2021-05-19T13:13:51,119 DEPRECATION: Python 3.5 reached the end of its life on September 13th, 2020. Please upgrade your Python as Python 3.5 is no longer maintained. pip 21.0 will drop support for Python 3.5 in January 2021. pip 21.0 will remove support for this functionality. 2021-05-19T13:13:52,067 Created temporary directory: /tmp/pip-ephem-wheel-cache-sk0pmmuu 2021-05-19T13:13:52,072 Created temporary directory: /tmp/pip-req-tracker-__zy7_mf 2021-05-19T13:13:52,073 Initialized build tracking at /tmp/pip-req-tracker-__zy7_mf 2021-05-19T13:13:52,074 Created build tracker: /tmp/pip-req-tracker-__zy7_mf 2021-05-19T13:13:52,074 Entered build tracker: /tmp/pip-req-tracker-__zy7_mf 2021-05-19T13:13:52,075 Created temporary directory: /tmp/pip-wheel-l7crjs26 2021-05-19T13:13:52,145 1 location(s) to search for versions of pele-platform: 2021-05-19T13:13:52,145 * https://pypi.org/simple/pele-platform/ 2021-05-19T13:13:52,146 Fetching project page and analyzing links: https://pypi.org/simple/pele-platform/ 2021-05-19T13:13:52,148 Getting page https://pypi.org/simple/pele-platform/ 2021-05-19T13:13:52,153 Found index url https://pypi.org/simple 2021-05-19T13:13:52,507 Found link https://files.pythonhosted.org/packages/f0/ac/9497572d7da4e501c8dddc3be3fa338744dbc27b67eb09275b8375fae2fd/pele_platform-1.0.0.1.tar.gz#sha256=e3c8bde654fe3d249714c4ddb1d3471944752f6840a6bcf4b399a3466931b838 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.1 2021-05-19T13:13:52,508 Found link https://files.pythonhosted.org/packages/79/a0/d1b4b9269c3fe9dd2edc878a2dec9d3f4e7701cc932272169f44a025c2a9/pele_platform-1.0.0.2.tar.gz#sha256=919f487c943e6e71a8d82e56dac3051605ffdc6a680d168b5233cea95c9e4701 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.2 2021-05-19T13:13:52,509 Found link https://files.pythonhosted.org/packages/a3/56/3cc9eb3b0ecf0943c4f4eb5b0729cd54906290f84dc4cfb230ad69ce99c6/pele_platform-1.0.0.3.tar.gz#sha256=ea4f3df0aeb65812e72eb9b24605146a7afeeb7f89ce7f769058c2e894654239 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.3 2021-05-19T13:13:52,510 Found link https://files.pythonhosted.org/packages/d0/6d/1ac79163749b10c7f694dde1db24063d4e2f57bcf365db1b8cfa1b9f7f57/pele_platform-1.1.0.tar.gz#sha256=25a644fc27c0c364bfece9addd278a74a5a7ea5f4ab40b31fa8cd961e7485a65 (from https://pypi.org/simple/pele-platform/), version: 1.1.0 2021-05-19T13:13:52,511 Found link https://files.pythonhosted.org/packages/fd/15/306ea35b1d4be507caf1613d05fc16c076f070c2a16e6283a331695fcb5e/pele_platform-1.2.0.tar.gz#sha256=2967a976bafc47884ca49864ca87d40d87aa50c2fc57900c1f0517e84e789153 (from https://pypi.org/simple/pele-platform/), version: 1.2.0 2021-05-19T13:13:52,512 Found link https://files.pythonhosted.org/packages/74/98/cf2442f668f8ad6be1838c3ce7b87a409eee7448a1d7d033862ad0bda36c/pele_platform-1.2.1.tar.gz#sha256=5d30d563960934362ac79eb7a24b8f4b831076dba29bbb498901a0b0a1dca367 (from https://pypi.org/simple/pele-platform/), version: 1.2.1 2021-05-19T13:13:52,513 Found link 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https://files.pythonhosted.org/packages/7c/b0/4fda3001d5f13010bc2005e335f799f24d2204fc700a847e28091b57fabb/pele_platform-1.3.1.tar.gz#sha256=c6c0ac764ae30ce8a0650cdf0fc686fd733cb6b11fc15e6cccd5659166be3b33 (from https://pypi.org/simple/pele-platform/), version: 1.3.1 2021-05-19T13:13:52,517 Found link https://files.pythonhosted.org/packages/34/21/2f68d91d200432e0feb4662f6ba5538817335d86df60688e3a6f050dd21b/pele_platform-1.3.2.tar.gz#sha256=14c6e236347a1101f5de04bc25a32f302904bdb46326fb151c14e930a28d7a48 (from https://pypi.org/simple/pele-platform/), version: 1.3.2 2021-05-19T13:13:52,518 Found link https://files.pythonhosted.org/packages/63/a6/ad0bc781b4089093fd8aca4d75d237e0c0ae9d1f6b7e4b86a733f5a91b10/pele_platform-1.3.3.tar.gz#sha256=9e9e49d359bde42485b1c2d23b8a80c3de43064a672c260d18b9f10b55ee666e (from https://pypi.org/simple/pele-platform/), version: 1.3.3 2021-05-19T13:13:52,519 Found link https://files.pythonhosted.org/packages/e7/6a/4d8e75e0dbff74b22c76f4640a72798acfe6f55e35dcf0e9080dc8f36857/pele_platform-1.3.4.tar.gz#sha256=b8f7a2caac267df0381e8a3d73ddfeaec60cccc22336aa76178dbf3d2b2e880b (from https://pypi.org/simple/pele-platform/), version: 1.3.4 2021-05-19T13:13:52,520 Found link https://files.pythonhosted.org/packages/d2/7d/8f6c7c977288ed554723c003a885c118889c3bf76ac343961a84d330f85e/pele_platform-1.4.0.tar.gz#sha256=0190af77e0e24482742b634d120ac9b52135716bbbc93929bf688313f63e4a59 (from https://pypi.org/simple/pele-platform/), version: 1.4.0 2021-05-19T13:13:52,521 Found link https://files.pythonhosted.org/packages/ed/11/ff7cdcb7a17869082a94fc4c066a8bc6407a07f7c542c1dbc4919b1e091a/pele_platform-1.4.1.tar.gz#sha256=2f5327616aeff5be40d54b2771fd43b8cdb75086944c11800339bd44e0866c01 (from https://pypi.org/simple/pele-platform/), version: 1.4.1 2021-05-19T13:13:52,522 Found link https://files.pythonhosted.org/packages/4b/4f/fec23d74e8b1474fe25234fd34972a427234307dc9f7908f916e50036d81/pele_platform-1.4.2.tar.gz#sha256=c1092fb5c5cdb38736f621c434ff3112ea1cd1abc94d0bfe03ea7044b6e06612 (from https://pypi.org/simple/pele-platform/), version: 1.4.2 2021-05-19T13:13:52,523 Found link https://files.pythonhosted.org/packages/7a/b3/8eeb8c773a4fbf6561a929b8bab563f31384a0512a4708b4d0249ebc8c24/pele_platform-1.4.3.tar.gz#sha256=e491ac06c05301a846084e07ab709abf4b0507768710256443b6523b25339c40 (from https://pypi.org/simple/pele-platform/), version: 1.4.3 2021-05-19T13:13:52,523 Found link https://files.pythonhosted.org/packages/92/57/ff446766add00995f3fa0446f9c32ad52b759bab05d3f41e5ee51a8e76a8/pele_platform-1.4.4.tar.gz#sha256=eca94d45d76664106cff9915781740932635878b203b430d62f7aeb252ce59c7 (from https://pypi.org/simple/pele-platform/), version: 1.4.4 2021-05-19T13:13:52,524 Found link https://files.pythonhosted.org/packages/6d/f3/5ad1c5dab958edc8ecfb75883f8ac760308e570f3a0929104ba01a223f02/pele_platform-1.5.0.tar.gz#sha256=0b7eed2abd70f20caadcf9e9c8642cfc51d55d66ab114e42f0d425bfb6603323 (from https://pypi.org/simple/pele-platform/), version: 1.5.0 2021-05-19T13:13:52,525 Found link https://files.pythonhosted.org/packages/1c/b0/44dcc5184b218a7481babe8cd5738129741e29422e226308a583a3dd5629/pele_platform-1.5.1.tar.gz#sha256=9e138403c8fb65450d9841db279140f046a8325791af9983e202c9002bf44b93 (from https://pypi.org/simple/pele-platform/), version: 1.5.1 2021-05-19T13:13:52,526 Found link https://files.pythonhosted.org/packages/05/85/4cfdad270ebf569727204cbc9de66f22ef802d5079846f2631e1e6a11059/pele_platform-1.6.0b1.tar.gz#sha256=a7b5e566ec00598a1991d44c8748267104e5a123f462365a584632c94b36a7bf (from https://pypi.org/simple/pele-platform/), version: 1.6.0b1 2021-05-19T13:13:52,527 Found link https://files.pythonhosted.org/packages/c0/d6/f49f102325943cd3a82086e4740dfabd416c278d21ef9f3097fc1bb0ba7a/pele_platform-1.6.0b2.tar.gz#sha256=6bf2be383e50f6654f49f87e44dfc548f2aa1f5f002b25089ae2089ab0a92654 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b2 2021-05-19T13:13:52,528 Found link https://files.pythonhosted.org/packages/f7/16/8db67212a622716e71ea8a9664e4da6207ae136369f2d1b3b802ca39baee/pele_platform-1.6.0b3.tar.gz#sha256=916a0f278c53e5eec786008a498654481c2e76b90b4385e75398872fd28b1f6e (from https://pypi.org/simple/pele-platform/), version: 1.6.0b3 2021-05-19T13:13:52,529 Found link https://files.pythonhosted.org/packages/f3/46/ecebcaed96148f710c2aa716f1a4862033073dfe8c1da1c7283d32b766b4/pele_platform-1.6.0b4.tar.gz#sha256=1e6cdaab94470fa0de99010c2e51ed94e1634b14c9a53206b6f33e838616b361 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b4 2021-05-19T13:13:52,530 Found link https://files.pythonhosted.org/packages/7a/03/3f391e98e553a1cea233c87fe3d33171be5b3851fbf37869ccdfebca58c4/pele_platform-1.6.0b5.tar.gz#sha256=9e98fe723a6e9b2d67e7c95441f23bc98f550d4d824a47614981b39643e4781d (from https://pypi.org/simple/pele-platform/), version: 1.6.0b5 2021-05-19T13:13:52,572 Given no hashes to check 1 links for project 'pele-platform': discarding no candidates 2021-05-19T13:13:52,607 Collecting pele-platform==1.6.0b5 2021-05-19T13:13:52,613 Created temporary directory: /tmp/pip-unpack-6j8sgzoj 2021-05-19T13:13:55,468 Downloading pele_platform-1.6.0b5.tar.gz (10.7 MB) 2021-05-19T13:14:08,128 Added pele-platform==1.6.0b5 from https://files.pythonhosted.org/packages/7a/03/3f391e98e553a1cea233c87fe3d33171be5b3851fbf37869ccdfebca58c4/pele_platform-1.6.0b5.tar.gz#sha256=9e98fe723a6e9b2d67e7c95441f23bc98f550d4d824a47614981b39643e4781d to build tracker '/tmp/pip-req-tracker-__zy7_mf' 2021-05-19T13:14:08,130 Running setup.py (path:/tmp/pip-wheel-l7crjs26/pele-platform_5f69a585d3e049428f2e83d2a83f61b7/setup.py) egg_info for package pele-platform 2021-05-19T13:14:08,132 Created temporary directory: /tmp/pip-pip-egg-info-p_zs61u6 2021-05-19T13:14:08,133 Running command python setup.py egg_info 2021-05-19T13:14:11,228 running egg_info 2021-05-19T13:14:11,235 creating /tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info 2021-05-19T13:14:11,238 writing /tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/PKG-INFO 2021-05-19T13:14:11,244 writing requirements to /tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/requires.txt 2021-05-19T13:14:11,246 writing dependency_links to /tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/dependency_links.txt 2021-05-19T13:14:11,249 writing top-level names to /tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/top_level.txt 2021-05-19T13:14:11,258 writing manifest file '/tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/SOURCES.txt' 2021-05-19T13:14:11,318 reading manifest file '/tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/SOURCES.txt' 2021-05-19T13:14:11,322 reading manifest template 'MANIFEST.in' 2021-05-19T13:14:11,326 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-05-19T13:14:11,327 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-05-19T13:14:11,328 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-05-19T13:14:11,328 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-05-19T13:14:11,998 warning: no files found matching '*' under directory 'tests/data' 2021-05-19T13:14:12,044 writing manifest file '/tmp/pip-pip-egg-info-p_zs61u6/pele_platform.egg-info/SOURCES.txt' 2021-05-19T13:14:12,184 Source in /tmp/pip-wheel-l7crjs26/pele-platform_5f69a585d3e049428f2e83d2a83f61b7 has version 1.6.0b5, which satisfies requirement pele-platform==1.6.0b5 from https://files.pythonhosted.org/packages/7a/03/3f391e98e553a1cea233c87fe3d33171be5b3851fbf37869ccdfebca58c4/pele_platform-1.6.0b5.tar.gz#sha256=9e98fe723a6e9b2d67e7c95441f23bc98f550d4d824a47614981b39643e4781d 2021-05-19T13:14:12,186 Removed pele-platform==1.6.0b5 from https://files.pythonhosted.org/packages/7a/03/3f391e98e553a1cea233c87fe3d33171be5b3851fbf37869ccdfebca58c4/pele_platform-1.6.0b5.tar.gz#sha256=9e98fe723a6e9b2d67e7c95441f23bc98f550d4d824a47614981b39643e4781d from build tracker '/tmp/pip-req-tracker-__zy7_mf' 2021-05-19T13:14:12,196 Created temporary directory: /tmp/pip-unpack-xi5__w7p 2021-05-19T13:14:12,197 Building wheels for collected packages: pele-platform 2021-05-19T13:14:12,206 Created temporary directory: /tmp/pip-wheel-btsrzfxc 2021-05-19T13:14:12,207 Building wheel for pele-platform (setup.py): started 2021-05-19T13:14:12,208 Destination directory: /tmp/pip-wheel-btsrzfxc 2021-05-19T13:14:12,208 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-l7crjs26/pele-platform_5f69a585d3e049428f2e83d2a83f61b7/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-l7crjs26/pele-platform_5f69a585d3e049428f2e83d2a83f61b7/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-btsrzfxc 2021-05-19T13:14:15,216 running bdist_wheel 2021-05-19T13:14:15,229 running build 2021-05-19T13:14:15,230 running build_py 2021-05-19T13:14:15,242 creating build 2021-05-19T13:14:15,243 creating build/lib 2021-05-19T13:14:15,244 creating build/lib/pele_platform 2021-05-19T13:14:15,248 copying pele_platform/__init__.py -> build/lib/pele_platform 2021-05-19T13:14:15,252 copying pele_platform/_version.py -> build/lib/pele_platform 2021-05-19T13:14:15,256 copying pele_platform/main.py -> build/lib/pele_platform 2021-05-19T13:14:15,262 creating build/lib/pele_platform/enzyme_engineering 2021-05-19T13:14:15,264 copying pele_platform/enzyme_engineering/__init__.py -> build/lib/pele_platform/enzyme_engineering 2021-05-19T13:14:15,269 copying pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/lib/pele_platform/enzyme_engineering 2021-05-19T13:14:15,280 creating build/lib/pele_platform/out_in 2021-05-19T13:14:15,284 copying pele_platform/out_in/__init__.py -> build/lib/pele_platform/out_in 2021-05-19T13:14:15,290 copying pele_platform/out_in/main.py -> build/lib/pele_platform/out_in 2021-05-19T13:14:15,299 creating build/lib/pele_platform/PPI 2021-05-19T13:14:15,302 copying pele_platform/PPI/cluster.py -> build/lib/pele_platform/PPI 2021-05-19T13:14:15,309 copying pele_platform/PPI/preparation.py -> build/lib/pele_platform/PPI 2021-05-19T13:14:15,315 copying pele_platform/PPI/__init__.py -> build/lib/pele_platform/PPI 2021-05-19T13:14:15,320 copying pele_platform/PPI/main.py -> build/lib/pele_platform/PPI 2021-05-19T13:14:15,328 copying pele_platform/PPI/simulation_launcher.py -> build/lib/pele_platform/PPI 2021-05-19T13:14:15,336 creating build/lib/pele_platform/gpcr 2021-05-19T13:14:15,338 copying pele_platform/gpcr/__init__.py -> build/lib/pele_platform/gpcr 2021-05-19T13:14:15,345 copying pele_platform/gpcr/main.py -> build/lib/pele_platform/gpcr 2021-05-19T13:14:15,352 creating build/lib/pele_platform/Checker 2021-05-19T13:14:15,355 copying pele_platform/Checker/__init__.py -> build/lib/pele_platform/Checker 2021-05-19T13:14:15,361 copying pele_platform/Checker/environment_variables.py -> build/lib/pele_platform/Checker 2021-05-19T13:14:15,368 copying pele_platform/Checker/main.py -> build/lib/pele_platform/Checker 2021-05-19T13:14:15,375 copying pele_platform/Checker/valid_flags.py -> build/lib/pele_platform/Checker 2021-05-19T13:14:15,382 copying pele_platform/Checker/python_version.py -> build/lib/pele_platform/Checker 2021-05-19T13:14:15,389 copying pele_platform/Checker/executable.py -> build/lib/pele_platform/Checker 2021-05-19T13:14:15,398 creating build/lib/pele_platform/features 2021-05-19T13:14:15,401 copying pele_platform/features/frag.py -> build/lib/pele_platform/features 2021-05-19T13:14:15,408 copying pele_platform/features/__init__.py -> build/lib/pele_platform/features 2021-05-19T13:14:15,414 copying pele_platform/features/adaptive.py -> build/lib/pele_platform/features 2021-05-19T13:14:15,425 creating build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,428 copying pele_platform/Adaptive/metrics.