2022-06-21T14:29:18,884 Created temporary directory: /tmp/pip-ephem-wheel-cache-lsyhym3x 2022-06-21T14:29:18,891 Created temporary directory: /tmp/pip-req-tracker-8333r36m 2022-06-21T14:29:18,891 Initialized build tracking at /tmp/pip-req-tracker-8333r36m 2022-06-21T14:29:18,892 Created build tracker: /tmp/pip-req-tracker-8333r36m 2022-06-21T14:29:18,892 Entered build tracker: /tmp/pip-req-tracker-8333r36m 2022-06-21T14:29:18,894 Created temporary directory: /tmp/pip-wheel-emcp2w6_ 2022-06-21T14:29:18,963 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2022-06-21T14:29:18,966 2 location(s) to search for versions of peleffy: 2022-06-21T14:29:18,966 * https://pypi.org/simple/peleffy/ 2022-06-21T14:29:18,966 * https://www.piwheels.org/simple/peleffy/ 2022-06-21T14:29:18,967 Fetching project page and analyzing links: https://pypi.org/simple/peleffy/ 2022-06-21T14:29:18,969 Getting page https://pypi.org/simple/peleffy/ 2022-06-21T14:29:18,974 Found index url https://pypi.org/simple 2022-06-21T14:29:19,330 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/57/27/fe4ea3635dbae7397b548ec911d3541e62676b389ce0e71d985aaf10e04a/peleffy-1.0.0-py3-none-any.whl#sha256=2ab64b6bbe61be4685b18c5d3f56c8e3f421b7bac1ac200647052a84d6c16aad (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,331 Found link https://files.pythonhosted.org/packages/21/3e/8ab417b81c0fa43dc49e60e2512d2dd844f46dabce6689baa7963b8fbc15/peleffy-1.0.0.tar.gz#sha256=fe59b07a6dc9bf53afba0582885a02388928ab5f286bdf5d341d983ad762c709 (from https://pypi.org/simple/peleffy/), version: 1.0.0 2022-06-21T14:29:19,332 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/62/da/beeca76271cb160a638488343a1c35382476f1e0ed1cb04e6ab2dcfa9140/peleffy-1.1.0-py3-none-any.whl#sha256=a3df3f04ad8aa2a3186a66e5b6e43de5d1defdfed840dcb07721802a24af6990 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,332 Found link https://files.pythonhosted.org/packages/b4/41/111d2ac6171d8948df8288d96295c8f2e5d15295270d7b01c5e36a4b0d91/peleffy-1.1.0.tar.gz#sha256=96789197c26e716073ba6cfb499efa274bc397376db18e9e819338c5b7330bf6 (from https://pypi.org/simple/peleffy/), version: 1.1.0 2022-06-21T14:29:19,333 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/aa/67/51cbe4caa50d8cc3543c10801a9890e7968b4762d0277c438e7d6773a9a5/peleffy-1.2.0-py3-none-any.whl#sha256=e878b857b29bde2ff999215982041bd08680346fffc267b78cc62af8f2a8cde4 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,334 Found link https://files.pythonhosted.org/packages/77/71/cd1471fb09edfcf870fe4905b27e3fa27449c31225c45271074fa45da585/peleffy-1.2.0.tar.gz#sha256=d29d4b3ef0c74f831696fffae2353b7047073a4e2a20dbb0c0bd9d649b5f9da0 (from https://pypi.org/simple/peleffy/), version: 1.2.0 2022-06-21T14:29:19,335 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/26/bf/2728b0b86b879cf87de97326f6675a6c5b5d71ae571f5612e3e1f75694ff/peleffy-1.2.1-py3-none-any.whl#sha256=04d6f2dc8e0ca11fd5e70b0e38be6712740504f6fa22f5079aa3c1a2508db4c0 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,336 Found link https://files.pythonhosted.org/packages/97/a8/e35adddd101d6895288960cfabfb39fa1b29099a2829332908e51c832c16/peleffy-1.2.1.tar.gz#sha256=0ac701cd7aee59bd1d655fa09eb4b6075db7e57497e484eabe883f4be39c2a24 (from https://pypi.org/simple/peleffy/), version: 1.2.1 2022-06-21T14:29:19,336 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/2c/05/491552e7ffa6f8d88536cd1e3ceabe1fc1b181178216a1da5b9dc77df4ee/peleffy-1.3.0-py3-none-any.whl#sha256=7d7a810376b98b03bf32028fc48adfb2d86f05ae26e88d614c9655718e218ab5 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,337 Found link https://files.pythonhosted.org/packages/64/2b/8008f4e0c299218f926f89d6d4f67680103e72231ed1471be1734d716785/peleffy-1.3.0.tar.gz#sha256=cdd50acc4a7fe22555bb14357f20a21c85bd0e38b10bd65818d9fb185ddc08af (from https://pypi.org/simple/peleffy/), version: 1.3.0 2022-06-21T14:29:19,338 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/b5/71/f1db0dd925963a93165f0c8f0b3472cb2a431ec16458ab68051815695b63/peleffy-1.3.1-py3-none-any.whl#sha256=bad886f07bcb8f522e920bfd87d4716628d48951f8580f9a8672e5a5377f5796 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,339 Found link https://files.pythonhosted.org/packages/5e/78/58c8cae1e1909489e68560275e9df277523bc3900542f6be83a38f3f7bbd/peleffy-1.3.1.tar.gz#sha256=d7d21c9fd1bd302462e88eb7f015975ad0e282bfab2e00f205190b3ee840781f (from https://pypi.org/simple/peleffy/), version: 1.3.1 2022-06-21T14:29:19,339 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/87/89/6952471b60b6086b10023459205daaf6050092d51e5631208549cc45a50b/peleffy-1.3.2-py3-none-any.whl#sha256=b024570ac45d792ccc610b8fba1bc3c68fb73d8890b24361df11072abaf00ed5 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,340 Found link https://files.pythonhosted.org/packages/9b/55/7caefb115eae92faf59156fe64ae426ee1dc63d0cf34e28329f348343ce0/peleffy-1.3.2.tar.gz#sha256=4903750e6d98491039a145a53c10dc8061b837c2f514580545e2c5a00edca90b (from https://pypi.org/simple/peleffy/), version: 1.3.2 2022-06-21T14:29:19,341 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/8b/03/46f6d954892d46c641355d89b8786dc13ed9bc7f56480538fc86f13b3338/peleffy-1.3.3-py3-none-any.whl#sha256=635aa7b84bdbc7d6fb517586bea1dd2017a4de0f265a2c6852a782b1e580fb5a (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,342 Found link https://files.pythonhosted.org/packages/8a/f7/004635dfc277e05a90427a564820dc515a75826175fd148d377f3316d67c/peleffy-1.3.3.tar.gz#sha256=e4237cac697f3b09a4547274095e93bc44d5806daa7149071350787db8f418ae (from https://pypi.org/simple/peleffy/), version: 1.3.3 2022-06-21T14:29:19,343 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/44/9a/142e600e2e0c5b64c6440c959978510aa101917b7199ab32081105163738/peleffy-1.3.4-py3-none-any.whl#sha256=4e2f9dcf3f4ebcb9638fc98d270ba60b26fae35087e4484c0bcdda06f1d40bd3 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,343 Found link