2023-05-14T05:16:50,021 Created temporary directory: /tmp/pip-build-tracker-8d16fz4l 2023-05-14T05:16:50,024 Initialized build tracking at /tmp/pip-build-tracker-8d16fz4l 2023-05-14T05:16:50,024 Created build tracker: /tmp/pip-build-tracker-8d16fz4l 2023-05-14T05:16:50,025 Entered build tracker: /tmp/pip-build-tracker-8d16fz4l 2023-05-14T05:16:50,026 Created temporary directory: /tmp/pip-wheel-0oz91x6d 2023-05-14T05:16:50,034 Created temporary directory: /tmp/pip-ephem-wheel-cache-_a2luv3_ 2023-05-14T05:16:50,085 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-05-14T05:16:50,093 2 location(s) to search for versions of peleffy: 2023-05-14T05:16:50,093 * https://pypi.org/simple/peleffy/ 2023-05-14T05:16:50,093 * https://www.piwheels.org/simple/peleffy/ 2023-05-14T05:16:50,095 Fetching project page and analyzing links: https://pypi.org/simple/peleffy/ 2023-05-14T05:16:50,096 Getting page https://pypi.org/simple/peleffy/ 2023-05-14T05:16:50,099 Found index url https://pypi.org/simple/ 2023-05-14T05:16:50,285 Fetched page https://pypi.org/simple/peleffy/ as application/vnd.pypi.simple.v1+json 2023-05-14T05:16:50,300 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/57/27/fe4ea3635dbae7397b548ec911d3541e62676b389ce0e71d985aaf10e04a/peleffy-1.0.0-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,301 Found link https://files.pythonhosted.org/packages/21/3e/8ab417b81c0fa43dc49e60e2512d2dd844f46dabce6689baa7963b8fbc15/peleffy-1.0.0.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.0.0 2023-05-14T05:16:50,301 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/62/da/beeca76271cb160a638488343a1c35382476f1e0ed1cb04e6ab2dcfa9140/peleffy-1.1.0-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,302 Found link https://files.pythonhosted.org/packages/b4/41/111d2ac6171d8948df8288d96295c8f2e5d15295270d7b01c5e36a4b0d91/peleffy-1.1.0.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.1.0 2023-05-14T05:16:50,303 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/aa/67/51cbe4caa50d8cc3543c10801a9890e7968b4762d0277c438e7d6773a9a5/peleffy-1.2.0-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,303 Found link https://files.pythonhosted.org/packages/77/71/cd1471fb09edfcf870fe4905b27e3fa27449c31225c45271074fa45da585/peleffy-1.2.0.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.2.0 2023-05-14T05:16:50,304 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/26/bf/2728b0b86b879cf87de97326f6675a6c5b5d71ae571f5612e3e1f75694ff/peleffy-1.2.1-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,304 Found link https://files.pythonhosted.org/packages/97/a8/e35adddd101d6895288960cfabfb39fa1b29099a2829332908e51c832c16/peleffy-1.2.1.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.2.1 2023-05-14T05:16:50,305 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/2c/05/491552e7ffa6f8d88536cd1e3ceabe1fc1b181178216a1da5b9dc77df4ee/peleffy-1.3.0-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,306 Found link https://files.pythonhosted.org/packages/64/2b/8008f4e0c299218f926f89d6d4f67680103e72231ed1471be1734d716785/peleffy-1.3.0.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.3.0 2023-05-14T05:16:50,306 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/b5/71/f1db0dd925963a93165f0c8f0b3472cb2a431ec16458ab68051815695b63/peleffy-1.3.1-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,307 Found link https://files.pythonhosted.org/packages/5e/78/58c8cae1e1909489e68560275e9df277523bc3900542f6be83a38f3f7bbd/peleffy-1.3.1.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.3.1 2023-05-14T05:16:50,307 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/87/89/6952471b60b6086b10023459205daaf6050092d51e5631208549cc45a50b/peleffy-1.3.2-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,308 Found link https://files.pythonhosted.org/packages/9b/55/7caefb115eae92faf59156fe64ae426ee1dc63d0cf34e28329f348343ce0/peleffy-1.3.2.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.3.2 2023-05-14T05:16:50,309 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/8b/03/46f6d954892d46c641355d89b8786dc13ed9bc7f56480538fc86f13b3338/peleffy-1.3.3-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,309 Found link https://files.pythonhosted.org/packages/8a/f7/004635dfc277e05a90427a564820dc515a75826175fd148d377f3316d67c/peleffy-1.3.3.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.3.3 2023-05-14T05:16:50,310 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/44/9a/142e600e2e0c5b64c6440c959978510aa101917b7199ab32081105163738/peleffy-1.3.4-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,311 Found link https://files.pythonhosted.org/packages/52/d5/f5588550aa1091c2b1530ce177c29924a6e958a6f70427d51f8f9f992123/peleffy-1.3.4.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.3.4 2023-05-14T05:16:50,311 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/f1/32/cf49d3b3e43de05458f3471def0e26e22128e0bd7a6f4c9caa6fd5cdbbf0/peleffy-1.4.0-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,312 Found link https://files.pythonhosted.org/packages/23/e1/73f8fbc4c275abab8f19452d6eaad40918b4f970c8c0a7468772f137d267/peleffy-1.4.0.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.4.0 2023-05-14T05:16:50,312 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/ba/df/ce97e6e37c943d77a389fe6c2b4d418ec414a8e20c27e59ee04fd79e6b8b/peleffy-1.4.1-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,313 Found link https://files.pythonhosted.org/packages/0d/cc/17c8fe292a8685a6ba9a288631a18a81caf383642c13aa4d141cd87898ec/peleffy-1.4.1.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.4.1 2023-05-14T05:16:50,314 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/e6/b8/631b797cd6e48624c9748501db41860821a41ec8b30c2fd877ff91c9ee57/peleffy-1.4.2-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,314 Found link https://files.pythonhosted.org/packages/47/ea/2d71513014f53f53008bdbf5741cadacc16603671ffc8d903dac9f1bc5ed/peleffy-1.4.2.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.4.2 2023-05-14T05:16:50,315 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/34/22/f53b817aba7747da7f5fab5050ccb08461148aa3cd773fb48d29faaa7663/peleffy-1.4.3-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,315 Found link https://files.pythonhosted.org/packages/b9/02/985dc8ea7d4e54c80534507082532311fc42c29ec4e7285792787ba0ed6a/peleffy-1.4.3.