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,435 copying pele_platform/Adaptive/parametrizer.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,446 copying pele_platform/Adaptive/__init__.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,453 copying pele_platform/Adaptive/simulation.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,461 copying pele_platform/Adaptive/interaction_restrictions.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,469 copying pele_platform/Adaptive/pca.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,475 copying pele_platform/Adaptive/box.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,482 copying pele_platform/Adaptive/plop_solvent.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,487 copying pele_platform/Adaptive/plop_ligand_parametrization.py -> build/lib/pele_platform/Adaptive 2021-05-19T13:14:15,496 creating build/lib/pele_platform/site_finder 2021-05-19T13:14:15,499 copying pele_platform/site_finder/__init__.py -> build/lib/pele_platform/site_finder 2021-05-19T13:14:15,505 copying pele_platform/site_finder/main.py -> build/lib/pele_platform/site_finder 2021-05-19T13:14:15,515 creating build/lib/pele_platform/RNA 2021-05-19T13:14:15,518 copying pele_platform/RNA/__init__.py -> build/lib/pele_platform/RNA 2021-05-19T13:14:15,523 copying pele_platform/RNA/prep.py -> build/lib/pele_platform/RNA 2021-05-19T13:14:15,531 creating build/lib/pele_platform/Errors 2021-05-19T13:14:15,534 copying pele_platform/Errors/__init__.py -> build/lib/pele_platform/Errors 2021-05-19T13:14:15,539 copying pele_platform/Errors/custom_errors.py -> build/lib/pele_platform/Errors 2021-05-19T13:14:15,548 creating build/lib/pele_platform/analysis 2021-05-19T13:14:15,552 copying pele_platform/analysis/clustering.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,559 copying pele_platform/analysis/__init__.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,564 copying pele_platform/analysis/analysis.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,577 copying pele_platform/analysis/pdf_report.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,584 copying pele_platform/analysis/plot.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,593 copying pele_platform/analysis/to_mae.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,604 copying pele_platform/analysis/interactive_plot.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,613 copying pele_platform/analysis/data.py -> build/lib/pele_platform/analysis 2021-05-19T13:14:15,627 creating build/lib/pele_platform/Frag 2021-05-19T13:14:15,630 copying pele_platform/Frag/checker.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,637 copying pele_platform/Frag/generative_model.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,643 copying pele_platform/Frag/libraries.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,650 copying pele_platform/Frag/__init__.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,656 copying pele_platform/Frag/helpers.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,664 copying pele_platform/Frag/fragments.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,669 copying pele_platform/Frag/analysis.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,677 copying pele_platform/Frag/simulation.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,685 copying pele_platform/Frag/atoms.py -> build/lib/pele_platform/Frag 2021-05-19T13:14:15,693 creating build/lib/pele_platform/Utilities 2021-05-19T13:14:15,697 copying pele_platform/Utilities/__init__.py -> build/lib/pele_platform/Utilities 2021-05-19T13:14:15,707 creating build/lib/pele_platform/constants 2021-05-19T13:14:15,710 copying pele_platform/constants/constants.py -> build/lib/pele_platform/constants 2021-05-19T13:14:15,718 copying pele_platform/constants/__init__.py -> build/lib/pele_platform/constants 2021-05-19T13:14:15,724 copying pele_platform/constants/pele_params.py -> build/lib/pele_platform/constants 2021-05-19T13:14:15,735 creating build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,738 copying pele_platform/Frag/parameters/metrics.py -> build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,745 copying pele_platform/Frag/parameters/__init__.py -> build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,750 copying pele_platform/Frag/parameters/simulation.py -> build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,754 copying pele_platform/Frag/parameters/optional.py -> build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,762 copying pele_platform/Frag/parameters/files.py -> build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,769 copying pele_platform/Frag/parameters/water.py -> build/lib/pele_platform/Frag/parameters 2021-05-19T13:14:15,778 creating build/lib/pele_platform/Utilities/Parameters 2021-05-19T13:14:15,782 copying pele_platform/Utilities/Parameters/parameters.py -> build/lib/pele_platform/Utilities/Parameters 2021-05-19T13:14:15,791 copying pele_platform/Utilities/Parameters/__init__.py -> build/lib/pele_platform/Utilities/Parameters 2021-05-19T13:14:15,805 creating build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,808 copying pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,817 copying pele_platform/Utilities/Helpers/template_builder.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,821 copying pele_platform/Utilities/Helpers/conda_deployment.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,826 copying pele_platform/Utilities/Helpers/launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,831 copying pele_platform/Utilities/Helpers/missing_residues.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,836 copying pele_platform/Utilities/Helpers/__init__.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,842 copying pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,851 copying pele_platform/Utilities/Helpers/helpers.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,859 copying pele_platform/Utilities/Helpers/interaction_constraints.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,863 copying pele_platform/Utilities/Helpers/bestStructs.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,870 copying pele_platform/Utilities/Helpers/plop_launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,876 copying pele_platform/Utilities/Helpers/map_atoms.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,883 copying pele_platform/Utilities/Helpers/center_of_mass.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,891 copying pele_platform/Utilities/Helpers/simulation.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,899 copying pele_platform/Utilities/Helpers/yaml_parser.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,909 copying pele_platform/Utilities/Helpers/randomize.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,919 copying pele_platform/Utilities/Helpers/protein_wizard.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,927 copying pele_platform/Utilities/Helpers/system_prep.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,935 copying pele_platform/Utilities/Helpers/water.py -> build/lib/pele_platform/Utilities/Helpers 2021-05-19T13:14:15,945 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-05-19T13:14:15,949 copying pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-05-19T13:14:15,959 copying pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-05-19T13:14:15,965 creating build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-05-19T13:14:15,967 copying pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-05-19T13:14:15,971 copying pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-05-19T13:14:15,978 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-05-19T13:14:15,980 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-05-19T13:14:15,986 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-05-19T13:14:15,994 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-05-19T13:14:15,997 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-05-19T13:14:16,003 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-05-19T13:14:16,008 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-05-19T13:14:16,011 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-05-19T13:14:16,016 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-05-19T13:14:16,022 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-05-19T13:14:16,025 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-05-19T13:14:16,032 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-05-19T13:14:16,040 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-05-19T13:14:16,042 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-05-19T13:14:16,049 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-05-19T13:14:16,055 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-05-19T13:14:16,058 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-05-19T13:14:16,064 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-05-19T13:14:16,072 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-05-19T13:14:16,075 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-05-19T13:14:16,081 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-05-19T13:14:16,088 creating build/lib/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:16,090 copying pele_platform/Utilities/Helpers/Metals/__init__.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:16,094 copying pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:16,099 copying pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:16,107 creating build/lib/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:16,111 copying pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:16,120 copying pele_platform/Utilities/Helpers/constraints/__init__.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:16,126 copying pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:16,133 running egg_info 2021-05-19T13:14:16,159 writing requirements to pele_platform.egg-info/requires.txt 2021-05-19T13:14:16,162 writing dependency_links to pele_platform.egg-info/dependency_links.txt 2021-05-19T13:14:16,166 writing pele_platform.egg-info/PKG-INFO 2021-05-19T13:14:16,172 writing top-level names to pele_platform.egg-info/top_level.txt 2021-05-19T13:14:16,218 reading manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-05-19T13:14:16,245 reading manifest template 'MANIFEST.in' 2021-05-19T13:14:16,248 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-05-19T13:14:16,249 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-05-19T13:14:16,249 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-05-19T13:14:16,250 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-05-19T13:14:16,867 warning: no files found matching '*' under directory 'tests/data' 2021-05-19T13:14:16,937 writing manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-05-19T13:14:17,044 creating build/lib/pele_platform/Examples 2021-05-19T13:14:17,047 copying pele_platform/Examples/test.sl -> build/lib/pele_platform/Examples 2021-05-19T13:14:17,055 creating build/lib/pele_platform/Examples/Adaptive 2021-05-19T13:14:17,058 copying pele_platform/Examples/Adaptive/STR.rot.assign -> build/lib/pele_platform/Examples/Adaptive 2021-05-19T13:14:17,064 copying pele_platform/Examples/Adaptive/adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-05-19T13:14:17,070 copying pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-05-19T13:14:17,077 copying pele_platform/Examples/Adaptive/strz -> build/lib/pele_platform/Examples/Adaptive 2021-05-19T13:14:17,088 copying pele_platform/Examples/Adaptive/test.sl -> build/lib/pele_platform/Examples/Adaptive 2021-05-19T13:14:17,093 creating build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,096 copying pele_platform/Examples/Msm/AS4_INIT.mae -> build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,106 copying pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,146 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,186 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,227 copying pele_platform/Examples/Msm/PR_AS4.pdb -> build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,269 copying pele_platform/Examples/Msm/input.yaml -> build/lib/pele_platform/Examples/Msm 2021-05-19T13:14:17,276 creating build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,279 copying pele_platform/Examples/PPI/1f47_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,289 copying pele_platform/Examples/PPI/1f47_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,316 copying pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,327 copying pele_platform/Examples/PPI/1tnf_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,389 copying pele_platform/Examples/PPI/input.yaml -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,395 copying pele_platform/Examples/PPI/input_folder.yaml -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,400 copying pele_platform/Examples/PPI/input_skipref.yaml -> build/lib/pele_platform/Examples/PPI 2021-05-19T13:14:17,405 creating build/lib/pele_platform/Examples/RNA 2021-05-19T13:14:17,408 copying pele_platform/Examples/RNA/2l94.yaml -> build/lib/pele_platform/Examples/RNA 2021-05-19T13:14:17,417 copying pele_platform/Examples/RNA/5C45_prep.pdb -> build/lib/pele_platform/Examples/RNA 2021-05-19T13:14:17,465 copying pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/lib/pele_platform/Examples/RNA 2021-05-19T13:14:17,512 copying pele_platform/Examples/RNA/input.yaml -> build/lib/pele_platform/Examples/RNA 2021-05-19T13:14:17,518 copying pele_platform/Examples/RNA/input_induced.yaml -> build/lib/pele_platform/Examples/RNA 2021-05-19T13:14:17,525 creating build/lib/pele_platform/Examples/analysis 2021-05-19T13:14:17,527 copying pele_platform/Examples/analysis/input.yaml -> build/lib/pele_platform/Examples/analysis 2021-05-19T13:14:17,536 copying pele_platform/Examples/analysis/input_flags.yaml -> build/lib/pele_platform/Examples/analysis 2021-05-19T13:14:17,545 copying pele_platform/Examples/analysis/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis 2021-05-19T13:14:17,552 copying pele_platform/Examples/analysis/input_xtc.yaml -> build/lib/pele_platform/Examples/analysis 2021-05-19T13:14:17,560 creating build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,562 copying pele_platform/Examples/analysis/data/MG.