https://files.pythonhosted.org/packages/52/d5/f5588550aa1091c2b1530ce177c29924a6e958a6f70427d51f8f9f992123/peleffy-1.3.4.tar.gz#sha256=9d7312f8c4a76eeed03cad72209f7c4d7418784c5dcfe283d32ecc2f4f1ce4ce (from https://pypi.org/simple/peleffy/), version: 1.3.4 2022-06-21T14:29:19,344 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/f1/32/cf49d3b3e43de05458f3471def0e26e22128e0bd7a6f4c9caa6fd5cdbbf0/peleffy-1.4.0-py3-none-any.whl#sha256=ddb489b57fc5e3c61384d9ac49dd90c9ba386b94df38d60f95256e4fcf21a7be (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,345 Found link https://files.pythonhosted.org/packages/23/e1/73f8fbc4c275abab8f19452d6eaad40918b4f970c8c0a7468772f137d267/peleffy-1.4.0.tar.gz#sha256=93f2c25380d5d9a2c47ba1d54e934ad520fdc5cb66dd949177b13cc22e99b1f8 (from https://pypi.org/simple/peleffy/), version: 1.4.0 2022-06-21T14:29:19,346 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/ba/df/ce97e6e37c943d77a389fe6c2b4d418ec414a8e20c27e59ee04fd79e6b8b/peleffy-1.4.1-py3-none-any.whl#sha256=b52497a007b3dd5e69804c7ddbd5f411c3ee4f6834f75309897c1c6b2287b316 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,347 Found link https://files.pythonhosted.org/packages/0d/cc/17c8fe292a8685a6ba9a288631a18a81caf383642c13aa4d141cd87898ec/peleffy-1.4.1.tar.gz#sha256=557bddaa1a6bf13175095f8fce193b35260870535e3e0978a77700f0e11f18cc (from https://pypi.org/simple/peleffy/), version: 1.4.1 2022-06-21T14:29:19,347 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/e6/b8/631b797cd6e48624c9748501db41860821a41ec8b30c2fd877ff91c9ee57/peleffy-1.4.2-py3-none-any.whl#sha256=8a1d42e1d80c56af90c9fa0d03d34201231db4cb7fd82f523557717c57c9209a (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,348 Found link https://files.pythonhosted.org/packages/47/ea/2d71513014f53f53008bdbf5741cadacc16603671ffc8d903dac9f1bc5ed/peleffy-1.4.2.tar.gz#sha256=fe313c0b80cf4718d3cbd75c29e74fe0c6e72ae07d468a8017a1800688554f6a (from https://pypi.org/simple/peleffy/), version: 1.4.2 2022-06-21T14:29:19,349 Skipping link: No binaries permitted for peleffy: https://files.pythonhosted.org/packages/34/22/f53b817aba7747da7f5fab5050ccb08461148aa3cd773fb48d29faaa7663/peleffy-1.4.3-py3-none-any.whl#sha256=ef3f8933659eb0a1d6bf67b5d15180c46af08dfd7944a4754b59b2d7c96ef228 (from https://pypi.org/simple/peleffy/) 2022-06-21T14:29:19,350 Found link https://files.pythonhosted.org/packages/b9/02/985dc8ea7d4e54c80534507082532311fc42c29ec4e7285792787ba0ed6a/peleffy-1.4.3.tar.gz#sha256=75afb98cd61833687d63d0a5614617ece8222b5d4dc863b8701d37bfa7275912 (from https://pypi.org/simple/peleffy/), version: 1.4.3 2022-06-21T14:29:19,351 Fetching project page and analyzing links: https://www.piwheels.org/simple/peleffy/ 2022-06-21T14:29:19,351 Getting page https://www.piwheels.org/simple/peleffy/ 2022-06-21T14:29:19,354 Found index url https://www.piwheels.org/simple 2022-06-21T14:29:19,582 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/) 2022-06-21T14:29:19,583 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/) 2022-06-21T14:29:19,584 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/) 2022-06-21T14:29:19,585 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/) 2022-06-21T14:29:19,585 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/) 2022-06-21T14:29:19,586 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/) 2022-06-21T14:29:19,586 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/) 2022-06-21T14:29:19,587 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/) 2022-06-21T14:29:19,587 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/) 2022-06-21T14:29:19,588 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/) 2022-06-21T14:29:19,588 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/) 2022-06-21T14:29:19,589 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/) 2022-06-21T14:29:19,623 Given no hashes to check 1 links for project 'peleffy': discarding no candidates 2022-06-21T14:29:19,656 Collecting peleffy==1.4.3 2022-06-21T14:29:19,659 Created temporary directory: /tmp/pip-unpack-xk8uz2gd 2022-06-21T14:29:20,504 Downloading peleffy-1.4.3.tar.gz (585 kB) 2022-06-21T14:29:21,950 Added peleffy==1.4.3 from https://files.pythonhosted.org/packages/b9/02/985dc8ea7d4e54c80534507082532311fc42c29ec4e7285792787ba0ed6a/peleffy-1.4.3.tar.gz#sha256=75afb98cd61833687d63d0a5614617ece8222b5d4dc863b8701d37bfa7275912 to build tracker '/tmp/pip-req-tracker-8333r36m' 2022-06-21T14:29:21,952 Running setup.py (path:/tmp/pip-wheel-emcp2w6_/peleffy_d1e63482acd14dee977179550ec0e7ea/setup.py) egg_info for package peleffy 2022-06-21T14:29:21,954 Created temporary directory: /tmp/pip-pip-egg-info-6eamvdyl 2022-06-21T14:29:21,955 Running command python setup.py egg_info 2022-06-21T14:29:24,469 running egg_info 2022-06-21T14:29:24,475 creating /tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info 2022-06-21T14:29:24,477 writing /tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info/PKG-INFO 2022-06-21T14:29:24,482 writing top-level names to /tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info/top_level.txt 2022-06-21T14:29:24,487 writing dependency_links to /tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info/dependency_links.txt 2022-06-21T14:29:24,490 writing manifest file '/tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info/SOURCES.txt' 2022-06-21T14:29:24,506 package init file 'peleffy/data/__init__.py' not found (or not a regular file) 2022-06-21T14:29:24,555 reading manifest file '/tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info/SOURCES.txt' 2022-06-21T14:29:24,560 reading manifest template 'MANIFEST.in' 2022-06-21T14:29:24,578 writing manifest file '/tmp/pip-pip-egg-info-6eamvdyl/peleffy.egg-info/SOURCES.txt' 2022-06-21T14:29:24,713 Source in /tmp/pip-wheel-emcp2w6_/peleffy_d1e63482acd14dee977179550ec0e7ea has version 1.4.3, which satisfies requirement peleffy==1.4.3 from