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.4.3 2023-05-14T05:16:50,316 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/54/3f/9812a64e2b24c930dc38219b94fc18bec2582f386e679bb2eeafaf95175d/peleffy-1.4.4-py3-none-any.whl (from https://pypi.org/simple/peleffy/) 2023-05-14T05:16:50,316 Found link https://files.pythonhosted.org/packages/75/e1/9cb9af921371b258081ab9fd1c434d9133434de74b2a769716e146c1f29d/peleffy-1.4.4.tar.gz (from https://pypi.org/simple/peleffy/), version: 1.4.4 2023-05-14T05:16:50,317 Fetching project page and analyzing links: https://www.piwheels.org/simple/peleffy/ 2023-05-14T05:16:50,318 Getting page https://www.piwheels.org/simple/peleffy/ 2023-05-14T05:16:50,320 Found index url https://www.piwheels.org/simple/ 2023-05-14T05:16:50,578 Fetched page https://www.piwheels.org/simple/peleffy/ as text/html 2023-05-14T05:16:50,589 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.4.4-py3-none-any.whl#sha256=89d5778cffb756e6851581145db578309c87145583adc66cda69ca179e9bd61f (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,591 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.4.3-py3-none-any.whl#sha256=37481d8dd85aca9e6b0c1fc507149ec5d0a635a89de610e75e4f529c40ed1bf0 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,591 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.4.2-py3-none-any.whl#sha256=b7868ab85eb162aec862dc69ef6acdfc55a2036720c54f9c3d879c6d6d282c5d (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,592 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.4.1-py3-none-any.whl#sha256=37ffa36a2c02877a499c641ed2617a539b634a6c740a65d30b1c66e3c57d6543 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,592 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.4.0-py3-none-any.whl#sha256=bd3f73ab6827bf9ffca67a4f1e37b4b7f6938dbcaff53f571bad4865d0dff579 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,593 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.3.4-py3-none-any.whl#sha256=fc84e6c0426bdb9531d957c0875044c2cbfa9c2dfe9e7305ebf4dc7f9de98726 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,593 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.3.3-py3-none-any.whl#sha256=635aa7b84bdbc7d6fb517586bea1dd2017a4de0f265a2c6852a782b1e580fb5a (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,594 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.3.2-py3-none-any.whl#sha256=b024570ac45d792ccc610b8fba1bc3c68fb73d8890b24361df11072abaf00ed5 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,594 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.3.1-py3-none-any.whl#sha256=bad886f07bcb8f522e920bfd87d4716628d48951f8580f9a8672e5a5377f5796 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,595 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.3.0-py3-none-any.whl#sha256=7d7a810376b98b03bf32028fc48adfb2d86f05ae26e88d614c9655718e218ab5 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,595 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.2.1-py3-none-any.whl#sha256=04d6f2dc8e0ca11fd5e70b0e38be6712740504f6fa22f5079aa3c1a2508db4c0 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,596 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.2.0-py3-none-any.whl#sha256=e878b857b29bde2ff999215982041bd08680346fffc267b78cc62af8f2a8cde4 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,596 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.1.0-py3-none-any.whl#sha256=a3df3f04ad8aa2a3186a66e5b6e43de5d1defdfed840dcb07721802a24af6990 (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,597 Skipping link: No binaries permitted for peleffy: https://www.piwheels.org/simple/peleffy/peleffy-1.0.0-py3-none-any.whl#sha256=2ab64b6bbe61be4685b18c5d3f56c8e3f421b7bac1ac200647052a84d6c16aad (from https://www.piwheels.org/simple/peleffy/) 2023-05-14T05:16:50,597 Skipping link: not a file: https://www.piwheels.org/simple/peleffy/ 2023-05-14T05:16:50,598 Skipping link: not a file: https://pypi.org/simple/peleffy/ 2023-05-14T05:16:50,632 Given no hashes to check 1 links for project 'peleffy': discarding no candidates 2023-05-14T05:16:50,660 Collecting peleffy==1.4.4 2023-05-14T05:16:50,665 Created temporary directory: /tmp/pip-unpack-an7prvku 2023-05-14T05:16:50,761 Downloading peleffy-1.4.4.tar.gz (586 kB) 2023-05-14T05:16:51,863 Added peleffy==1.4.4 from https://files.pythonhosted.org/packages/75/e1/9cb9af921371b258081ab9fd1c434d9133434de74b2a769716e146c1f29d/peleffy-1.4.4.tar.gz to build tracker '/tmp/pip-build-tracker-8d16fz4l' 2023-05-14T05:16:51,866 Running setup.py (path:/tmp/pip-wheel-0oz91x6d/peleffy_f983924bd8444430945cfe49869353ed/setup.py) egg_info for package peleffy 2023-05-14T05:16:51,867 Created temporary directory: /tmp/pip-pip-egg-info-pkq8pcu7 2023-05-14T05:16:51,868 Preparing metadata (setup.py): started 2023-05-14T05:16:51,870 Running command python setup.py egg_info 2023-05-14T05:16:53,463 running egg_info 2023-05-14T05:16:53,472 creating /tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info 2023-05-14T05:16:53,527 writing /tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info/PKG-INFO 2023-05-14T05:16:53,532 writing dependency_links to /tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info/dependency_links.txt 2023-05-14T05:16:53,537 writing top-level names to /tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info/top_level.txt 2023-05-14T05:16:53,540 writing manifest file '/tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info/SOURCES.txt' 2023-05-14T05:16:53,715 reading manifest file '/tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info/SOURCES.txt' 2023-05-14T05:16:53,718 reading manifest template 'MANIFEST.in' 2023-05-14T05:16:53,720 adding license file 'LICENSE' 2023-05-14T05:16:53,738 writing manifest file '/tmp/pip-pip-egg-info-pkq8pcu7/peleffy.egg-info/SOURCES.txt' 2023-05-14T05:16:53,859 Preparing metadata (setup.py): finished with status 'done' 2023-05-14T05:16:53,870 Source in /tmp/pip-wheel-0oz91x6d/peleffy_f983924bd8444430945cfe49869353ed has version 1.4.4, which satisfies requirement peleffy==1.4.4 from https://files.pythonhosted.org/packages/75/e1/9cb9af921371b258081ab9fd1c434d9133434de74b2a769716e146c1f29d/peleffy-1.4.4.tar.gz 2023-05-14T05:16:53,872 Removed peleffy==1.4.4 from https://files.pythonhosted.org/packages/75/e1/9cb9af921371b258081ab9fd1c434d9133434de74b2a769716e146c1f29d/peleffy-1.4.4.tar.gz from build tracker '/tmp/pip-build-tracker-8d16fz4l' 2023-05-14T05:16:53,881 Created temporary directory: /tmp/pip-unpack-ervn0v4m 2023-05-14T05:16:53,882 Building wheels for collected packages: peleffy 2023-05-14T05:16:53,890 Created temporary directory: /tmp/pip-wheel-gfpfzlxh 2023-05-14T05:16:53,891 Building wheel for peleffy (setup.py): started 2023-05-14T05:16:53,893 Destination directory: /tmp/pip-wheel-gfpfzlxh 2023-05-14T05:16:53,893 Running command python setup.py bdist_wheel 2023-05-14T05:16:56,000 running bdist_wheel 2023-05-14T05:16:56,167 running build 2023-05-14T05:16:56,168 running build_py 2023-05-14T05:16:56,180 creating build 2023-05-14T05:16:56,180 creating build/lib 2023-05-14T05:16:56,182 creating build/lib/peleffy 2023-05-14T05:16:56,184 copying peleffy/__init__.py -> build/lib/peleffy 2023-05-14T05:16:56,187 copying peleffy/_version.py -> build/lib/peleffy 2023-05-14T05:16:56,190 copying peleffy/main.py -> build/lib/peleffy 2023-05-14T05:16:56,197 creating build/lib/peleffy/tests 2023-05-14T05:16:56,199 copying peleffy/tests/test_main.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,204 copying peleffy/tests/test_rotamers.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,209 copying peleffy/tests/utils.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,214 copying peleffy/tests/__init__.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,216 copying peleffy/tests/test_templates.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,221 copying peleffy/tests/test_forcefields.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,226 copying peleffy/tests/test_molecule.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,230 copying peleffy/tests/test_topology.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,235 copying peleffy/tests/test_conformers.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,238 copying peleffy/tests/test_mapper.