/geometric/normal_modes.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,765 copying build/lib/geometric/step.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,771 copying build/lib/geometric/params.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,776 copying build/lib/geometric/optimize.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,784 creating build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,786 copying build/lib/geometric/tests/test_gaussian.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,790 copying build/lib/geometric/tests/test_internal.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,793 copying build/lib/geometric/tests/test_run_json.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,797 copying build/lib/geometric/tests/test_transition.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,801 copying build/lib/geometric/tests/conftest.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,804 copying build/lib/geometric/tests/__init__.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,806 copying build/lib/geometric/tests/test_minimize.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,809 copying build/lib/geometric/tests/test_params.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,812 copying build/lib/geometric/tests/test_ase_engine.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,815 copying build/lib/geometric/tests/test_hessian.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,819 copying build/lib/geometric/tests/test_qcengine.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,822 copying build/lib/geometric/tests/test_prepare.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,826 copying build/lib/geometric/tests/test_customengine.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,829 copying build/lib/geometric/tests/test_openmm.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,833 copying build/lib/geometric/tests/test_nifty.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,837 copying build/lib/geometric/tests/test_diff.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,840 copying build/lib/geometric/tests/test_terachem.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,843 copying build/lib/geometric/tests/test_errors.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,847 copying build/lib/geometric/tests/addons.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,851 copying build/lib/geometric/tests/test_rotate.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,854 copying build/lib/geometric/tests/test_batch_opt.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,858 copying build/lib/geometric/tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/geometric/tests 2022-10-12T18:47:21,863 copying build/lib/geometric/PDB.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:21,876 creating build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,877 copying build/lib/geometric/data/water12.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,881 copying build/lib/geometric/data/ala.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,884 copying build/lib/geometric/data/h2o2_h2o.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,887 copying build/lib/geometric/data/water6.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,890 copying build/lib/geometric/data/spc216.gro -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,896 copying build/lib/geometric/data/water12.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,899 copying build/lib/geometric/data/naphthax.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,902 copying build/lib/geometric/data/porphin.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,905 copying build/lib/geometric/data/c60.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,908 copying build/lib/geometric/data/water3.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,911 copying build/lib/geometric/data/neu5ac.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,914 copying build/lib/geometric/data/adamantane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,917 copying build/lib/geometric/data/coronene.