https://files.pythonhosted.org/packages/b9/02/985dc8ea7d4e54c80534507082532311fc42c29ec4e7285792787ba0ed6a/peleffy-1.4.3.tar.gz#sha256=75afb98cd61833687d63d0a5614617ece8222b5d4dc863b8701d37bfa7275912 2022-06-21T14:29:24,715 Removed peleffy==1.4.3 from https://files.pythonhosted.org/packages/b9/02/985dc8ea7d4e54c80534507082532311fc42c29ec4e7285792787ba0ed6a/peleffy-1.4.3.tar.gz#sha256=75afb98cd61833687d63d0a5614617ece8222b5d4dc863b8701d37bfa7275912 from build tracker '/tmp/pip-req-tracker-8333r36m' 2022-06-21T14:29:24,723 Created temporary directory: /tmp/pip-unpack-j61gvo6q 2022-06-21T14:29:24,724 Building wheels for collected packages: peleffy 2022-06-21T14:29:24,732 Created temporary directory: /tmp/pip-wheel-g2sk2blf 2022-06-21T14:29:24,733 Building wheel for peleffy (setup.py): started 2022-06-21T14:29:24,734 Destination directory: /tmp/pip-wheel-g2sk2blf 2022-06-21T14:29:24,735 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-emcp2w6_/peleffy_d1e63482acd14dee977179550ec0e7ea/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-emcp2w6_/peleffy_d1e63482acd14dee977179550ec0e7ea/setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(__file__);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' bdist_wheel -d /tmp/pip-wheel-g2sk2blf 2022-06-21T14:29:27,202 running bdist_wheel 2022-06-21T14:29:27,214 running build 2022-06-21T14:29:27,215 running build_py 2022-06-21T14:29:27,227 creating build 2022-06-21T14:29:27,228 creating build/lib 2022-06-21T14:29:27,229 creating build/lib/peleffy 2022-06-21T14:29:27,231 copying peleffy/main.py -> build/lib/peleffy 2022-06-21T14:29:27,237 copying peleffy/_version.py -> build/lib/peleffy 2022-06-21T14:29:27,240 copying peleffy/__init__.py -> build/lib/peleffy 2022-06-21T14:29:27,248 creating build/lib/peleffy/tests 2022-06-21T14:29:27,251 copying peleffy/tests/test_molecule.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,259 copying peleffy/tests/test_main.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,266 copying peleffy/tests/test_forcefields.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,272 copying peleffy/tests/test_utils.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,279 copying peleffy/tests/test_solvent.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,284 copying peleffy/tests/test_parameters.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,296 copying peleffy/tests/test_topology.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,304 copying peleffy/tests/test_rotamers.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,311 copying peleffy/tests/utils.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,318 copying peleffy/tests/test_mapper.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,324 copying peleffy/tests/test_templates.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,329 copying peleffy/tests/__init__.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,332 copying peleffy/tests/test_alchemistry.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,354 copying peleffy/tests/test_toolkits.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,360 copying peleffy/tests/test_integrity.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,365 copying peleffy/tests/test_conformers.py -> build/lib/peleffy/tests 2022-06-21T14:29:27,370 package init file 'peleffy/data/__init__.py' not found (or not a regular file) 2022-06-21T14:29:27,374 creating build/lib/peleffy/template 2022-06-21T14:29:27,376 copying peleffy/template/__init__.py -> build/lib/peleffy/template 2022-06-21T14:29:27,382 copying peleffy/template/impact.py -> build/lib/peleffy/template 2022-06-21T14:29:27,392 creating build/lib/peleffy/solvent 2022-06-21T14:29:27,394 copying peleffy/solvent/solvent.py -> build/lib/peleffy/solvent 2022-06-21T14:29:27,400 copying peleffy/solvent/__init__.py -> build/lib/peleffy/solvent 2022-06-21T14:29:27,405 creating build/lib/peleffy/topology 2022-06-21T14:29:27,407 copying peleffy/topology/topology.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,415 copying peleffy/topology/elements.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,424 copying peleffy/topology/mapper.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,429 copying peleffy/topology/molecule.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,436 copying peleffy/topology/conformer.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,441 copying peleffy/topology/__init__.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,445 copying peleffy/topology/alchemistry.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,455 copying peleffy/topology/zmatrix.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,462 copying peleffy/topology/rotamer.py -> build/lib/peleffy/topology 2022-06-21T14:29:27,473 creating build/lib/peleffy/forcefield 2022-06-21T14:29:27,475 copying peleffy/forcefield/parameters.py -> build/lib/peleffy/forcefield 2022-06-21T14:29:27,487 copying peleffy/forcefield/selectors.py -> build/lib/peleffy/forcefield 2022-06-21T14:29:27,492 copying peleffy/forcefield/calculators.py -> build/lib/peleffy/forcefield 2022-06-21T14:29:27,496 copying peleffy/forcefield/forcefield.py -> build/lib/peleffy/forcefield 2022-06-21T14:29:27,502 copying peleffy/forcefield/__init__.py -> build/lib/peleffy/forcefield 2022-06-21T14:29:27,507 creating build/lib/peleffy/utils 2022-06-21T14:29:27,509 copying peleffy/utils/toolkits.py -> build/lib/peleffy/utils 2022-06-21T14:29:27,520 copying peleffy/utils/input.py -> build/lib/peleffy/utils 2022-06-21T14:29:27,527 copying peleffy/utils/output.py -> build/lib/peleffy/utils 2022-06-21T14:29:27,534 copying peleffy/utils/utils.py -> build/lib/peleffy/utils 2022-06-21T14:29:27,541 copying peleffy/utils/__init__.py -> build/lib/peleffy/utils 2022-06-21T14:29:27,620 creating build/lib/peleffy/data 2022-06-21T14:29:27,620 creating build/lib/peleffy/data/tests 2022-06-21T14:29:27,623 copying peleffy/data/tests/ethylene_error4.