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,570 copying pele_platform/Examples/analysis/data/STR.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,577 copying pele_platform/Examples/analysis/data/adaptive.conf -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,585 copying pele_platform/Examples/analysis/data/input.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,592 copying pele_platform/Examples/analysis/data/input_flags.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,600 copying pele_platform/Examples/analysis/data/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,608 copying pele_platform/Examples/analysis/data/input_mae.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,616 copying pele_platform/Examples/analysis/data/mgz -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,622 copying pele_platform/Examples/analysis/data/pele.conf -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,630 copying pele_platform/Examples/analysis/data/strz -> build/lib/pele_platform/Examples/analysis/data 2021-05-19T13:14:17,636 creating build/lib/pele_platform/Examples/analysis/data/empty_reports_output 2021-05-19T13:14:17,638 creating build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:17,643 copying pele_platform/Examples/analysis/data/empty_reports_output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:17,652 copying pele_platform/Examples/analysis/data/empty_reports_output/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:17,659 copying pele_platform/Examples/analysis/data/empty_reports_output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:17,667 copying pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:17,713 copying pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:17,828 creating build/lib/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:17,830 copying pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:17,871 copying pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:17,910 copying pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:17,949 creating build/lib/pele_platform/Examples/analysis/data/output 2021-05-19T13:14:17,952 copying pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/lib/pele_platform/Examples/analysis/data/output 2021-05-19T13:14:17,960 creating build/lib/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:17,963 copying pele_platform/Examples/analysis/data/output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:17,971 copying pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:17,979 copying pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:18,020 creating build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-05-19T13:14:18,024 copying pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-05-19T13:14:18,066 copying pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-05-19T13:14:18,074 creating build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-05-19T13:14:18,077 copying pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-05-19T13:14:18,086 creating build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-05-19T13:14:18,090 copying pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-05-19T13:14:18,129 copying pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-05-19T13:14:18,170 creating build/lib/pele_platform/Examples/analysis/data/xtc 2021-05-19T13:14:18,175 copying pele_platform/Examples/analysis/data/xtc/summary.csv -> build/lib/pele_platform/Examples/analysis/data/xtc 2021-05-19T13:14:18,183 creating build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:18,186 copying pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:18,194 copying pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:18,202 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:18,211 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:18,220 creating build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-05-19T13:14:18,224 copying pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-05-19T13:14:18,242 creating build/lib/pele_platform/Examples/bias 2021-05-19T13:14:18,245 copying pele_platform/Examples/bias/complex.pdb -> build/lib/pele_platform/Examples/bias 2021-05-19T13:14:18,284 copying pele_platform/Examples/bias/input_defaults.yaml -> build/lib/pele_platform/Examples/bias 2021-05-19T13:14:18,291 creating build/lib/pele_platform/Examples/box 2021-05-19T13:14:18,294 copying pele_platform/Examples/box/input.yaml -> build/lib/pele_platform/Examples/box 2021-05-19T13:14:18,302 creating build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,305 copying pele_platform/Examples/checker/complex.pdb -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,354 copying pele_platform/Examples/checker/complex2.pdb -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,382 copying pele_platform/Examples/checker/complex_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,450 copying pele_platform/Examples/checker/input.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,457 copying pele_platform/Examples/checker/input_atom_string.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,465 copying pele_platform/Examples/checker/input_env.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,474 copying pele_platform/Examples/checker/input_map_atom_num.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,484 copying pele_platform/Examples/checker/input_map_atom_str.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,490 copying pele_platform/Examples/checker/input_pele_exec.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,496 copying pele_platform/Examples/checker/input_rotamer.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,503 copying pele_platform/Examples/checker/input_space.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,511 copying pele_platform/Examples/checker/input_tab.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,518 copying pele_platform/Examples/checker/input_template.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,526 copying pele_platform/Examples/checker/input_underscore.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,533 copying pele_platform/Examples/checker/input_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,540 copying pele_platform/Examples/checker/ligand2.pdb -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,549 copying pele_platform/Examples/checker/mapping_complex.pdb -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,619 copying pele_platform/Examples/checker/multiple_simulations.yaml -> build/lib/pele_platform/Examples/checker 2021-05-19T13:14:18,626 creating build/lib/pele_platform/Examples/clustering 2021-05-19T13:14:18,630 copying pele_platform/Examples/clustering/summary.csv -> build/lib/pele_platform/Examples/clustering 2021-05-19T13:14:18,638 creating build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,641 copying pele_platform/Examples/clustering/0/report_1 -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,648 copying pele_platform/Examples/clustering/0/report_2 -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,654 copying pele_platform/Examples/clustering/0/report_3 -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,662 copying pele_platform/Examples/clustering/0/report_4 -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,668 copying pele_platform/Examples/clustering/0/topologyMapping.txt -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,675 copying pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,746 copying pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,786 copying pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,855 copying pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-05-19T13:14:18,926 creating build/lib/pele_platform/Examples/clustering/0/clustering 2021-05-19T13:14:18,928 copying pele_platform/Examples/clustering/0/clustering/object.pkl -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-05-19T13:14:19,153 copying pele_platform/Examples/clustering/0/clustering/summary.txt -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-05-19T13:14:19,160 creating build/lib/pele_platform/Examples/clustering_xtc 2021-05-19T13:14:19,162 copying pele_platform/Examples/clustering_xtc/water_clustering.yaml -> build/lib/pele_platform/Examples/clustering_xtc 2021-05-19T13:14:19,170 creating build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,173 copying pele_platform/Examples/clustering_xtc/0/report_1 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,179 copying pele_platform/Examples/clustering_xtc/0/report_2 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,190 copying pele_platform/Examples/clustering_xtc/0/report_3 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,197 copying pele_platform/Examples/clustering_xtc/0/report_4 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,205 copying pele_platform/Examples/clustering_xtc/0/topology.pdb -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,246 copying pele_platform/Examples/clustering_xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,257 copying pele_platform/Examples/clustering_xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,267 copying pele_platform/Examples/clustering_xtc/0/trajectory_3.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,279 copying pele_platform/Examples/clustering_xtc/0/trajectory_4.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:19,290 creating build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,293 copying pele_platform/Examples/constraints/1zop.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,323 copying pele_platform/Examples/constraints/4l3a_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,375 copying pele_platform/Examples/constraints/4qnr_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,429 copying pele_platform/Examples/constraints/4w4o_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,465 copying pele_platform/Examples/constraints/4w5i_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,501 copying pele_platform/Examples/constraints/4zu9_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,617 copying pele_platform/Examples/constraints/ca_constraints.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,687 copying pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,728 copying pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,734 copying pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,740 copying pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,748 copying pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,756 copying pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,763 copying pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,772 copying pele_platform/Examples/constraints/input_external_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,780 copying pele_platform/Examples/constraints/input_ignore.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,787 copying pele_platform/Examples/constraints/input_k.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,794 copying pele_platform/Examples/constraints/input_metals.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,800 copying pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,805 copying pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,810 copying pele_platform/Examples/constraints/input_smiles_error.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,816 copying pele_platform/Examples/constraints/input_square_planar.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,822 copying pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,829 copying pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,836 copying pele_platform/Examples/constraints/no_connects.pdb -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,842 copying pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-05-19T13:14:19,847 creating build/lib/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:19,849 copying pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:19,855 copying pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:19,860 copying pele_platform/Examples/enzyme_engineering/wrong_cpus.