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,920 copying build/lib/geometric/data/assort.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,923 copying build/lib/geometric/data/ethanol.xml -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,927 copying build/lib/geometric/data/captan.xml -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,934 creating build/bdist.linux-armv7l/wheel/geometric/data/TrashBox 2022-10-12T18:47:21,935 copying build/lib/geometric/data/TrashBox/gal-glc-cons-test.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox 2022-10-12T18:47:21,939 copying build/lib/geometric/data/TrashBox/gal-glc-cons-test.txt -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox 2022-10-12T18:47:21,943 copying build/lib/geometric/data/TrashBox/alatet.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox 2022-10-12T18:47:21,947 creating build/bdist.linux-armv7l/wheel/geometric/data/TrashBox/hcn_hessian 2022-10-12T18:47:21,950 creating build/bdist.linux-armv7l/wheel/geometric/data/TrashBox/hcn_hessian/hessian 2022-10-12T18:47:21,953 copying build/lib/geometric/data/TrashBox/hcn_hessian/hessian/hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox/hcn_hessian/hessian 2022-10-12T18:47:21,957 copying build/lib/geometric/data/TrashBox/reaction_003_deci.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox 2022-10-12T18:47:21,963 copying build/lib/geometric/data/TrashBox/test.xyz -> build/bdist.linux-armv7l/wheel/geometric/data/TrashBox 2022-10-12T18:47:21,967 copying build/lib/geometric/data/hcn_ts_optim.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,971 copying build/lib/geometric/data/hcn_ts_optim_xtb.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,975 copying build/lib/geometric/data/linalg_torsion_constraints.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,979 copying build/lib/geometric/data/ethanol.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,982 copying build/lib/geometric/data/bucky-argmin-indices.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,986 copying build/lib/geometric/data/bucky-energies.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,990 copying build/lib/geometric/data/randn_1k.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,995 copying build/lib/geometric/data/h2o2_h2o_system.xml -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:21,999 copying build/lib/geometric/data/triclinic.gro -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,005 copying build/lib/geometric/data/ala_a99sb_min.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,008 copying build/lib/geometric/data/water5.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,012 copying build/lib/geometric/data/vancomycin.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,017 copying build/lib/geometric/data/propynimine-ts-optimized.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,021 copying build/lib/geometric/data/alaglu.gro -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,025 copying build/lib/geometric/data/propynimine-tsguess-hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,029 copying build/lib/geometric/data/tetrahedrane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,033 copying build/lib/geometric/data/reaction_000_deci.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,040 copying build/lib/geometric/data/parser_options.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,043 copying build/lib/geometric/data/hcn_tsguess.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,047 copying build/lib/geometric/data/cholesterol.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,050 copying build/lib/geometric/data/ala_constraints.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,053 copying build/lib/geometric/data/fenestradiene.