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,628 copying peleffy/data/tests/MET_parameters_to_string.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,633 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters3.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,638 copying peleffy/data/tests/MET_ffld_output.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,643 copying peleffy/data/tests/CO1_ffld_output.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,649 copying peleffy/data/tests/ETL_opls2005_parameters.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,655 copying peleffy/data/tests/alchemical_ligandParams_2.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,661 copying peleffy/data/tests/malz_OBCParams.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,667 copying peleffy/data/tests/ligandParams.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,675 copying peleffy/data/tests/alchemical_mol1.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,680 copying peleffy/data/tests/MET_solventParamsHCTOBC.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,691 copying peleffy/data/tests/ligandParams_MAL.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,696 copying peleffy/data/tests/MAL_solventParamsHCTOBC.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,709 copying peleffy/data/tests/ethylene_error2.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,715 copying peleffy/data/tests/OPLS_malz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,722 copying peleffy/data/tests/OPLS_etlz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,728 copying peleffy/data/tests/alchemical_structure.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,735 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters1.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,742 copying peleffy/data/tests/etlz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,748 copying peleffy/data/tests/alchemical_ligandParams_0.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,755 copying peleffy/data/tests/ETL_solventParamsHCTOBC.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,768 copying peleffy/data/tests/OXO_ffld_output.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,774 copying peleffy/data/tests/ETL_openff-1.2.1_parameters.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,781 copying peleffy/data/tests/MAL_ffld_output.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,789 copying peleffy/data/tests/metz_OBCParams.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,795 copying peleffy/data/tests/ligSUV_fixed.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,801 copying peleffy/data/tests/metz_amber -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,806 copying peleffy/data/tests/etlz_OBCParams.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,810 copying peleffy/data/tests/ethylene_error1.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,815 copying peleffy/data/tests/metz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,821 copying peleffy/data/tests/ligSUV_no_elements1.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,827 copying peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters2.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,835 copying peleffy/data/tests/alchemical_ligandParams_1.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,841 copying peleffy/data/tests/OPLS_malz_amber -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,848 copying peleffy/data/tests/MAT.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,854 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters5.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,861 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters2.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,869 copying peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters4.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,877 copying peleffy/data/tests/alchemical_2.rot.assign -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,883 copying peleffy/data/tests/MAT.mae -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,890 copying peleffy/data/tests/alchemical_1.rot.assign -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,895 copying peleffy/data/tests/malz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,901 copying peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters1.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,907 copying peleffy/data/tests/OPLS_etlz_amber -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,913 copying peleffy/data/tests/ligSUV_no_elements2.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,919 copying peleffy/data/tests/OPLS_metz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,926 copying peleffy/data/tests/MET_opls2005_parameters.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,932 copying peleffy/data/tests/OPLS_metz_amber -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,939 copying peleffy/data/tests/alchemical_0.rot.assign -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,945 copying peleffy/data/tests/etlz_amber -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,951 copying peleffy/data/tests/ethane_noH.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,958 copying peleffy/data/tests/unlz -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,964 copying peleffy/data/tests/ethylene_error3.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,969 copying peleffy/data/tests/ETL_ffld_output.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,974 copying peleffy/data/tests/ligSUV_no_elements3.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,979 copying peleffy/data/tests/MET_parameters_to_json.