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:19,867 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-05-19T13:14:19,872 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-05-19T13:14:19,879 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:19,882 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/ANL.mae -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:19,892 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/adaptive.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:19,899 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/pele.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:19,909 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:19,917 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-05-19T13:14:19,919 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-05-19T13:14:19,922 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs/ANL.rot.assign -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-05-19T13:14:19,929 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-05-19T13:14:19,931 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-05-19T13:14:19,933 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:19,939 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms/anlz -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:19,949 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:19,953 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:20,019 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:20,086 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:20,152 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:20,217 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/ligand.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:20,226 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/receptor.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:20,290 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-05-19T13:14:20,295 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/originalControlFile.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-05-19T13:14:20,304 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-05-19T13:14:20,309 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-05-19T13:14:20,315 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-05-19T13:14:20,320 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-05-19T13:14:20,327 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-05-19T13:14:20,336 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:20,340 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_1 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:20,349 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_3 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:20,356 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:20,473 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_3.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:20,594 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:20,597 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_2 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:20,604 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_4 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:20,612 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_2.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:20,731 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_4.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:20,850 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-05-19T13:14:20,853 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-05-19T13:14:20,861 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:20,865 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:20,977 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:21,044 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:21,108 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:21,110 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/controlFile0.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:21,118 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_0.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:21,179 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:21,244 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:21,247 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/ANL.mae -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:21,256 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/adaptive.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:21,264 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/pele.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:21,274 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:21,282 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:21,285 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:21,351 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:21,417 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/ligand.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:21,426 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/receptor.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:21,492 creating build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:21,497 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:21,564 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:21,628 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:21,692 creating build/lib/pele_platform/Examples/exit 2021-05-19T13:14:21,696 copying pele_platform/Examples/exit/input.yaml -> build/lib/pele_platform/Examples/exit 2021-05-19T13:14:21,706 copying pele_platform/Examples/exit/input_defaults.yaml -> build/lib/pele_platform/Examples/exit 2021-05-19T13:14:21,714 creating build/lib/pele_platform/Examples/exit_soft 2021-05-19T13:14:21,718 copying pele_platform/Examples/exit_soft/input.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-05-19T13:14:21,727 copying pele_platform/Examples/exit_soft/input_defaults.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-05-19T13:14:21,735 creating build/lib/pele_platform/Examples/flags 2021-05-19T13:14:21,739 copying pele_platform/Examples/flags/input.yaml -> build/lib/pele_platform/Examples/flags 2021-05-19T13:14:21,748 creating build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,753 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,808 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,863 copying pele_platform/Examples/frag/amino.pdb -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,872 copying pele_platform/Examples/frag/core.pdb -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,882 copying pele_platform/Examples/frag/flags.conf -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,891 copying pele_platform/Examples/frag/input_ai.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,897 copying pele_platform/Examples/frag/input_core.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,903 copying pele_platform/Examples/frag/input_core_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,912 copying pele_platform/Examples/frag/input_flags.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,921 copying pele_platform/Examples/frag/input_lib_pdb.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,929 copying pele_platform/Examples/frag/input_lib_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,935 copying pele_platform/Examples/frag/input_point_analysis.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,940 copying pele_platform/Examples/frag/input_sim.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,947 copying pele_platform/Examples/frag/input_symmetry.yaml -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,955 copying pele_platform/Examples/frag/ligands.sdf -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,961 copying pele_platform/Examples/frag/sequential.conf -> build/lib/pele_platform/Examples/frag 2021-05-19T13:14:21,969 creating build/lib/pele_platform/Examples/frag/analysis_data 2021-05-19T13:14:21,970 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-05-19T13:14:21,972 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-05-19T13:14:21,976 copying pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_1.1_BindingEnergy-23.4636.pdb -> build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-05-19T13:14:22,029 copying pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_2.1_BindingEnergy-25.1634.pdb -> build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-05-19T13:14:22,081 creating build/lib/pele_platform/Examples/frag/checker 2021-05-19T13:14:22,083 copying pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/checker 2021-05-19T13:14:22,091 copying pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-05-19T13:14:22,101 copying pele_platform/Examples/frag/checker/receptor.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-05-19T13:14:22,135 creating build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-05-19T13:14:22,140 copying pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-05-19T13:14:22,150 copying pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-05-19T13:14:22,158 creating build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,161 copying pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,177 copying pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,233 copying pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,287 copying pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,301 copying pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,343 copying pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,365 copying pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,375 copying pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,382 copying pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,395 copying pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,403 copying pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,416 copying pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,422 copying pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,434 copying pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,446 copying pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,454 copying pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:22,537 creating build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-05-19T13:14:22,539 copying pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-05-19T13:14:22,548 creating build/lib/pele_platform/Examples/global 2021-05-19T13:14:22,551 copying pele_platform/Examples/global/input.yaml -> build/lib/pele_platform/Examples/global 2021-05-19T13:14:22,560 copying pele_platform/Examples/global/input_defaults.yaml -> build/lib/pele_platform/Examples/global 2021-05-19T13:14:22,569 copying pele_platform/Examples/global/input_inputs.yaml -> build/lib/pele_platform/Examples/global 2021-05-19T13:14:22,576 copying pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/lib/pele_platform/Examples/global 2021-05-19T13:14:22,583 creating build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,586 copying pele_platform/Examples/gpcr/complex.pdb -> build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,637 copying pele_platform/Examples/gpcr/complex_processed.pdb -> build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,683 copying pele_platform/Examples/gpcr/input.yaml -> build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,690 copying pele_platform/Examples/gpcr/input_atom_error.yaml -> build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,698 copying pele_platform/Examples/gpcr/input_defaults.yaml -> build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,705 copying pele_platform/Examples/gpcr/input_defaults2.yaml -> build/lib/pele_platform/Examples/gpcr 2021-05-19T13:14:22,712 creating build/lib/pele_platform/Examples/induced_fit 2021-05-19T13:14:22,716 copying pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-05-19T13:14:22,725 copying pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-05-19T13:14:22,732 copying pele_platform/Examples/induced_fit/input_fast.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-05-19T13:14:22,739 copying pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-05-19T13:14:22,749 copying pele_platform/Examples/induced_fit/input_mae.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-05-19T13:14:22,757 creating build/lib/pele_platform/Examples/inputs 2021-05-19T13:14:22,760 copying pele_platform/Examples/inputs/input.yaml -> build/lib/pele_platform/Examples/inputs 2021-05-19T13:14:22,768 copying pele_platform/Examples/inputs/mn4.sl -> build/lib/pele_platform/Examples/inputs 2021-05-19T13:14:22,778 copying pele_platform/Examples/inputs/nord3.sge -> build/lib/pele_platform/Examples/inputs 2021-05-19T13:14:22,786 creating build/lib/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:22,789 copying pele_platform/Examples/interaction_restrictions/complex.pdb -> build/lib/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:22,857 copying pele_platform/Examples/interaction_restrictions/input.