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,056 copying build/lib/geometric/data/cubane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,059 copying build/lib/geometric/data/bicyclo222octane.xyz -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,062 copying build/lib/geometric/data/captan.pdb -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,066 copying build/lib/geometric/data/hcn_tsguess_hessian.txt -> build/bdist.linux-armv7l/wheel/geometric/data 2022-10-12T18:47:22,069 copying build/lib/geometric/ase_engine.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:22,072 copying build/lib/geometric/molecule.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:22,086 copying build/lib/geometric/prepare.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:22,092 copying build/lib/geometric/engine.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:22,100 copying build/lib/geometric/rotate.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:22,106 copying build/lib/geometric/errors.py -> build/bdist.linux-armv7l/wheel/geometric 2022-10-12T18:47:22,110 running install_egg_info 2022-10-12T18:47:22,806 Copying geometric.egg-info to build/bdist.linux-armv7l/wheel/geometric-1.0-py3.7.egg-info 2022-10-12T18:47:22,832 running install_scripts 2022-10-12T18:47:22,982 adding license file "LICENSE" (matched pattern "LICEN[CS]E*") 2022-10-12T18:47:22,991 creating build/bdist.linux-armv7l/wheel/geometric-1.0.dist-info/WHEEL 2022-10-12T18:47:22,996 creating '/tmp/pip-wheel-n_63h76b/geometric-1.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2022-10-12T18:47:23,023 adding 'geometric/PDB.py' 2022-10-12T18:47:23,029 adding 'geometric/__init__.py' 2022-10-12T18:47:23,032 adding 'geometric/_version.py' 2022-10-12T18:47:23,036 adding 'geometric/ase_engine.py' 2022-10-12T18:47:23,055 adding 'geometric/engine.py' 2022-10-12T18:47:23,060 adding 'geometric/errors.py' 2022-10-12T18:47:23,065 adding 'geometric/ic_tools.py' 2022-10-12T18:47:23,069 adding 'geometric/info.py' 2022-10-12T18:47:23,106 adding 'geometric/internal.py' 2022-10-12T18:47:23,174 adding 'geometric/molecule.py' 2022-10-12T18:47:23,200 adding 'geometric/nifty.py' 2022-10-12T18:47:23,212 adding 'geometric/normal_modes.py' 2022-10-12T18:47:23,231 adding 'geometric/optimize.py' 2022-10-12T18:47:23,240 adding 'geometric/params.py' 2022-10-12T18:47:23,249 adding 'geometric/prepare.py' 2022-10-12T18:47:23,259 adding 'geometric/rotate.py' 2022-10-12T18:47:23,264 adding 'geometric/run_json.py' 2022-10-12T18:47:23,275 adding 'geometric/step.py' 2022-10-12T18:47:23,279 adding 'geometric/config/log.ini' 2022-10-12T18:47:23,282 adding 'geometric/config/logConsole.ini' 2022-10-12T18:47:23,285 adding 'geometric/config/logJson.ini' 2022-10-12T18:47:23,290 adding 'geometric/data/adamantane.xyz' 2022-10-12T18:47:23,293 adding 'geometric/data/ala.pdb' 2022-10-12T18:47:23,296 adding 'geometric/data/ala_a99sb_min.pdb' 2022-10-12T18:47:23,298 adding 'geometric/data/ala_constraints.txt' 2022-10-12T18:47:23,301 adding 'geometric/data/alaglu.gro' 2022-10-12T18:47:23,303 adding 'geometric/data/assort.xyz' 2022-10-12T18:47:23,306 adding 'geometric/data/bicyclo222octane.xyz' 2022-10-12T18:47:23,308 adding 'geometric/data/bucky-argmin-indices.txt' 2022-10-12T18:47:23,310 adding 'geometric/data/bucky-energies.txt' 2022-10-12T18:47:23,313 adding 'geometric/data/c60.xyz' 2022-10-12T18:47:23,315 adding 'geometric/data/captan.pdb' 2022-10-12T18:47:23,320 adding 'geometric/data/captan.xml' 2022-10-12T18:47:23,324 adding 'geometric/data/cholesterol.xyz' 2022-10-12T18:47:23,326 adding 'geometric/data/coronene.xyz' 2022-10-12T18:47:23,328 adding 'geometric/data/cubane.xyz' 2022-10-12T18:47:23,331 adding 'geometric/data/ethanol.pdb' 2022-10-12T18:47:23,333 adding 'geometric/data/ethanol.xml' 2022-10-12T18:47:23,337 adding 'geometric/data/fenestradiene.xyz' 2022-10-12T18:47:23,340 adding 'geometric/data/h2o2_h2o.pdb' 2022-10-12T18:47:23,342 adding 'geometric/data/h2o2_h2o_system.xml' 2022-10-12T18:47:23,345 adding 'geometric/data/hcn_ts_optim.xyz' 2022-10-12T18:47:23,347 adding 'geometric/data/hcn_ts_optim_xtb.xyz' 2022-10-12T18:47:23,349 adding 'geometric/data/hcn_tsguess.xyz' 2022-10-12T18:47:23,351 adding 'geometric/data/hcn_tsguess_hessian.txt' 2022-10-12T18:47:23,354 adding 