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,242 copying peleffy/tests/test_integrity.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,245 copying peleffy/tests/test_solvent.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,249 copying peleffy/tests/test_alchemistry.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,262 copying peleffy/tests/test_toolkits.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,267 copying peleffy/tests/test_parameters.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,274 copying peleffy/tests/test_utils.py -> build/lib/peleffy/tests 2023-05-14T05:16:56,283 creating build/lib/peleffy/template 2023-05-14T05:16:56,285 copying peleffy/template/__init__.py -> build/lib/peleffy/template 2023-05-14T05:16:56,288 copying peleffy/template/impact.py -> build/lib/peleffy/template 2023-05-14T05:16:56,296 creating build/lib/peleffy/solvent 2023-05-14T05:16:56,297 copying peleffy/solvent/__init__.py -> build/lib/peleffy/solvent 2023-05-14T05:16:56,301 copying peleffy/solvent/solvent.py -> build/lib/peleffy/solvent 2023-05-14T05:16:56,307 creating build/lib/peleffy/topology 2023-05-14T05:16:56,309 copying peleffy/topology/__init__.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,313 copying peleffy/topology/molecule.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,319 copying peleffy/topology/rotamer.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,325 copying peleffy/topology/elements.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,330 copying peleffy/topology/mapper.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,334 copying peleffy/topology/zmatrix.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,338 copying peleffy/topology/topology.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,342 copying peleffy/topology/conformer.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,347 copying peleffy/topology/alchemistry.py -> build/lib/peleffy/topology 2023-05-14T05:16:56,355 creating build/lib/peleffy/forcefield 2023-05-14T05:16:56,357 copying peleffy/forcefield/__init__.py -> build/lib/peleffy/forcefield 2023-05-14T05:16:56,360 copying peleffy/forcefield/parameters.py -> build/lib/peleffy/forcefield 2023-05-14T05:16:56,368 copying peleffy/forcefield/forcefield.py -> build/lib/peleffy/forcefield 2023-05-14T05:16:56,372 copying peleffy/forcefield/selectors.py -> build/lib/peleffy/forcefield 2023-05-14T05:16:56,376 copying peleffy/forcefield/calculators.py -> build/lib/peleffy/forcefield 2023-05-14T05:16:56,382 creating build/lib/peleffy/utils 2023-05-14T05:16:56,383 copying peleffy/utils/utils.py -> build/lib/peleffy/utils 2023-05-14T05:16:56,388 copying peleffy/utils/__init__.py -> build/lib/peleffy/utils 2023-05-14T05:16:56,391 copying peleffy/utils/output.py -> build/lib/peleffy/utils 2023-05-14T05:16:56,395 copying peleffy/utils/input.py -> build/lib/peleffy/utils 2023-05-14T05:16:56,400 copying peleffy/utils/toolkits.py -> build/lib/peleffy/utils 2023-05-14T05:16:56,466 creating build/lib/peleffy/data 2023-05-14T05:16:56,467 creating build/lib/peleffy/data/ligands 2023-05-14T05:16:56,470 copying peleffy/data/ligands/propionic_acid.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,474 copying peleffy/data/ligands/SAM.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,478 copying peleffy/data/ligands/LIG1.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,483 copying peleffy/data/ligands/benzene_without_connectivity.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,487 copying peleffy/data/ligands/oleic_acid.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,492 copying peleffy/data/ligands/BHP.mae -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,497 copying peleffy/data/ligands/trimethylglycine_moved.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,502 copying peleffy/data/ligands/BHP.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,506 copying peleffy/data/ligands/benzene.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,510 copying peleffy/data/ligands/modified_sidechain.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,514 copying peleffy/data/ligands/malonate.mae -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,518 copying peleffy/data/ligands/toluene.mae -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,522 copying peleffy/data/ligands/ethylene.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,526 copying peleffy/data/ligands/ligand.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,531 copying peleffy/data/ligands/methane.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,535 copying peleffy/data/ligands/malonate.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,539 copying peleffy/data/ligands/octafluorocyclobutane.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,542 copying peleffy/data/ligands/ethylene.mae -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,546 copying peleffy/data/ligands/LIG2.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,551 copying peleffy/data/ligands/trimethylglycine.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,555 copying peleffy/data/ligands/toluene.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,559 copying peleffy/data/ligands/benzene.mae -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,563 copying peleffy/data/ligands/ammonium.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,567 copying peleffy/data/ligands/BNZ.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,571 copying peleffy/data/ligands/benzamidine.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,575 copying peleffy/data/ligands/acetylene.pdb -> build/lib/peleffy/data/ligands 2023-05-14T05:16:56,579 creating build/lib/peleffy/data/forcefields 2023-05-14T05:16:56,580 copying peleffy/data/forcefields/GBSA_OBC2-1.0.offxml -> build/lib/peleffy/data/forcefields 2023-05-14T05:16:56,584 copying peleffy/data/forcefields/GBSA_OBC1-1.0.offxml -> build/lib/peleffy/data/forcefields 2023-05-14T05:16:56,588 creating build/lib/peleffy/data/tests 2023-05-14T05:16:56,590 copying peleffy/data/tests/ligandParams_MAL.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,594 copying peleffy/data/tests/MET_parameters_to_json.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,599 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters3.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,603 copying peleffy/data/tests/metz_amber -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,607 copying peleffy/data/tests/etlz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,611 copying peleffy/data/tests/malz_OBCParams.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,615 copying peleffy/data/tests/MAL_solventParamsHCTOBC.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,623 copying peleffy/data/tests/ligSUV_no_elements2.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,627 copying peleffy/data/tests/alchemical_mol1.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,631 copying peleffy/data/tests/OPLS_etlz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,635 copying peleffy/data/tests/MET_solventParamsHCTOBC.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,643 copying peleffy/data/tests/ethylene_error4.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,647 copying peleffy/data/tests/MET_ffld_output.