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:22,865 copying pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:22,873 copying pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:22,879 creating build/lib/pele_platform/Examples/interaction_restrictions/out 2021-05-19T13:14:22,883 copying pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-05-19T13:14:22,891 copying pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-05-19T13:14:22,899 creating build/lib/pele_platform/Examples/out_in 2021-05-19T13:14:22,903 copying pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/lib/pele_platform/Examples/out_in 2021-05-19T13:14:22,945 copying pele_platform/Examples/out_in/input.yaml -> build/lib/pele_platform/Examples/out_in 2021-05-19T13:14:22,951 copying pele_platform/Examples/out_in/input_box_center.yaml -> build/lib/pele_platform/Examples/out_in 2021-05-19T13:14:22,956 copying pele_platform/Examples/out_in/input_default.yaml -> build/lib/pele_platform/Examples/out_in 2021-05-19T13:14:22,963 copying pele_platform/Examples/out_in/input_flag_error.yaml -> build/lib/pele_platform/Examples/out_in 2021-05-19T13:14:22,970 creating build/lib/pele_platform/Examples/pca 2021-05-19T13:14:22,973 copying pele_platform/Examples/pca/1.pdb -> build/lib/pele_platform/Examples/pca 2021-05-19T13:14:23,017 copying pele_platform/Examples/pca/2.pdb -> build/lib/pele_platform/Examples/pca 2021-05-19T13:14:23,062 copying pele_platform/Examples/pca/3.pdb -> build/lib/pele_platform/Examples/pca 2021-05-19T13:14:23,107 copying pele_platform/Examples/pca/input.yaml -> build/lib/pele_platform/Examples/pca 2021-05-19T13:14:23,116 copying pele_platform/Examples/pca/input_str.yaml -> build/lib/pele_platform/Examples/pca 2021-05-19T13:14:23,123 creating build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,127 copying pele_platform/Examples/preparation/6qmk_correct.pdb -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,177 copying pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,235 copying pele_platform/Examples/preparation/complex.pdb -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,280 copying pele_platform/Examples/preparation/complex_2.pdb -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,340 copying pele_platform/Examples/preparation/input.yaml -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,347 copying pele_platform/Examples/preparation/input_nonstandard.yaml -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,356 copying pele_platform/Examples/preparation/input_space.yaml -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,364 copying pele_platform/Examples/preparation/parametrization_flags.yaml -> build/lib/pele_platform/Examples/preparation 2021-05-19T13:14:23,372 creating build/lib/pele_platform/Examples/production 2021-05-19T13:14:23,375 copying pele_platform/Examples/production/input.sl -> build/lib/pele_platform/Examples/production 2021-05-19T13:14:23,383 copying pele_platform/Examples/production/input_mae.yaml -> build/lib/pele_platform/Examples/production 2021-05-19T13:14:23,391 creating build/lib/pele_platform/Examples/rescoring 2021-05-19T13:14:23,394 copying pele_platform/Examples/rescoring/input.yaml -> build/lib/pele_platform/Examples/rescoring 2021-05-19T13:14:23,403 copying pele_platform/Examples/rescoring/input_defaults.yaml -> build/lib/pele_platform/Examples/rescoring 2021-05-19T13:14:23,410 creating build/lib/pele_platform/Examples/restart 2021-05-19T13:14:23,413 copying pele_platform/Examples/restart/input.yaml -> build/lib/pele_platform/Examples/restart 2021-05-19T13:14:23,422 copying pele_platform/Examples/restart/restart.yaml -> build/lib/pele_platform/Examples/restart 2021-05-19T13:14:23,428 creating build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,432 copying pele_platform/Examples/restart/STR_Pele/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,473 copying pele_platform/Examples/restart/STR_Pele/STR.mae -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,483 copying pele_platform/Examples/restart/STR_Pele/adaptive.conf -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,493 copying pele_platform/Examples/restart/STR_Pele/input.yaml -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,500 copying pele_platform/Examples/restart/STR_Pele/ligand.pdb -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,510 copying pele_platform/Examples/restart/STR_Pele/pele.conf -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,518 copying pele_platform/Examples/restart/STR_Pele/receptor.pdb -> build/lib/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:23,558 creating build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal 2021-05-19T13:14:23,560 creating build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/LigandRotamerLibs 2021-05-19T13:14:23,564 copying pele_platform/Examples/restart/STR_Pele/DataLocal/LigandRotamerLibs/STR.rot.assign -> build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/LigandRotamerLibs 2021-05-19T13:14:23,572 creating build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates 2021-05-19T13:14:23,573 creating build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005 2021-05-19T13:14:23,575 creating build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:23,581 copying pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005/HeteroAtoms/strz -> build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:23,594 creating build/lib/pele_platform/Examples/singularity 2021-05-19T13:14:23,597 copying pele_platform/Examples/singularity/input_adaptive.yaml -> build/lib/pele_platform/Examples/singularity 2021-05-19T13:14:23,607 copying pele_platform/Examples/singularity/input_frag.yaml -> build/lib/pele_platform/Examples/singularity 2021-05-19T13:14:23,614 creating build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,617 copying pele_platform/Examples/site_finder/complex.pdb -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,667 copying pele_platform/Examples/site_finder/global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,674 copying pele_platform/Examples/site_finder/input_folder.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,682 copying pele_platform/Examples/site_finder/input_global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,689 copying pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,696 copying pele_platform/Examples/site_finder/input_restart.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,704 copying pele_platform/Examples/site_finder/input_skipref.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,712 copying pele_platform/Examples/site_finder/local.yaml -> build/lib/pele_platform/Examples/site_finder 2021-05-19T13:14:23,718 creating build/lib/pele_platform/Examples/tutorials 2021-05-19T13:14:23,720 creating build/lib/pele_platform/Examples/tutorials/gpcr 2021-05-19T13:14:23,724 copying pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-05-19T13:14:23,769 copying pele_platform/Examples/tutorials/gpcr/input.yaml -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-05-19T13:14:23,776 creating build/lib/pele_platform/Examples/tutorials/induced_fit 2021-05-19T13:14:23,779 copying pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-05-19T13:14:23,847 copying pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-05-19T13:14:23,852 creating build/lib/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:23,855 copying pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:23,863 copying pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:23,888 copying pele_platform/Examples/tutorials/ppi/input.yaml -> build/lib/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:23,895 creating build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,897 copying pele_platform/Examples/water/complex_induced.pdb -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,918 copying pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,969 copying pele_platform/Examples/water/input_all.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,976 copying pele_platform/Examples/water/input_bs.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,984 copying pele_platform/Examples/water/input_bs_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,992 copying pele_platform/Examples/water/input_induced.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:23,999 copying pele_platform/Examples/water/input_lig.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,007 copying pele_platform/Examples/water/input_lig_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,015 copying pele_platform/Examples/water/input_nwaters.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,024 copying pele_platform/Examples/water/input_previous_water.yaml -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,032 copying pele_platform/Examples/water/water2_pele.conf -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,041 copying pele_platform/Examples/water/water_pele.conf -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,050 copying pele_platform/Examples/water/water_processed.pdb -> build/lib/pele_platform/Examples/water 2021-05-19T13:14:24,103 creating build/lib/pele_platform/Templates 2021-05-19T13:14:24,106 copying pele_platform/Templates/pele_template.conf -> build/lib/pele_platform/Templates 2021-05-19T13:14:24,115 copying pele_platform/Templates/solventParamsHCTOBC.txt -> build/lib/pele_platform/Templates 2021-05-19T13:14:24,129 copying pele_platform/Templates/template_adaptive.conf -> build/lib/pele_platform/Templates 2021-05-19T13:14:24,181 UPDATING build/lib/pele_platform/_version.py 2021-05-19T13:14:24,184 set build/lib/pele_platform/_version.py to '1.6.0b5' 2021-05-19T13:14:24,191 installing to build/bdist.linux-armv7l/wheel 2021-05-19T13:14:24,192 running install 2021-05-19T13:14:24,194 running install_lib 2021-05-19T13:14:24,203 creating build/bdist.linux-armv7l 2021-05-19T13:14:24,204 creating build/bdist.linux-armv7l/wheel 2021-05-19T13:14:24,208 creating build/bdist.linux-armv7l/wheel/pele_platform 2021-05-19T13:14:24,212 creating build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-05-19T13:14:24,214 copying build/lib/pele_platform/Templates/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-05-19T13:14:24,226 copying build/lib/pele_platform/Templates/template_adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-05-19T13:14:24,232 copying build/lib/pele_platform/Templates/pele_template.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-05-19T13:14:24,241 creating build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-05-19T13:14:24,243 copying build/lib/pele_platform/enzyme_engineering/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-05-19T13:14:24,249 copying build/lib/pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-05-19T13:14:24,259 creating build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-05-19T13:14:24,262 copying build/lib/pele_platform/out_in/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-05-19T13:14:24,267 copying build/lib/pele_platform/out_in/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-05-19T13:14:24,276 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-05-19T13:14:24,281 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-05-19T13:14:24,284 copying build/lib/pele_platform/Examples/production/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-05-19T13:14:24,290 copying build/lib/pele_platform/Examples/production/input.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-05-19T13:14:24,298 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-05-19T13:14:24,301 copying build/lib/pele_platform/Examples/exit_soft/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-05-19T13:14:24,307 copying build/lib/pele_platform/Examples/exit_soft/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-05-19T13:14:24,314 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-05-19T13:14:24,317 copying build/lib/pele_platform/Examples/box/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-05-19T13:14:24,326 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-05-19T13:14:24,331 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,336 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-05-19T13:14:24,340 copying build/lib/pele_platform/Examples/clustering/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-05-19T13:14:24,346 copying build/lib/pele_platform/Examples/clustering/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-05-19T13:14:24,580 copying build/lib/pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,649 copying build/lib/pele_platform/Examples/clustering/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,655 copying build/lib/pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,726 copying build/lib/pele_platform/Examples/clustering/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,731 copying build/lib/pele_platform/Examples/clustering/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,739 copying build/lib/pele_platform/Examples/clustering/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,747 copying build/lib/pele_platform/Examples/clustering/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,755 copying build/lib/pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,827 copying build/lib/pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-05-19T13:14:24,864 copying build/lib/pele_platform/Examples/clustering/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-05-19T13:14:24,871 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-05-19T13:14:24,874 copying build/lib/pele_platform/Examples/rescoring/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-05-19T13:14:24,881 copying build/lib/pele_platform/Examples/rescoring/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-05-19T13:14:24,891 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:24,894 copying build/lib/pele_platform/Examples/preparation/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:24,902 copying build/lib/pele_platform/Examples/preparation/6qmk_correct.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:24,951 copying build/lib/pele_platform/Examples/preparation/parametrization_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:24,959 copying build/lib/pele_platform/Examples/preparation/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:24,967 copying build/lib/pele_platform/Examples/preparation/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:25,008 copying build/lib/pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:25,066 copying build/lib/pele_platform/Examples/preparation/complex_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:25,127 copying build/lib/pele_platform/Examples/preparation/input_nonstandard.