'geometric/data/linalg_torsion_constraints.txt' 2022-10-12T18:47:23,356 adding 'geometric/data/naphthax.xyz' 2022-10-12T18:47:23,359 adding 'geometric/data/neu5ac.pdb' 2022-10-12T18:47:23,361 adding 'geometric/data/parser_options.txt' 2022-10-12T18:47:23,363 adding 'geometric/data/porphin.xyz' 2022-10-12T18:47:23,366 adding 'geometric/data/propynimine-ts-optimized.xyz' 2022-10-12T18:47:23,371 adding 'geometric/data/propynimine-tsguess-hessian.txt' 2022-10-12T18:47:23,382 adding 'geometric/data/randn_1k.txt' 2022-10-12T18:47:23,410 adding 'geometric/data/reaction_000_deci.xyz' 2022-10-12T18:47:23,427 adding 'geometric/data/spc216.gro' 2022-10-12T18:47:23,429 adding 'geometric/data/tetrahedrane.xyz' 2022-10-12T18:47:23,437 adding 'geometric/data/triclinic.gro' 2022-10-12T18:47:23,443 adding 'geometric/data/vancomycin.pdb' 2022-10-12T18:47:23,446 adding 'geometric/data/water12.pdb' 2022-10-12T18:47:23,448 adding 'geometric/data/water12.xyz' 2022-10-12T18:47:23,451 adding 'geometric/data/water3.pdb' 2022-10-12T18:47:23,453 adding 'geometric/data/water5.xyz' 2022-10-12T18:47:23,456 adding 'geometric/data/water6.pdb' 2022-10-12T18:47:23,460 adding 'geometric/data/TrashBox/alatet.xyz' 2022-10-12T18:47:23,462 adding 'geometric/data/TrashBox/gal-glc-cons-test.txt' 2022-10-12T18:47:23,465 adding 'geometric/data/TrashBox/gal-glc-cons-test.xyz' 2022-10-12T18:47:23,479 adding 'geometric/data/TrashBox/reaction_003_deci.xyz' 2022-10-12T18:47:23,482 adding 'geometric/data/TrashBox/test.xyz' 2022-10-12T18:47:23,487 adding 'geometric/data/TrashBox/hcn_hessian/hessian/hessian.txt' 2022-10-12T18:47:23,491 adding 'geometric/tests/__init__.py' 2022-10-12T18:47:23,494 adding 'geometric/tests/addons.py' 2022-10-12T18:47:23,496 adding 'geometric/tests/conftest.py' 2022-10-12T18:47:23,499 adding 'geometric/tests/test_ase_engine.py' 2022-10-12T18:47:23,502 adding 'geometric/tests/test_batch_opt.py' 2022-10-12T18:47:23,505 adding 'geometric/tests/test_customengine.py' 2022-10-12T18:47:23,507 adding 'geometric/tests/test_diff.py' 2022-10-12T18:47:23,510 adding 'geometric/tests/test_errors.py' 2022-10-12T18:47:23,513 adding 'geometric/tests/test_gaussian.py' 2022-10-12T18:47:23,516 adding 'geometric/tests/test_hessian.py' 2022-10-12T18:47:23,518 adding 'geometric/tests/test_internal.py' 2022-10-12T18:47:23,521 adding 'geometric/tests/test_minimize.py' 2022-10-12T18:47:23,527 adding 'geometric/tests/test_molecule.py' 2022-10-12T18:47:23,532 adding 'geometric/tests/test_nifty.py' 2022-10-12T18:47:23,537 adding 'geometric/tests/test_openmm.py' 2022-10-12T18:47:23,539 adding 'geometric/tests/test_params.py' 2022-10-12T18:47:23,542 adding 'geometric/tests/test_prepare.py' 2022-10-12T18:47:23,545 adding 'geometric/tests/test_qcengine.py' 2022-10-12T18:47:23,547 adding 'geometric/tests/test_rotate.py' 2022-10-12T18:47:23,551 adding 'geometric/tests/test_run_json.py' 2022-10-12T18:47:23,555 adding 'geometric/tests/test_terachem.py' 2022-10-12T18:47:23,558 adding 'geometric/tests/test_transition.py' 2022-10-12T18:47:23,563 adding 'geometric-1.0.dist-info/LICENSE' 2022-10-12T18:47:23,565 adding 'geometric-1.0.dist-info/METADATA' 2022-10-12T18:47:23,567 adding 'geometric-1.0.dist-info/WHEEL' 2022-10-12T18:47:23,569 adding 'geometric-1.0.dist-info/entry_points.txt' 2022-10-12T18:47:23,570 adding 'geometric-1.0.dist-info/top_level.txt' 2022-10-12T18:47:23,572 adding 'geometric-1.0.dist-info/zip-safe' 2022-10-12T18:47:23,576 adding 'geometric-1.0.dist-info/RECORD' 2022-10-12T18:47:23,595 removing build/bdist.linux-armv7l/wheel 2022-10-12T18:47:23,904 Building wheel for geometric (setup.py): finished with status 'done' 2022-10-12T18:47:23,922 Created wheel for geometric: filename=geometric-1.0-py3-none-any.whl size=358353 sha256=16a0cf7affff8367c34fcb92e155b89e24f4cb5bfb6e98af64d045cb63d74da7 2022-10-12T18:47:23,924 Stored in directory: /tmp/pip-ephem-wheel-cache-ziij147s/wheels/9b/e0/93/feaf02cf05bff1ac7a1b0f6145b2652393b7b42f7265d9deb3 2022-10-12T18:47:23,954 Successfully built geometric 2022-10-12T18:47:23,988 Removed build tracker: '/tmp/pip-build-tracker-34cqm7cd'