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,652 copying peleffy/data/tests/OPLS_metz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,656 copying peleffy/data/tests/ETL_solventParamsHCTOBC.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,663 copying peleffy/data/tests/etlz_OBCParams.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,667 copying peleffy/data/tests/ethylene_error2.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,671 copying peleffy/data/tests/ligSUV_fixed.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,675 copying peleffy/data/tests/OPLS_malz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,682 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters1.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,686 copying peleffy/data/tests/alchemical_0.rot.assign -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,691 copying peleffy/data/tests/alchemical_ligandParams_1.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,696 copying peleffy/data/tests/ethane_noH.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,700 copying peleffy/data/tests/metz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,703 copying peleffy/data/tests/OLC_ffld_output.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,710 copying peleffy/data/tests/ligSUV_no_elements3.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,714 copying peleffy/data/tests/CO1_ffld_output.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,718 copying peleffy/data/tests/alchemical_ligandParams_0.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,723 copying peleffy/data/tests/MET_openff-1.2.1_parameters.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,727 copying peleffy/data/tests/MET_opls2005_parameters.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,731 copying peleffy/data/tests/alchemical_1.rot.assign -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,735 copying peleffy/data/tests/MAT.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,739 copying peleffy/data/tests/malz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,743 copying peleffy/data/tests/ethylene_error1.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,747 copying peleffy/data/tests/MAT.mae -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,752 copying peleffy/data/tests/etlz_amber -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,757 copying peleffy/data/tests/alchemical_structure.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,761 copying peleffy/data/tests/ethylene_error3.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,765 copying peleffy/data/tests/alchemical_ligandParams_2.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,769 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters5.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,773 copying peleffy/data/tests/ligandParams.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,778 copying peleffy/data/tests/OXO_ffld_output.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,782 copying peleffy/data/tests/ETL_opls2005_parameters.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,786 copying peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters1.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,790 copying peleffy/data/tests/alchemical_2.rot.assign -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,794 copying peleffy/data/tests/OPLS_etlz_amber -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,798 copying peleffy/data/tests/malz_amber -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,802 copying peleffy/data/tests/unlz -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,806 copying peleffy/data/tests/ligSUV_no_elements1.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,810 copying peleffy/data/tests/ETL_openff-1.2.1_parameters.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,815 copying peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters2.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,819 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters4.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,823 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters2.json -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,827 copying peleffy/data/tests/OPLS_malz_amber -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,831 copying peleffy/data/tests/alchemical_mol2.pdb -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,835 copying peleffy/data/tests/metz_OBCParams.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,839 copying peleffy/data/tests/OPLS_metz_amber -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,843 copying peleffy/data/tests/MET_parameters_to_string.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,847 copying peleffy/data/tests/ETL_ffld_output.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,851 copying peleffy/data/tests/MAL_ffld_output.txt -> build/lib/peleffy/data/tests 2023-05-14T05:16:56,856 creating build/lib/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:56,858 copying peleffy/data/tests/MRO_oleic/OLC.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:56,863 copying peleffy/data/tests/MRO_oleic/OXO.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:56,867 copying peleffy/data/tests/MRO_oleic/HEM.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:56,872 copying peleffy/data/tests/MRO_oleic/MG.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:56,875 creating build/lib/peleffy/data/complexes 2023-05-14T05:16:56,877 copying peleffy/data/complexes/LIG1_LIG2.pdb -> build/lib/peleffy/data/complexes 2023-05-14T05:16:56,892 copying peleffy/data/complexes/complex_test.pdb -> build/lib/peleffy/data/complexes 2023-05-14T05:16:56,927 copying peleffy/data/complexes/LYS_BNZ.pdb -> build/lib/peleffy/data/complexes 2023-05-14T05:16:56,943 copying peleffy/data/complexes/5XXD_SAM.pdb -> build/lib/peleffy/data/complexes 2023-05-14T05:16:56,973 creating build/lib/peleffy/data/parameters 2023-05-14T05:16:56,974 copying peleffy/data/parameters/ETH.dihedral -> build/lib/peleffy/data/parameters 2023-05-14T05:16:56,978 copying peleffy/data/parameters/solventParamsHCTOBC.txt -> build/lib/peleffy/data/parameters 2023-05-14T05:16:56,986 copying peleffy/data/parameters/ETH.conformation -> build/lib/peleffy/data/parameters 2023-05-14T05:16:56,990 copying peleffy/data/parameters/OBCparam.json -> build/lib/peleffy/data/parameters 2023-05-14T05:16:56,994 copying peleffy/data/parameters/similarity.param -> build/lib/peleffy/data/parameters 2023-05-14T05:16:56,999 copying peleffy/data/parameters/f14_sgbnp.param -> build/lib/peleffy/data/parameters 2023-05-14T05:16:57,014 UPDATING build/lib/peleffy/_version.py 2023-05-14T05:16:57,017 set build/lib/peleffy/_version.py to '1.4.4' 2023-05-14T05:16:57,083 /usr/local/lib/python3.7/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2023-05-14T05:16:57,083 !! 2023-05-14T05:16:57,084 ******************************************************************************** 2023-05-14T05:16:57,084 Please avoid running ``setup.py`` directly. 2023-05-14T05:16:57,085 Instead, use pypa/build, pypa/installer, pypa/build or 2023-05-14T05:16:57,085 other standards-based tools. 2023-05-14T05:16:57,086 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2023-05-14T05:16:57,086 ******************************************************************************** 2023-05-14T05:16:57,087 !! 