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-05-19T13:14:25,136 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-05-19T13:14:25,139 copying build/lib/pele_platform/Examples/singularity/input_frag.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-05-19T13:14:25,144 copying build/lib/pele_platform/Examples/singularity/input_adaptive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-05-19T13:14:25,151 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-05-19T13:14:25,153 copying build/lib/pele_platform/Examples/inputs/nord3.sge -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-05-19T13:14:25,159 copying build/lib/pele_platform/Examples/inputs/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-05-19T13:14:25,165 copying build/lib/pele_platform/Examples/inputs/mn4.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-05-19T13:14:25,173 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:25,177 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-05-19T13:14:25,183 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:25,188 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-05-19T13:14:25,192 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:25,195 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:25,310 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:25,428 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:25,434 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-05-19T13:14:25,441 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:25,444 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:25,553 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:25,613 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-05-19T13:14:25,678 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-05-19T13:14:25,681 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-05-19T13:14:25,687 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-05-19T13:14:25,695 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:25,697 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:25,705 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:25,711 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:25,830 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-05-19T13:14:25,952 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-05-19T13:14:25,958 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-05-19T13:14:25,961 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-05-19T13:14:25,968 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-05-19T13:14:25,974 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-05-19T13:14:25,979 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:25,986 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:25,993 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:25,996 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:26,066 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:26,072 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:26,136 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:26,198 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:26,260 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-05-19T13:14:26,325 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/ANL.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:26,331 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-05-19T13:14:26,337 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-05-19T13:14:26,340 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-05-19T13:14:26,344 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-05-19T13:14:26,347 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:26,350 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms/anlz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:26,362 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-05-19T13:14:26,365 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs/ANL.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-05-19T13:14:26,374 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:26,378 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:26,441 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/controlFile0.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:26,449 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-05-19T13:14:26,516 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-05-19T13:14:26,526 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:26,529 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:26,537 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:26,545 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:26,548 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:26,612 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:26,618 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:26,682 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-05-19T13:14:26,745 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/ANL.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:26,750 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-05-19T13:14:26,756 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:26,759 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:26,823 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:26,888 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-05-19T13:14:26,952 copying build/lib/pele_platform/Examples/enzyme_engineering/wrong_cpus.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:26,958 copying build/lib/pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:26,967 copying build/lib/pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-05-19T13:14:26,975 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-05-19T13:14:26,978 copying build/lib/pele_platform/Examples/out_in/input_flag_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-05-19T13:14:26,985 copying build/lib/pele_platform/Examples/out_in/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-05-19T13:14:26,990 copying build/lib/pele_platform/Examples/out_in/input_box_center.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-05-19T13:14:26,995 copying build/lib/pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-05-19T13:14:27,034 copying build/lib/pele_platform/Examples/out_in/input_default.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-05-19T13:14:27,040 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-05-19T13:14:27,043 copying build/lib/pele_platform/Examples/bias/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-05-19T13:14:27,049 copying build/lib/pele_platform/Examples/bias/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-05-19T13:14:27,089 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-05-19T13:14:27,092 copying build/lib/pele_platform/Examples/pca/input_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-05-19T13:14:27,099 copying build/lib/pele_platform/Examples/pca/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-05-19T13:14:27,106 copying build/lib/pele_platform/Examples/pca/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-05-19T13:14:27,145 copying build/lib/pele_platform/Examples/pca/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-05-19T13:14:27,188 copying build/lib/pele_platform/Examples/pca/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-05-19T13:14:27,234 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-05-19T13:14:27,237 copying build/lib/pele_platform/Examples/induced_fit/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-05-19T13:14:27,245 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-05-19T13:14:27,251 copying build/lib/pele_platform/Examples/induced_fit/input_fast.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-05-19T13:14:27,256 copying build/lib/pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-05-19T13:14:27,263 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-05-19T13:14:27,271 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-05-19T13:14:27,274 copying build/lib/pele_platform/Examples/exit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-05-19T13:14:27,281 copying build/lib/pele_platform/Examples/exit/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-05-19T13:14:27,292 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,295 copying build/lib/pele_platform/Examples/PPI/1tnf_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,357 copying build/lib/pele_platform/Examples/PPI/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,363 copying build/lib/pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,369 copying build/lib/pele_platform/Examples/PPI/1f47_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,395 copying build/lib/pele_platform/Examples/PPI/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,401 copying build/lib/pele_platform/Examples/PPI/1f47_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,409 copying build/lib/pele_platform/Examples/PPI/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-05-19T13:14:27,416 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,419 copying build/lib/pele_platform/Examples/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,425 copying build/lib/pele_platform/Examples/gpcr/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,430 copying build/lib/pele_platform/Examples/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,474 copying build/lib/pele_platform/Examples/gpcr/complex_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,520 copying build/lib/pele_platform/Examples/gpcr/input_atom_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,527 copying build/lib/pele_platform/Examples/gpcr/input_defaults2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-05-19T13:14:27,535 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-05-19T13:14:27,538 copying build/lib/pele_platform/Examples/global/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-05-19T13:14:27,545 copying build/lib/pele_platform/Examples/global/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-05-19T13:14:27,552 copying build/lib/pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-05-19T13:14:27,559 copying build/lib/pele_platform/Examples/global/input_inputs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-05-19T13:14:27,565 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-05-19T13:14:27,568 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,570 copying build/lib/pele_platform/Examples/restart/STR_Pele/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,580 copying build/lib/pele_platform/Examples/restart/STR_Pele/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,621 copying build/lib/pele_platform/Examples/restart/STR_Pele/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,627 copying build/lib/pele_platform/Examples/restart/STR_Pele/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,634 copying build/lib/pele_platform/Examples/restart/STR_Pele/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,672 copying build/lib/pele_platform/Examples/restart/STR_Pele/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,678 copying build/lib/pele_platform/Examples/restart/STR_Pele/STR.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele 2021-05-19T13:14:27,686 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal 2021-05-19T13:14:27,691 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates 2021-05-19T13:14:27,696 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005 2021-05-19T13:14:27,703 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:27,706 copying build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005/HeteroAtoms/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-05-19T13:14:27,719 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal/LigandRotamerLibs 2021-05-19T13:14:27,722 copying build/lib/pele_platform/Examples/restart/STR_Pele/DataLocal/LigandRotamerLibs/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart/STR_Pele/DataLocal/LigandRotamerLibs 2021-05-19T13:14:27,729 copying build/lib/pele_platform/Examples/restart/restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-05-19T13:14:27,735 copying build/lib/pele_platform/Examples/restart/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-05-19T13:14:27,744 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-05-19T13:14:27,746 copying build/lib/pele_platform/Examples/Adaptive/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-05-19T13:14:27,753 copying build/lib/pele_platform/Examples/Adaptive/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-05-19T13:14:27,759 copying build/lib/pele_platform/Examples/Adaptive/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-05-19T13:14:27,770 copying build/lib/pele_platform/Examples/Adaptive/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-05-19T13:14:27,777 copying build/lib/pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-05-19T13:14:27,789 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,794 copying build/lib/pele_platform/Examples/water/water2_pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,800 copying build/lib/pele_platform/Examples/water/water_pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,807 copying build/lib/pele_platform/Examples/water/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,812 copying build/lib/pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,858 copying build/lib/pele_platform/Examples/water/input_nwaters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,866 copying build/lib/pele_platform/Examples/water/input_lig.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,873 copying build/lib/pele_platform/Examples/water/input_lig_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,878 copying build/lib/pele_platform/Examples/water/input_bs_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,886 copying build/lib/pele_platform/Examples/water/input_all.