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,985 copying peleffy/data/tests/MET_openff-1.2.1_parameters.json -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,992 copying peleffy/data/tests/malz_amber -> build/lib/peleffy/data/tests 2022-06-21T14:29:27,999 copying peleffy/data/tests/alchemical_mol2.pdb -> build/lib/peleffy/data/tests 2022-06-21T14:29:28,005 copying peleffy/data/tests/OLC_ffld_output.txt -> build/lib/peleffy/data/tests 2022-06-21T14:29:28,016 creating build/lib/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:28,019 copying peleffy/data/tests/MRO_oleic/OLC.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:28,027 copying peleffy/data/tests/MRO_oleic/OXO.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:28,033 copying peleffy/data/tests/MRO_oleic/MG.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:28,039 copying peleffy/data/tests/MRO_oleic/HEM.pdb -> build/lib/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:28,045 creating build/lib/peleffy/data/ligands 2022-06-21T14:29:28,047 copying peleffy/data/ligands/ethylene.mae -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,052 copying peleffy/data/ligands/methane.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,057 copying peleffy/data/ligands/oleic_acid.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,062 copying peleffy/data/ligands/malonate.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,069 copying peleffy/data/ligands/benzene_without_connectivity.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,075 copying peleffy/data/ligands/BHP.mae -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,084 copying peleffy/data/ligands/benzene.mae -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,091 copying peleffy/data/ligands/trimethylglycine.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,097 copying peleffy/data/ligands/ammonium.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,104 copying peleffy/data/ligands/malonate.mae -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,110 copying peleffy/data/ligands/modified_sidechain.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,117 copying peleffy/data/ligands/acetylene.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,124 copying peleffy/data/ligands/trimethylglycine_moved.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,130 copying peleffy/data/ligands/ligand.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,138 copying peleffy/data/ligands/toluene.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,144 copying peleffy/data/ligands/propionic_acid.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,151 copying peleffy/data/ligands/octafluorocyclobutane.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,157 copying peleffy/data/ligands/benzamidine.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,164 copying peleffy/data/ligands/BNZ.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,171 copying peleffy/data/ligands/BHP.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,177 copying peleffy/data/ligands/LIG2.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,185 copying peleffy/data/ligands/SAM.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,193 copying peleffy/data/ligands/toluene.mae -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,200 copying peleffy/data/ligands/ethylene.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,206 copying peleffy/data/ligands/LIG1.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,212 copying peleffy/data/ligands/benzene.pdb -> build/lib/peleffy/data/ligands 2022-06-21T14:29:28,216 creating build/lib/peleffy/data/complexes 2022-06-21T14:29:28,218 copying peleffy/data/complexes/LYS_BNZ.pdb -> build/lib/peleffy/data/complexes 2022-06-21T14:29:28,245 copying peleffy/data/complexes/complex_test.pdb -> build/lib/peleffy/data/complexes 2022-06-21T14:29:28,306 copying peleffy/data/complexes/5XXD_SAM.pdb -> build/lib/peleffy/data/complexes 2022-06-21T14:29:28,366 copying peleffy/data/complexes/LIG1_LIG2.pdb -> build/lib/peleffy/data/complexes 2022-06-21T14:29:28,395 creating build/lib/peleffy/data/parameters 2022-06-21T14:29:28,398 copying peleffy/data/parameters/OBCparam.json -> build/lib/peleffy/data/parameters 2022-06-21T14:29:28,404 copying peleffy/data/parameters/similarity.param -> build/lib/peleffy/data/parameters 2022-06-21T14:29:28,413 copying peleffy/data/parameters/ETH.conformation -> build/lib/peleffy/data/parameters 2022-06-21T14:29:28,421 copying peleffy/data/parameters/solventParamsHCTOBC.txt -> build/lib/peleffy/data/parameters 2022-06-21T14:29:28,434 copying peleffy/data/parameters/f14_sgbnp.param -> build/lib/peleffy/data/parameters 2022-06-21T14:29:28,440 copying peleffy/data/parameters/ETH.dihedral -> build/lib/peleffy/data/parameters 2022-06-21T14:29:28,445 creating build/lib/peleffy/data/forcefields 2022-06-21T14:29:28,448 copying peleffy/data/forcefields/GBSA_OBC1-1.0.offxml -> build/lib/peleffy/data/forcefields 2022-06-21T14:29:28,456 copying peleffy/data/forcefields/GBSA_OBC2-1.0.offxml -> build/lib/peleffy/data/forcefields 2022-06-21T14:29:28,478 UPDATING build/lib/peleffy/_version.py 2022-06-21T14:29:28,481 set build/lib/peleffy/_version.py to '1.4.3' 2022-06-21T14:29:28,489 installing to build/bdist.linux-armv7l/wheel 2022-06-21T14:29:28,490 running install 2022-06-21T14:29:28,493 running install_lib 2022-06-21T14:29:28,502 creating build/bdist.linux-armv7l 2022-06-21T14:29:28,504 creating build/bdist.linux-armv7l/wheel 2022-06-21T14:29:28,508 creating build/bdist.linux-armv7l/wheel/peleffy 2022-06-21T14:29:28,512 creating build/bdist.linux-armv7l/wheel/peleffy/utils 2022-06-21T14:29:28,515 copying build/lib/peleffy/utils/toolkits.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2022-06-21T14:29:28,525 copying build/lib/peleffy/utils/input.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2022-06-21T14:29:28,532 copying build/lib/peleffy/utils/output.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2022-06-21T14:29:28,540 copying build/lib/peleffy/utils/utils.