2023-05-14T05:16:57,087 self.initialize_options() 2023-05-14T05:16:57,141 installing to build/bdist.linux-armv7l/wheel 2023-05-14T05:16:57,142 running install 2023-05-14T05:16:57,202 running install_lib 2023-05-14T05:16:57,262 creating build/bdist.linux-armv7l 2023-05-14T05:16:57,263 creating build/bdist.linux-armv7l/wheel 2023-05-14T05:16:57,266 creating build/bdist.linux-armv7l/wheel/peleffy 2023-05-14T05:16:57,268 copying build/lib/peleffy/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy 2023-05-14T05:16:57,273 creating build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,275 copying build/lib/peleffy/tests/test_main.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,280 copying build/lib/peleffy/tests/test_rotamers.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,285 copying build/lib/peleffy/tests/utils.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,290 copying build/lib/peleffy/tests/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,293 copying build/lib/peleffy/tests/test_templates.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,298 copying build/lib/peleffy/tests/test_forcefields.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,302 copying build/lib/peleffy/tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,307 copying build/lib/peleffy/tests/test_topology.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,312 copying build/lib/peleffy/tests/test_conformers.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,315 copying build/lib/peleffy/tests/test_mapper.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,319 copying build/lib/peleffy/tests/test_integrity.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,322 copying build/lib/peleffy/tests/test_solvent.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,327 copying build/lib/peleffy/tests/test_alchemistry.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,340 copying build/lib/peleffy/tests/test_toolkits.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,345 copying build/lib/peleffy/tests/test_parameters.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,355 copying build/lib/peleffy/tests/test_utils.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2023-05-14T05:16:57,362 creating build/bdist.linux-armv7l/wheel/peleffy/solvent 2023-05-14T05:16:57,364 copying build/lib/peleffy/solvent/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/solvent 2023-05-14T05:16:57,367 copying build/lib/peleffy/solvent/solvent.py -> build/bdist.linux-armv7l/wheel/peleffy/solvent 2023-05-14T05:16:57,373 creating build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,375 copying build/lib/peleffy/topology/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,379 copying build/lib/peleffy/topology/molecule.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,385 copying build/lib/peleffy/topology/rotamer.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,391 copying build/lib/peleffy/topology/elements.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,397 copying build/lib/peleffy/topology/mapper.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,401 copying build/lib/peleffy/topology/zmatrix.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,410 copying build/lib/peleffy/topology/topology.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,414 copying build/lib/peleffy/topology/conformer.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,419 copying build/lib/peleffy/topology/alchemistry.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2023-05-14T05:16:57,426 creating build/bdist.linux-armv7l/wheel/peleffy/template 2023-05-14T05:16:57,428 copying build/lib/peleffy/template/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/template 2023-05-14T05:16:57,432 copying build/lib/peleffy/template/impact.py -> build/bdist.linux-armv7l/wheel/peleffy/template 2023-05-14T05:16:57,440 creating build/bdist.linux-armv7l/wheel/peleffy/forcefield 2023-05-14T05:16:57,442 copying build/lib/peleffy/forcefield/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2023-05-14T05:16:57,445 copying build/lib/peleffy/forcefield/parameters.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2023-05-14T05:16:57,452 copying build/lib/peleffy/forcefield/forcefield.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2023-05-14T05:16:57,457 copying build/lib/peleffy/forcefield/selectors.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2023-05-14T05:16:57,461 copying build/lib/peleffy/forcefield/calculators.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2023-05-14T05:16:57,466 creating build/bdist.linux-armv7l/wheel/peleffy/utils 2023-05-14T05:16:57,467 copying build/lib/peleffy/utils/utils.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2023-05-14T05:16:57,472 copying build/lib/peleffy/utils/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2023-05-14T05:16:57,475 copying build/lib/peleffy/utils/output.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2023-05-14T05:16:57,479 copying build/lib/peleffy/utils/input.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2023-05-14T05:16:57,483 copying build/lib/peleffy/utils/toolkits.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2023-05-14T05:16:57,489 copying build/lib/peleffy/_version.py -> build/bdist.linux-armv7l/wheel/peleffy 2023-05-14T05:16:57,494 creating build/bdist.linux-armv7l/wheel/peleffy/data 2023-05-14T05:16:57,497 creating build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,499 copying build/lib/peleffy/data/ligands/propionic_acid.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,502 copying build/lib/peleffy/data/ligands/SAM.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,506 copying build/lib/peleffy/data/ligands/LIG1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,510 copying build/lib/peleffy/data/ligands/benzene_without_connectivity.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,514 copying build/lib/peleffy/data/ligands/oleic_acid.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,518 copying build/lib/peleffy/data/ligands/BHP.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,522 copying build/lib/peleffy/data/ligands/trimethylglycine_moved.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,526 copying build/lib/peleffy/data/ligands/BHP.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,529 copying build/lib/peleffy/data/ligands/benzene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,533 copying build/lib/peleffy/data/ligands/modified_sidechain.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,536 copying build/lib/peleffy/data/ligands/malonate.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,539 copying build/lib/peleffy/data/ligands/toluene.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,543 copying build/lib/peleffy/data/ligands/ethylene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,547 copying build/lib/peleffy/data/ligands/ligand.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,551 copying build/lib/peleffy/data/ligands/methane.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,554 copying build/lib/peleffy/data/ligands/malonate.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,558 copying build/lib/peleffy/data/ligands/octafluorocyclobutane.