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,892 copying build/lib/pele_platform/Examples/water/complex_induced.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,911 copying build/lib/pele_platform/Examples/water/input_bs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,916 copying build/lib/pele_platform/Examples/water/water_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,965 copying build/lib/pele_platform/Examples/water/input_previous_water.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-05-19T13:14:27,974 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:27,978 copying build/lib/pele_platform/Examples/site_finder/input_global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:27,985 copying build/lib/pele_platform/Examples/site_finder/global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:27,991 copying build/lib/pele_platform/Examples/site_finder/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:27,996 copying build/lib/pele_platform/Examples/site_finder/input_restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:28,001 copying build/lib/pele_platform/Examples/site_finder/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:28,051 copying build/lib/pele_platform/Examples/site_finder/local.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:28,057 copying build/lib/pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:28,063 copying build/lib/pele_platform/Examples/site_finder/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-05-19T13:14:28,072 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-05-19T13:14:28,075 copying build/lib/pele_platform/Examples/RNA/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-05-19T13:14:28,081 copying build/lib/pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-05-19T13:14:28,123 copying build/lib/pele_platform/Examples/RNA/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-05-19T13:14:28,131 copying build/lib/pele_platform/Examples/RNA/5C45_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-05-19T13:14:28,176 copying build/lib/pele_platform/Examples/RNA/2l94.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-05-19T13:14:28,188 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,193 copying build/lib/pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,201 copying build/lib/pele_platform/Examples/constraints/1zop.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,234 copying build/lib/pele_platform/Examples/constraints/4w5i_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,271 copying build/lib/pele_platform/Examples/constraints/4w4o_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,306 copying build/lib/pele_platform/Examples/constraints/4zu9_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,424 copying build/lib/pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,432 copying build/lib/pele_platform/Examples/constraints/input_k.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,440 copying build/lib/pele_platform/Examples/constraints/4l3a_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,598 copying build/lib/pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,604 copying build/lib/pele_platform/Examples/constraints/ca_constraints.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,672 copying build/lib/pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,714 copying build/lib/pele_platform/Examples/constraints/input_external_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,721 copying build/lib/pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,727 copying build/lib/pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,733 copying build/lib/pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,740 copying build/lib/pele_platform/Examples/constraints/no_connects.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,747 copying build/lib/pele_platform/Examples/constraints/input_smiles_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,753 copying build/lib/pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,759 copying build/lib/pele_platform/Examples/constraints/input_ignore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,764 copying build/lib/pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,770 copying build/lib/pele_platform/Examples/constraints/input_square_planar.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,778 copying build/lib/pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,783 copying build/lib/pele_platform/Examples/constraints/input_metals.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,789 copying build/lib/pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,795 copying build/lib/pele_platform/Examples/constraints/4qnr_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,848 copying build/lib/pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-05-19T13:14:28,857 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:28,862 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-05-19T13:14:28,865 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-05-19T13:14:28,871 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-05-19T13:14:28,877 copying build/lib/pele_platform/Examples/interaction_restrictions/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:28,883 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:28,888 copying build/lib/pele_platform/Examples/interaction_restrictions/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:28,957 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-05-19T13:14:28,965 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-05-19T13:14:28,968 copying build/lib/pele_platform/Examples/analysis/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-05-19T13:14:28,975 copying build/lib/pele_platform/Examples/analysis/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-05-19T13:14:28,982 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:28,985 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-05-19T13:14:28,989 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-05-19T13:14:28,992 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-05-19T13:14:29,028 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-05-19T13:14:29,070 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-05-19T13:14:29,075 copying build/lib/pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-05-19T13:14:29,085 copying build/lib/pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-05-19T13:14:29,096 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:29,103 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-05-19T13:14:29,108 copying build/lib/pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-05-19T13:14:29,119 copying build/lib/pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-05-19T13:14:29,158 copying build/lib/pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:29,198 copying build/lib/pele_platform/Examples/analysis/data/output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:29,204 copying build/lib/pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-05-19T13:14:29,210 copying build/lib/pele_platform/Examples/analysis/data/mgz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,215 copying build/lib/pele_platform/Examples/analysis/data/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,222 copying build/lib/pele_platform/Examples/analysis/data/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,228 copying build/lib/pele_platform/Examples/analysis/data/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,234 copying build/lib/pele_platform/Examples/analysis/data/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,240 copying build/lib/pele_platform/Examples/analysis/data/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,248 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:29,251 copying build/lib/pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:29,292 copying build/lib/pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:29,334 copying build/lib/pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-05-19T13:14:29,376 copying build/lib/pele_platform/Examples/analysis/data/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,382 copying build/lib/pele_platform/Examples/analysis/data/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,389 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-05-19T13:14:29,393 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-05-19T13:14:29,397 copying build/lib/pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-05-19T13:14:29,414 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:29,417 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:29,422 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:29,429 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:29,435 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-05-19T13:14:29,443 copying build/lib/pele_platform/Examples/analysis/data/xtc/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-05-19T13:14:29,450 copying build/lib/pele_platform/Examples/analysis/data/MG.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,456 copying build/lib/pele_platform/Examples/analysis/data/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-05-19T13:14:29,466 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output 2021-05-19T13:14:29,471 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:29,475 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:29,519 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:29,525 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:29,533 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:29,540 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-05-19T13:14:29,658 copying build/lib/pele_platform/Examples/analysis/input_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-05-19T13:14:29,666 copying build/lib/pele_platform/Examples/analysis/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-05-19T13:14:29,676 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,679 copying build/lib/pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,718 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,759 copying build/lib/pele_platform/Examples/Msm/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,769 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,811 copying build/lib/pele_platform/Examples/Msm/AS4_INIT.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,821 copying build/lib/pele_platform/Examples/Msm/PR_AS4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-05-19T13:14:29,863 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-05-19T13:14:29,867 copying build/lib/pele_platform/Examples/flags/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-05-19T13:14:29,879 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:29,882 copying build/lib/pele_platform/Examples/checker/input_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:29,888 copying build/lib/pele_platform/Examples/checker/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:29,893 copying build/lib/pele_platform/Examples/checker/input_tab.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:29,898 copying build/lib/pele_platform/Examples/checker/input_rotamer.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:29,904 copying build/lib/pele_platform/Examples/checker/complex_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:29,968 copying build/lib/pele_platform/Examples/checker/mapping_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,034 copying build/lib/pele_platform/Examples/checker/input_template.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,041 copying build/lib/pele_platform/Examples/checker/input_underscore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,048 copying build/lib/pele_platform/Examples/checker/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,056 copying build/lib/pele_platform/Examples/checker/input_map_atom_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,064 copying build/lib/pele_platform/Examples/checker/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,113 copying build/lib/pele_platform/Examples/checker/multiple_simulations.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,120 copying build/lib/pele_platform/Examples/checker/complex2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,150 copying build/lib/pele_platform/Examples/checker/ligand2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,159 copying build/lib/pele_platform/Examples/checker/input_pele_exec.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,166 copying build/lib/pele_platform/Examples/checker/input_map_atom_num.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,174 copying build/lib/pele_platform/Examples/checker/input_atom_string.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,181 copying build/lib/pele_platform/Examples/checker/input_env.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-05-19T13:14:30,189 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,192 copying build/lib/pele_platform/Examples/frag/sequential.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,197 copying build/lib/pele_platform/Examples/frag/core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,203 copying build/lib/pele_platform/Examples/frag/input_core_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,212 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-05-19T13:14:30,217 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-05-19T13:14:30,226 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-05-19T13:14:30,234 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,288 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,336 copying build/lib/pele_platform/Examples/frag/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,342 copying build/lib/pele_platform/Examples/frag/flags.