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2022-06-21T14:29:28,549 copying build/lib/peleffy/utils/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/utils 2022-06-21T14:29:28,556 creating build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,558 copying build/lib/peleffy/tests/test_molecule.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,566 copying build/lib/peleffy/tests/test_main.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,577 copying build/lib/peleffy/tests/test_forcefields.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,586 copying build/lib/peleffy/tests/test_utils.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,596 copying build/lib/peleffy/tests/test_solvent.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,601 copying build/lib/peleffy/tests/test_parameters.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,613 copying build/lib/peleffy/tests/test_topology.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,622 copying build/lib/peleffy/tests/test_rotamers.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,631 copying build/lib/peleffy/tests/utils.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,638 copying build/lib/peleffy/tests/test_mapper.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,643 copying build/lib/peleffy/tests/test_templates.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,649 copying build/lib/peleffy/tests/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,654 copying build/lib/peleffy/tests/test_alchemistry.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,677 copying build/lib/peleffy/tests/test_toolkits.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,683 copying build/lib/peleffy/tests/test_integrity.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,688 copying build/lib/peleffy/tests/test_conformers.py -> build/bdist.linux-armv7l/wheel/peleffy/tests 2022-06-21T14:29:28,695 creating build/bdist.linux-armv7l/wheel/peleffy/forcefield 2022-06-21T14:29:28,699 copying build/lib/peleffy/forcefield/parameters.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2022-06-21T14:29:28,712 copying build/lib/peleffy/forcefield/selectors.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2022-06-21T14:29:28,718 copying build/lib/peleffy/forcefield/calculators.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2022-06-21T14:29:28,724 copying build/lib/peleffy/forcefield/forcefield.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2022-06-21T14:29:28,730 copying build/lib/peleffy/forcefield/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/forcefield 2022-06-21T14:29:28,737 creating build/bdist.linux-armv7l/wheel/peleffy/solvent 2022-06-21T14:29:28,740 copying build/lib/peleffy/solvent/solvent.py -> build/bdist.linux-armv7l/wheel/peleffy/solvent 2022-06-21T14:29:28,749 copying build/lib/peleffy/solvent/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/solvent 2022-06-21T14:29:28,756 copying build/lib/peleffy/main.py -> build/bdist.linux-armv7l/wheel/peleffy 2022-06-21T14:29:28,762 copying build/lib/peleffy/_version.py -> build/bdist.linux-armv7l/wheel/peleffy 2022-06-21T14:29:28,767 copying build/lib/peleffy/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy 2022-06-21T14:29:28,772 creating build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,775 copying build/lib/peleffy/topology/topology.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,782 copying build/lib/peleffy/topology/elements.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,790 copying build/lib/peleffy/topology/mapper.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,796 copying build/lib/peleffy/topology/molecule.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,806 copying build/lib/peleffy/topology/conformer.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,814 copying build/lib/peleffy/topology/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,820 copying build/lib/peleffy/topology/alchemistry.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,830 copying build/lib/peleffy/topology/zmatrix.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,836 copying build/lib/peleffy/topology/rotamer.py -> build/bdist.linux-armv7l/wheel/peleffy/topology 2022-06-21T14:29:28,847 creating build/bdist.linux-armv7l/wheel/peleffy/template 2022-06-21T14:29:28,851 copying build/lib/peleffy/template/__init__.py -> build/bdist.linux-armv7l/wheel/peleffy/template 2022-06-21T14:29:28,857 copying build/lib/peleffy/template/impact.py -> build/bdist.linux-armv7l/wheel/peleffy/template 2022-06-21T14:29:28,870 creating build/bdist.linux-armv7l/wheel/peleffy/data 2022-06-21T14:29:28,876 creating build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,879 copying build/lib/peleffy/data/tests/ethylene_error4.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,886 copying build/lib/peleffy/data/tests/MET_parameters_to_string.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,893 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters3.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,900 copying build/lib/peleffy/data/tests/MET_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,906 copying build/lib/peleffy/data/tests/CO1_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,912 copying build/lib/peleffy/data/tests/ETL_opls2005_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,918 copying build/lib/peleffy/data/tests/alchemical_ligandParams_2.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,923 copying build/lib/peleffy/data/tests/malz_OBCParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,930 copying build/lib/peleffy/data/tests/ligandParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,938 copying build/lib/peleffy/data/tests/alchemical_mol1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,944 copying build/lib/peleffy/data/tests/MET_solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,955 copying build/lib/peleffy/data/tests/ligandParams_MAL.