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,561 copying build/lib/peleffy/data/ligands/ethylene.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,564 copying build/lib/peleffy/data/ligands/LIG2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,568 copying build/lib/peleffy/data/ligands/trimethylglycine.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,572 copying build/lib/peleffy/data/ligands/toluene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,576 copying build/lib/peleffy/data/ligands/benzene.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,581 copying build/lib/peleffy/data/ligands/ammonium.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,585 copying build/lib/peleffy/data/ligands/BNZ.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,589 copying build/lib/peleffy/data/ligands/benzamidine.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,593 copying build/lib/peleffy/data/ligands/acetylene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2023-05-14T05:16:57,599 creating build/bdist.linux-armv7l/wheel/peleffy/data/forcefields 2023-05-14T05:16:57,601 copying build/lib/peleffy/data/forcefields/GBSA_OBC2-1.0.offxml -> build/bdist.linux-armv7l/wheel/peleffy/data/forcefields 2023-05-14T05:16:57,605 copying build/lib/peleffy/data/forcefields/GBSA_OBC1-1.0.offxml -> build/bdist.linux-armv7l/wheel/peleffy/data/forcefields 2023-05-14T05:16:57,612 creating build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,614 copying build/lib/peleffy/data/tests/ligandParams_MAL.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,618 copying build/lib/peleffy/data/tests/MET_parameters_to_json.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,623 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters3.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,627 copying build/lib/peleffy/data/tests/metz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,631 copying build/lib/peleffy/data/tests/etlz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,635 copying build/lib/peleffy/data/tests/malz_OBCParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,639 copying build/lib/peleffy/data/tests/MAL_solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,647 copying build/lib/peleffy/data/tests/ligSUV_no_elements2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,652 copying build/lib/peleffy/data/tests/alchemical_mol1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,656 copying build/lib/peleffy/data/tests/OPLS_etlz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,660 copying build/lib/peleffy/data/tests/MET_solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,668 copying build/lib/peleffy/data/tests/ethylene_error4.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,672 copying build/lib/peleffy/data/tests/MET_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,676 copying build/lib/peleffy/data/tests/OPLS_metz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,680 copying build/lib/peleffy/data/tests/ETL_solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,689 copying build/lib/peleffy/data/tests/etlz_OBCParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,693 copying build/lib/peleffy/data/tests/ethylene_error2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,697 copying build/lib/peleffy/data/tests/ligSUV_fixed.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,702 copying build/lib/peleffy/data/tests/OPLS_malz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,705 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters1.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,709 copying build/lib/peleffy/data/tests/alchemical_0.rot.assign -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,712 copying build/lib/peleffy/data/tests/alchemical_ligandParams_1.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,716 copying build/lib/peleffy/data/tests/ethane_noH.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,719 copying build/lib/peleffy/data/tests/metz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,723 copying build/lib/peleffy/data/tests/OLC_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,730 copying build/lib/peleffy/data/tests/ligSUV_no_elements3.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,734 creating build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:57,736 copying build/lib/peleffy/data/tests/MRO_oleic/OLC.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:57,740 copying build/lib/peleffy/data/tests/MRO_oleic/OXO.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:57,744 copying build/lib/peleffy/data/tests/MRO_oleic/HEM.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:57,748 copying build/lib/peleffy/data/tests/MRO_oleic/MG.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2023-05-14T05:16:57,752 copying build/lib/peleffy/data/tests/CO1_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,756 copying build/lib/peleffy/data/tests/alchemical_ligandParams_0.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,759 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,763 copying build/lib/peleffy/data/tests/MET_opls2005_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,766 copying build/lib/peleffy/data/tests/alchemical_1.rot.assign -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,770 copying build/lib/peleffy/data/tests/MAT.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,773 copying build/lib/peleffy/data/tests/malz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,777 copying build/lib/peleffy/data/tests/ethylene_error1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,781 copying build/lib/peleffy/data/tests/MAT.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,787 copying build/lib/peleffy/data/tests/etlz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,791 copying build/lib/peleffy/data/tests/alchemical_structure.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,795 copying build/lib/peleffy/data/tests/ethylene_error3.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,798 copying build/lib/peleffy/data/tests/alchemical_ligandParams_2.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,802 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters5.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,805 copying build/lib/peleffy/data/tests/ligandParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,810 copying build/lib/peleffy/data/tests/OXO_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,813 copying build/lib/peleffy/data/tests/ETL_opls2005_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,817 copying build/lib/peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters1.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,821 copying build/lib/peleffy/data/tests/alchemical_2.rot.assign -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,825 copying build/lib/peleffy/data/tests/OPLS_etlz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,830 copying build/lib/peleffy/data/tests/malz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,834 copying build/lib/peleffy/data/tests/unlz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,839 copying build/lib/peleffy/data/tests/ligSUV_no_elements1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,843 copying build/lib/peleffy/data/tests/ETL_openff-1.2.1_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,848 copying build/lib/peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters2.