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,959 copying build/lib/peleffy/data/tests/MAL_solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,971 copying build/lib/peleffy/data/tests/ethylene_error2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,976 copying build/lib/peleffy/data/tests/OPLS_malz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,982 copying build/lib/peleffy/data/tests/OPLS_etlz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,987 copying build/lib/peleffy/data/tests/alchemical_structure.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,993 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters1.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:28,999 copying build/lib/peleffy/data/tests/etlz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,004 copying build/lib/peleffy/data/tests/alchemical_ligandParams_0.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,008 copying build/lib/peleffy/data/tests/ETL_solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,019 copying build/lib/peleffy/data/tests/OXO_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,023 copying build/lib/peleffy/data/tests/ETL_openff-1.2.1_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,029 copying build/lib/peleffy/data/tests/MAL_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,035 copying build/lib/peleffy/data/tests/metz_OBCParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,041 copying build/lib/peleffy/data/tests/ligSUV_fixed.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,046 copying build/lib/peleffy/data/tests/metz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,051 copying build/lib/peleffy/data/tests/etlz_OBCParams.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,055 copying build/lib/peleffy/data/tests/ethylene_error1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,061 creating build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:29,064 copying build/lib/peleffy/data/tests/MRO_oleic/OLC.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:29,070 copying build/lib/peleffy/data/tests/MRO_oleic/OXO.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:29,074 copying build/lib/peleffy/data/tests/MRO_oleic/MG.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:29,079 copying build/lib/peleffy/data/tests/MRO_oleic/HEM.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests/MRO_oleic 2022-06-21T14:29:29,085 copying build/lib/peleffy/data/tests/metz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,092 copying build/lib/peleffy/data/tests/ligSUV_no_elements1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,099 copying build/lib/peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters2.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,107 copying build/lib/peleffy/data/tests/alchemical_ligandParams_1.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,112 copying build/lib/peleffy/data/tests/OPLS_malz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,117 copying build/lib/peleffy/data/tests/MAT.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,122 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters5.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,127 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters2.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,134 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_opls2005_parameters4.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,140 copying build/lib/peleffy/data/tests/alchemical_2.rot.assign -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,145 copying build/lib/peleffy/data/tests/MAT.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,151 copying build/lib/peleffy/data/tests/alchemical_1.rot.assign -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,155 copying build/lib/peleffy/data/tests/malz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,159 copying build/lib/peleffy/data/tests/ETL_openff-1.2.1_opls2005_parameters1.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,164 copying build/lib/peleffy/data/tests/OPLS_etlz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,169 copying build/lib/peleffy/data/tests/ligSUV_no_elements2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,175 copying build/lib/peleffy/data/tests/OPLS_metz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,180 copying build/lib/peleffy/data/tests/MET_opls2005_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,186 copying build/lib/peleffy/data/tests/OPLS_metz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,192 copying build/lib/peleffy/data/tests/alchemical_0.rot.assign -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,196 copying build/lib/peleffy/data/tests/etlz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,200 copying build/lib/peleffy/data/tests/ethane_noH.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,204 copying build/lib/peleffy/data/tests/unlz -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,209 copying build/lib/peleffy/data/tests/ethylene_error3.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,214 copying build/lib/peleffy/data/tests/ETL_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,220 copying build/lib/peleffy/data/tests/ligSUV_no_elements3.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,226 copying build/lib/peleffy/data/tests/MET_parameters_to_json.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,231 copying build/lib/peleffy/data/tests/MET_openff-1.2.1_parameters.json -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,235 copying build/lib/peleffy/data/tests/malz_amber -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,240 copying build/lib/peleffy/data/tests/alchemical_mol2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,244 copying build/lib/peleffy/data/tests/OLC_ffld_output.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/tests 2022-06-21T14:29:29,256 creating build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,258 copying build/lib/peleffy/data/ligands/ethylene.