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,852 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters4.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,857 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters2.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,861 copying build/lib/peleffy/data/tests/OPLS_malz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,866 copying build/lib/peleffy/data/tests/alchemical_mol2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,870 copying build/lib/peleffy/data/tests/metz_OBCParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,874 copying build/lib/peleffy/data/tests/OPLS_metz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,878 copying build/lib/peleffy/data/tests/MET_parameters_to_string.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,882 copying build/lib/peleffy/data/tests/ETL_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,886 copying build/lib/peleffy/data/tests/MAL_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2023-05-14T05:16:57,891 creating build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2023-05-14T05:16:57,892 copying build/lib/peleffy/data/complexes/LIG1_LIG2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2023-05-14T05:16:58,168 copying build/lib/peleffy/data/complexes/complex_test.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2023-05-14T05:16:58,202 copying build/lib/peleffy/data/complexes/LYS_BNZ.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2023-05-14T05:16:58,216 copying build/lib/peleffy/data/complexes/5XXD_SAM.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2023-05-14T05:16:58,250 creating build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,252 copying build/lib/peleffy/data/parameters/ETH.dihedral -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,256 copying build/lib/peleffy/data/parameters/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,264 copying build/lib/peleffy/data/parameters/ETH.conformation -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,267 copying build/lib/peleffy/data/parameters/OBCparam.json -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,271 copying build/lib/peleffy/data/parameters/similarity.param -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,276 copying build/lib/peleffy/data/parameters/f14_sgbnp.param -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2023-05-14T05:16:58,280 copying build/lib/peleffy/main.py -> build/bdist.linux-armv7l/wheel/peleffy 2023-05-14T05:16:58,284 running install_egg_info 2023-05-14T05:16:58,432 running egg_info 2023-05-14T05:16:58,487 writing peleffy.egg-info/PKG-INFO 2023-05-14T05:16:58,490 writing dependency_links to peleffy.egg-info/dependency_links.txt 2023-05-14T05:16:58,495 writing top-level names to peleffy.egg-info/top_level.txt 2023-05-14T05:16:58,604 reading manifest file 'peleffy.egg-info/SOURCES.txt' 2023-05-14T05:16:58,617 reading manifest template 'MANIFEST.in' 2023-05-14T05:16:58,619 adding license file 'LICENSE' 2023-05-14T05:16:58,642 writing manifest file 'peleffy.egg-info/SOURCES.txt' 2023-05-14T05:16:58,645 Copying peleffy.egg-info to build/bdist.linux-armv7l/wheel/peleffy-1.4.4-py3.7.egg-info 2023-05-14T05:16:58,661 running install_scripts 2023-05-14T05:16:58,687 adding license file "LICENSE" (matched pattern "LICEN[CS]E*") 2023-05-14T05:16:58,696 creating build/bdist.linux-armv7l/wheel/peleffy-1.4.4.dist-info/WHEEL 2023-05-14T05:16:58,701 creating '/tmp/pip-wheel-gfpfzlxh/peleffy-1.4.4-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2023-05-14T05:16:58,706 adding 'peleffy/__init__.py' 2023-05-14T05:16:58,709 adding 'peleffy/_version.py' 2023-05-14T05:16:58,714 adding 'peleffy/main.py' 2023-05-14T05:16:58,950 adding 'peleffy/data/complexes/5XXD_SAM.pdb' 2023-05-14T05:16:59,055 adding 'peleffy/data/complexes/LIG1_LIG2.pdb' 2023-05-14T05:16:59,145 adding 'peleffy/data/complexes/LYS_BNZ.pdb' 2023-05-14T05:16:59,398 adding 'peleffy/data/complexes/complex_test.pdb' 2023-05-14T05:16:59,413 adding 'peleffy/data/forcefields/GBSA_OBC1-1.0.offxml' 2023-05-14T05:16:59,416 adding 'peleffy/data/forcefields/GBSA_OBC2-1.0.offxml' 2023-05-14T05:16:59,422 adding 'peleffy/data/ligands/BHP.mae' 2023-05-14T05:16:59,426 adding 'peleffy/data/ligands/BHP.pdb' 2023-05-14T05:16:59,428 adding 'peleffy/data/ligands/BNZ.pdb' 2023-05-14T05:16:59,432 adding 'peleffy/data/ligands/LIG1.pdb' 2023-05-14T05:16:59,435 adding 'peleffy/data/ligands/LIG2.pdb' 2023-05-14T05:16:59,438 adding 'peleffy/data/ligands/SAM.pdb' 2023-05-14T05:16:59,441 adding 'peleffy/data/ligands/acetylene.pdb' 2023-05-14T05:16:59,443 adding 'peleffy/data/ligands/ammonium.pdb' 2023-05-14T05:16:59,446 adding 'peleffy/data/ligands/benzamidine.pdb' 2023-05-14T05:16:59,450 adding 'peleffy/data/ligands/benzene.mae' 2023-05-14T05:16:59,452 adding 'peleffy/data/ligands/benzene.pdb' 2023-05-14T05:16:59,455 adding 'peleffy/data/ligands/benzene_without_connectivity.pdb' 2023-05-14T05:16:59,458 adding 'peleffy/data/ligands/ethylene.mae' 2023-05-14T05:16:59,460 adding 'peleffy/data/ligands/ethylene.pdb' 2023-05-14T05:16:59,463 adding 'peleffy/data/ligands/ligand.pdb' 2023-05-14T05:16:59,466 adding 'peleffy/data/ligands/malonate.mae' 2023-05-14T05:16:59,468 adding 'peleffy/data/ligands/malonate.pdb' 2023-05-14T05:16:59,471 adding 'peleffy/data/ligands/methane.pdb' 2023-05-14T05:16:59,474 adding 'peleffy/data/ligands/modified_sidechain.pdb' 2023-05-14T05:16:59,476 adding 'peleffy/data/ligands/octafluorocyclobutane.pdb' 2023-05-14T05:16:59,480 adding 'peleffy/data/ligands/oleic_acid.pdb' 2023-05-14T05:16:59,482 adding 'peleffy/data/ligands/propionic_acid.pdb' 2023-05-14T05:16:59,486 adding 'peleffy/data/ligands/toluene.mae' 2023-05-14T05:16:59,489 adding 'peleffy/data/ligands/toluene.pdb' 2023-05-14T05:16:59,491 adding 'peleffy/data/ligands/trimethylglycine.pdb' 2023-05-14T05:16:59,494 adding 'peleffy/data/ligands/trimethylglycine_moved.pdb' 2023-05-14T05:16:59,498 adding 'peleffy/data/parameters/ETH.conformation' 2023-05-14T05:16:59,500 adding 'peleffy/data/parameters/ETH.dihedral' 2023-05-14T05:16:59,503 adding 'peleffy/data/parameters/OBCparam.json' 2023-05-14T05:16:59,506 adding 'peleffy/data/parameters/f14_sgbnp.param' 2023-05-14T05:16:59,514 adding 'peleffy/data/parameters/similarity.param' 2023-05-14T05:16:59,530 adding 'peleffy/data/parameters/solventParamsHCTOBC.txt' 2023-05-14T05:16:59,538 adding 'peleffy/data/tests/CO1_ffld_output.txt' 2023-05-14T05:16:59,541 adding 'peleffy/data/tests/ETL_ffld_output.txt' 2023-05-14T05:16:59,544 adding 'peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters1.json' 2023-05-14T05:16:59,547 adding 'peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters2.json' 2023-05-14T05:16:59,550 adding 'peleffy/data/tests/ETL_openff-1.2.1_parameters.json' 2023-05-14T05:16:59,553 adding 'peleffy/data/tests/ETL_opls2005_parameters.json' 2023-05-14T05:16:59,568 adding 'peleffy/data/tests/ETL_solventParamsHCTOBC.txt' 2023-05-14T05:16:59,573 adding 'peleffy/data/tests/MAL_ffld_output.txt' 2023-05-14T05:16:59,588 adding 'peleffy/data/tests/MAL_solventParamsHCTOBC.txt' 2023-05-14T05:16:59,594 adding 'peleffy/data/tests/MAT.mae' 