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,264 copying build/lib/peleffy/data/ligands/methane.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,270 copying build/lib/peleffy/data/ligands/oleic_acid.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,275 copying build/lib/peleffy/data/ligands/malonate.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,279 copying build/lib/peleffy/data/ligands/benzene_without_connectivity.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,283 copying build/lib/peleffy/data/ligands/BHP.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,288 copying build/lib/peleffy/data/ligands/benzene.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,294 copying build/lib/peleffy/data/ligands/trimethylglycine.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,300 copying build/lib/peleffy/data/ligands/ammonium.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,306 copying build/lib/peleffy/data/ligands/malonate.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,311 copying build/lib/peleffy/data/ligands/modified_sidechain.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,316 copying build/lib/peleffy/data/ligands/acetylene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,320 copying build/lib/peleffy/data/ligands/trimethylglycine_moved.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,324 copying build/lib/peleffy/data/ligands/ligand.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,329 copying build/lib/peleffy/data/ligands/toluene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,334 copying build/lib/peleffy/data/ligands/propionic_acid.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,339 copying build/lib/peleffy/data/ligands/octafluorocyclobutane.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,344 copying build/lib/peleffy/data/ligands/benzamidine.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,350 copying build/lib/peleffy/data/ligands/BNZ.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,355 copying build/lib/peleffy/data/ligands/BHP.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,359 copying build/lib/peleffy/data/ligands/LIG2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,364 copying build/lib/peleffy/data/ligands/SAM.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,369 copying build/lib/peleffy/data/ligands/toluene.mae -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,375 copying build/lib/peleffy/data/ligands/ethylene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,380 copying build/lib/peleffy/data/ligands/LIG1.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,386 copying build/lib/peleffy/data/ligands/benzene.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/ligands 2022-06-21T14:29:29,394 creating build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2022-06-21T14:29:29,395 copying build/lib/peleffy/data/complexes/LYS_BNZ.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2022-06-21T14:29:29,421 copying build/lib/peleffy/data/complexes/complex_test.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2022-06-21T14:29:29,482 copying build/lib/peleffy/data/complexes/5XXD_SAM.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2022-06-21T14:29:29,543 copying build/lib/peleffy/data/complexes/LIG1_LIG2.pdb -> build/bdist.linux-armv7l/wheel/peleffy/data/complexes 2022-06-21T14:29:29,573 creating build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,574 copying build/lib/peleffy/data/parameters/OBCparam.json -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,581 copying build/lib/peleffy/data/parameters/similarity.param -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,588 copying build/lib/peleffy/data/parameters/ETH.conformation -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,593 copying build/lib/peleffy/data/parameters/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,606 copying build/lib/peleffy/data/parameters/f14_sgbnp.param -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,612 copying build/lib/peleffy/data/parameters/ETH.dihedral -> build/bdist.linux-armv7l/wheel/peleffy/data/parameters 2022-06-21T14:29:29,618 creating build/bdist.linux-armv7l/wheel/peleffy/data/forcefields 2022-06-21T14:29:29,620 copying build/lib/peleffy/data/forcefields/GBSA_OBC1-1.0.offxml -> build/bdist.linux-armv7l/wheel/peleffy/data/forcefields 2022-06-21T14:29:29,625 copying build/lib/peleffy/data/forcefields/GBSA_OBC2-1.0.offxml -> build/bdist.linux-armv7l/wheel/peleffy/data/forcefields 2022-06-21T14:29:29,628 running install_egg_info 2022-06-21T14:29:29,663 running egg_info 2022-06-21T14:29:29,664 writing top-level names to peleffy.egg-info/top_level.txt 2022-06-21T14:29:29,668 writing peleffy.egg-info/PKG-INFO 2022-06-21T14:29:29,672 writing dependency_links to peleffy.egg-info/dependency_links.txt 2022-06-21T14:29:29,696 reading manifest file 'peleffy.egg-info/SOURCES.txt' 2022-06-21T14:29:29,708 reading manifest template 'MANIFEST.in' 2022-06-21T14:29:29,733 writing manifest file 'peleffy.egg-info/SOURCES.txt' 2022-06-21T14:29:29,737 Copying peleffy.egg-info to build/bdist.linux-armv7l/wheel/peleffy-1.4.3-py3.5.egg-info 2022-06-21T14:29:29,758 running install_scripts 2022-06-21T14:29:29,939 creating build/bdist.linux-armv7l/wheel/peleffy-1.4.3.dist-info/WHEEL 2022-06-21T14:29:31,381 Building wheel for peleffy (setup.py): finished with status 'done' 2022-06-21T14:29:31,396 Created wheel for peleffy: filename=peleffy-1.4.3-py3-none-any.whl size=625971 sha256=37481d8dd85aca9e6b0c1fc507149ec5d0a635a89de610e75e4f529c40ed1bf0 2022-06-21T14:29:31,397 Stored in directory: /tmp/pip-ephem-wheel-cache-lsyhym3x/wheels/94/18/c3/92dd3c998d9ebeae8c574dbe55441ceabfab736efd95904301 2022-06-21T14:29:31,427 Successfully built peleffy 2022-06-21T14:29:31,540 Removed build tracker: '/tmp/pip-req-tracker-8333r36m'