2023-05-14T05:16:59,597 adding 'peleffy/data/tests/MAT.pdb' 2023-05-14T05:16:59,600 adding 'peleffy/data/tests/MET_ffld_output.txt' 2023-05-14T05:16:59,602 adding 'peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters1.json' 2023-05-14T05:16:59,605 adding 'peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters2.json' 2023-05-14T05:16:59,608 adding 'peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters3.json' 2023-05-14T05:16:59,611 adding 'peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters4.json' 2023-05-14T05:16:59,614 adding 'peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters5.json' 2023-05-14T05:16:59,616 adding 'peleffy/data/tests/MET_openff-1.2.1_parameters.json' 2023-05-14T05:16:59,619 adding 'peleffy/data/tests/MET_opls2005_parameters.json' 2023-05-14T05:16:59,622 adding 'peleffy/data/tests/MET_parameters_to_json.json' 2023-05-14T05:16:59,625 adding 'peleffy/data/tests/MET_parameters_to_string.txt' 2023-05-14T05:16:59,640 adding 'peleffy/data/tests/MET_solventParamsHCTOBC.txt' 2023-05-14T05:16:59,649 adding 'peleffy/data/tests/OLC_ffld_output.txt' 2023-05-14T05:16:59,652 adding 'peleffy/data/tests/OPLS_etlz' 2023-05-14T05:16:59,655 adding 'peleffy/data/tests/OPLS_etlz_amber' 2023-05-14T05:16:59,658 adding 'peleffy/data/tests/OPLS_malz' 2023-05-14T05:16:59,661 adding 'peleffy/data/tests/OPLS_malz_amber' 2023-05-14T05:16:59,664 adding 'peleffy/data/tests/OPLS_metz' 2023-05-14T05:16:59,667 adding 'peleffy/data/tests/OPLS_metz_amber' 2023-05-14T05:16:59,669 adding 'peleffy/data/tests/OXO_ffld_output.txt' 2023-05-14T05:16:59,671 adding 'peleffy/data/tests/alchemical_0.rot.assign' 2023-05-14T05:16:59,674 adding 'peleffy/data/tests/alchemical_1.rot.assign' 2023-05-14T05:16:59,676 adding 'peleffy/data/tests/alchemical_2.rot.assign' 2023-05-14T05:16:59,679 adding 'peleffy/data/tests/alchemical_ligandParams_0.txt' 2023-05-14T05:16:59,682 adding 'peleffy/data/tests/alchemical_ligandParams_1.txt' 2023-05-14T05:16:59,684 adding 'peleffy/data/tests/alchemical_ligandParams_2.txt' 2023-05-14T05:16:59,687 adding 'peleffy/data/tests/alchemical_mol1.pdb' 2023-05-14T05:16:59,689 adding 'peleffy/data/tests/alchemical_mol2.pdb' 2023-05-14T05:16:59,692 adding 'peleffy/data/tests/alchemical_structure.pdb' 2023-05-14T05:16:59,695 adding 'peleffy/data/tests/ethane_noH.pdb' 2023-05-14T05:16:59,697 adding 'peleffy/data/tests/ethylene_error1.pdb' 2023-05-14T05:16:59,699 adding 'peleffy/data/tests/ethylene_error2.pdb' 2023-05-14T05:16:59,702 adding 'peleffy/data/tests/ethylene_error3.pdb' 2023-05-14T05:16:59,704 adding 'peleffy/data/tests/ethylene_error4.pdb' 2023-05-14T05:16:59,707 adding 'peleffy/data/tests/etlz' 2023-05-14T05:16:59,709 adding 'peleffy/data/tests/etlz_OBCParams.txt' 2023-05-14T05:16:59,712 adding 'peleffy/data/tests/etlz_amber' 2023-05-14T05:16:59,715 adding 'peleffy/data/tests/ligSUV_fixed.pdb' 2023-05-14T05:16:59,718 adding 'peleffy/data/tests/ligSUV_no_elements1.pdb' 2023-05-14T05:16:59,721 adding 'peleffy/data/tests/ligSUV_no_elements2.pdb' 2023-05-14T05:16:59,724 adding 'peleffy/data/tests/ligSUV_no_elements3.pdb' 2023-05-14T05:16:59,727 adding 'peleffy/data/tests/ligandParams.txt' 2023-05-14T05:16:59,730 adding 'peleffy/data/tests/ligandParams_MAL.txt' 2023-05-14T05:16:59,733 adding 'peleffy/data/tests/malz' 2023-05-14T05:16:59,735 adding 'peleffy/data/tests/malz_OBCParams.txt' 2023-05-14T05:16:59,738 adding 'peleffy/data/tests/malz_amber' 2023-05-14T05:16:59,741 adding 'peleffy/data/tests/metz' 2023-05-14T05:16:59,743 adding 'peleffy/data/tests/metz_OBCParams.txt' 2023-05-14T05:16:59,746 adding 'peleffy/data/tests/metz_amber' 2023-05-14T05:16:59,749 adding 'peleffy/data/tests/unlz' 2023-05-14T05:16:59,755 adding 'peleffy/data/tests/MRO_oleic/HEM.pdb' 2023-05-14T05:16:59,757 adding 'peleffy/data/tests/MRO_oleic/MG.pdb' 2023-05-14T05:16:59,761 adding 'peleffy/data/tests/MRO_oleic/OLC.pdb' 2023-05-14T05:16:59,763 adding 'peleffy/data/tests/MRO_oleic/OXO.pdb' 2023-05-14T05:16:59,767 adding 'peleffy/forcefield/__init__.py' 2023-05-14T05:16:59,770 adding 'peleffy/forcefield/calculators.py' 2023-05-14T05:16:59,774 adding 'peleffy/forcefield/forcefield.py' 2023-05-14T05:16:59,787 adding 'peleffy/forcefield/parameters.py' 2023-05-14T05:16:59,791 adding 'peleffy/forcefield/selectors.py' 2023-05-14T05:16:59,795 adding 'peleffy/solvent/__init__.py' 2023-05-14T05:16:59,799 adding 'peleffy/solvent/solvent.py' 2023-05-14T05:16:59,802 adding 'peleffy/template/__init__.py' 2023-05-14T05:16:59,814 adding 'peleffy/template/impact.py' 2023-05-14T05:16:59,819 adding 'peleffy/tests/__init__.py' 2023-05-14T05:16:59,835 adding 'peleffy/tests/test_alchemistry.py' 2023-05-14T05:16:59,842 adding 'peleffy/tests/test_conformers.py' 2023-05-14T05:16:59,845 adding 'peleffy/tests/test_forcefields.py' 2023-05-14T05:16:59,848 adding 'peleffy/tests/test_integrity.py' 2023-05-14T05:16:59,852 adding 'peleffy/tests/test_main.py' 2023-05-14T05:16:59,855 adding 'peleffy/tests/test_mapper.py' 2023-05-14T05:16:59,860 adding 'peleffy/tests/test_molecule.py' 2023-05-14T05:16:59,871 adding 'peleffy/tests/test_parameters.py' 2023-05-14T05:16:59,876 adding 'peleffy/tests/test_rotamers.py' 2023-05-14T05:16:59,880 adding 'peleffy/tests/test_solvent.py' 2023-05-14T05:16:59,883 adding 'peleffy/tests/test_templates.py' 2023-05-14T05:16:59,887 adding 'peleffy/tests/test_toolkits.py' 2023-05-14T05:16:59,892 adding 'peleffy/tests/test_topology.py' 2023-05-14T05:16:59,899 adding 'peleffy/tests/test_utils.py' 2023-05-14T05:16:59,905 adding 'peleffy/tests/utils.py' 2023-05-14T05:16:59,909 adding 'peleffy/topology/__init__.py' 2023-05-14T05:16:59,920 adding 'peleffy/topology/alchemistry.py' 2023-05-14T05:16:59,924 adding 'peleffy/topology/conformer.py' 2023-05-14T05:16:59,932 adding 'peleffy/topology/elements.py' 2023-05-14T05:16:59,935 adding 'peleffy/topology/mapper.py' 2023-05-14T05:16:59,942 adding 'peleffy/topology/molecule.py' 2023-05-14T05:16:59,950 adding 'peleffy/topology/rotamer.py' 2023-05-14T05:16:59,955 adding 'peleffy/topology/topology.py' 2023-05-14T05:16:59,959 adding 'peleffy/topology/zmatrix.py' 2023-05-14T05:16:59,963 adding 'peleffy/utils/__init__.py' 2023-05-14T05:16:59,966 adding 'peleffy/utils/input.py' 2023-05-14T05:16:59,970 adding 'peleffy/utils/output.py' 2023-05-14T05:16:59,980 adding 'peleffy/utils/toolkits.py' 2023-05-14T05:16:59,986 adding 'peleffy/utils/utils.py' 2023-05-14T05:16:59,991 adding 'peleffy-1.4.4.dist-info/LICENSE' 2023-05-14T05:16:59,993 adding 'peleffy-1.4.4.dist-info/METADATA' 2023-05-14T05:16:59,995 adding 'peleffy-1.4.4.dist-info/WHEEL' 2023-05-14T05:16:59,997 adding 'peleffy-1.4.4.dist-info/top_level.txt' 2023-05-14T05:17:00,001 adding 'peleffy-1.4.4.dist-info/RECORD' 2023-05-14T05:17:00,032 removing build/bdist.linux-armv7l/wheel 2023-05-14T05:17:00,262 Building wheel for peleffy (setup.py): finished with status 'done' 2023-05-14T05:17:00,288 Created wheel for peleffy: filename=peleffy-1.4.4-py3-none-any.whl size=626275 sha256=11bfd745917104bbb7b83d3c52ea7d6e12a06d98990fa6f8e4162558da39454d 2023-05-14T05:17:00,290 Stored in directory: /tmp/pip-ephem-wheel-cache-_a2luv3_/wheels/b9/59/61/9666c593d491f1b8cabebf9983d08d079347c219c48d52492f 2023-05-14T05:17:00,327 Successfully built peleffy 2023-05-14T05:17:00,387 Removed build tracker: '/tmp/pip-build-tracker-8d16fz4l'