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,347 copying build/lib/pele_platform/Examples/frag/amino.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,355 copying build/lib/pele_platform/Examples/frag/input_symmetry.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,363 copying build/lib/pele_platform/Examples/frag/ligands.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,370 copying build/lib/pele_platform/Examples/frag/input_ai.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,376 copying build/lib/pele_platform/Examples/frag/input_lib_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,382 copying build/lib/pele_platform/Examples/frag/input_point_analysis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,389 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,394 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,404 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,455 copying build/lib/pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,466 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,474 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,528 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,549 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,589 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,602 copying build/lib/pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,683 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,697 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,705 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,717 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,726 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,731 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,738 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-05-19T13:14:30,745 copying build/lib/pele_platform/Examples/frag/input_core.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,754 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data 2021-05-19T13:14:30,758 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-05-19T13:14:30,764 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-05-19T13:14:30,768 copying build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_2.1_BindingEnergy-25.1634.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-05-19T13:14:30,817 copying build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_1.1_BindingEnergy-23.4636.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-05-19T13:14:30,866 copying build/lib/pele_platform/Examples/frag/input_sim.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,871 copying build/lib/pele_platform/Examples/frag/input_lib_pdb.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-05-19T13:14:30,879 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-05-19T13:14:30,884 copying build/lib/pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-05-19T13:14:30,894 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-05-19T13:14:30,898 copying build/lib/pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-05-19T13:14:30,904 copying build/lib/pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-05-19T13:14:30,911 copying build/lib/pele_platform/Examples/frag/checker/receptor.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-05-19T13:14:30,942 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials 2021-05-19T13:14:30,946 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-05-19T13:14:30,950 copying build/lib/pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-05-19T13:14:30,955 copying build/lib/pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-05-19T13:14:31,023 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-05-19T13:14:31,027 copying build/lib/pele_platform/Examples/tutorials/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-05-19T13:14:31,036 copying build/lib/pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-05-19T13:14:31,082 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:31,086 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:31,097 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:31,124 copying build/lib/pele_platform/Examples/tutorials/ppi/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-05-19T13:14:31,134 copying build/lib/pele_platform/Examples/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-05-19T13:14:31,146 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc 2021-05-19T13:14:31,150 copying build/lib/pele_platform/Examples/clustering_xtc/water_clustering.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc 2021-05-19T13:14:31,160 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,164 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_3.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,176 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,183 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,190 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,195 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_2.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,205 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_4.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,216 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,222 copying build/lib/pele_platform/Examples/clustering_xtc/0/topology.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,259 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_1.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-05-19T13:14:31,270 copying build/lib/pele_platform/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-05-19T13:14:31,278 copying build/lib/pele_platform/_version.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-05-19T13:14:31,285 creating build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-05-19T13:14:31,288 copying build/lib/pele_platform/PPI/cluster.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-05-19T13:14:31,294 copying build/lib/pele_platform/PPI/preparation.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-05-19T13:14:31,300 copying build/lib/pele_platform/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-05-19T13:14:31,305 copying build/lib/pele_platform/PPI/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-05-19T13:14:31,313 copying build/lib/pele_platform/PPI/simulation_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-05-19T13:14:31,322 creating build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-05-19T13:14:31,325 copying build/lib/pele_platform/gpcr/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-05-19T13:14:31,334 copying build/lib/pele_platform/gpcr/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-05-19T13:14:31,345 creating build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,351 copying build/lib/pele_platform/Checker/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,361 copying build/lib/pele_platform/Checker/environment_variables.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,369 copying build/lib/pele_platform/Checker/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,377 copying build/lib/pele_platform/Checker/valid_flags.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,384 copying build/lib/pele_platform/Checker/python_version.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,390 copying build/lib/pele_platform/Checker/executable.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-05-19T13:14:31,397 copying build/lib/pele_platform/main.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-05-19T13:14:31,405 creating build/bdist.linux-armv7l/wheel/pele_platform/features 2021-05-19T13:14:31,407 copying build/lib/pele_platform/features/frag.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-05-19T13:14:31,414 copying build/lib/pele_platform/features/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-05-19T13:14:31,419 copying build/lib/pele_platform/features/adaptive.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-05-19T13:14:31,429 creating build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,432 copying build/lib/pele_platform/Adaptive/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,438 copying build/lib/pele_platform/Adaptive/parametrizer.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,449 copying build/lib/pele_platform/Adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,455 copying build/lib/pele_platform/Adaptive/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,463 copying build/lib/pele_platform/Adaptive/interaction_restrictions.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,470 copying build/lib/pele_platform/Adaptive/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,477 copying build/lib/pele_platform/Adaptive/box.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,483 copying build/lib/pele_platform/Adaptive/plop_solvent.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,490 copying build/lib/pele_platform/Adaptive/plop_ligand_parametrization.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-05-19T13:14:31,498 creating build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-05-19T13:14:31,500 copying build/lib/pele_platform/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-05-19T13:14:31,507 copying build/lib/pele_platform/site_finder/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-05-19T13:14:31,516 creating build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-05-19T13:14:31,519 copying build/lib/pele_platform/RNA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-05-19T13:14:31,525 copying build/lib/pele_platform/RNA/prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-05-19T13:14:31,533 creating build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-05-19T13:14:31,536 copying build/lib/pele_platform/Errors/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-05-19T13:14:31,542 copying build/lib/pele_platform/Errors/custom_errors.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-05-19T13:14:31,549 creating build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,551 copying build/lib/pele_platform/analysis/clustering.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,560 copying build/lib/pele_platform/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,566 copying build/lib/pele_platform/analysis/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,580 copying build/lib/pele_platform/analysis/pdf_report.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,586 copying build/lib/pele_platform/analysis/plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,602 copying build/lib/pele_platform/analysis/to_mae.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,609 copying build/lib/pele_platform/analysis/interactive_plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,618 copying build/lib/pele_platform/analysis/data.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-05-19T13:14:31,631 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,634 copying build/lib/pele_platform/Frag/checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,641 copying build/lib/pele_platform/Frag/generative_model.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,647 copying build/lib/pele_platform/Frag/libraries.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,654 copying build/lib/pele_platform/Frag/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,660 copying build/lib/pele_platform/Frag/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,668 copying build/lib/pele_platform/Frag/fragments.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,675 copying build/lib/pele_platform/Frag/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,682 copying build/lib/pele_platform/Frag/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,692 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,696 copying build/lib/pele_platform/Frag/parameters/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,704 copying build/lib/pele_platform/Frag/parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,710 copying build/lib/pele_platform/Frag/parameters/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,718 copying build/lib/pele_platform/Frag/parameters/optional.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,724 copying build/lib/pele_platform/Frag/parameters/files.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,730 copying build/lib/pele_platform/Frag/parameters/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-05-19T13:14:31,737 copying build/lib/pele_platform/Frag/atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-05-19T13:14:31,745 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-05-19T13:14:31,750 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-05-19T13:14:31,755 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-05-19T13:14:31,759 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-05-19T13:14:31,770 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-05-19T13:14:31,774 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-05-19T13:14:31,779 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-05-19T13:14:31,785 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-05-19T13:14:31,791 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-05-19T13:14:31,794 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-05-19T13:14:31,800 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-05-19T13:14:31,806 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-05-19T13:14:31,809 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-05-19T13:14:31,815 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-05-19T13:14:31,822 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-05-19T13:14:31,825 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-05-19T13:14:31,830 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-05-19T13:14:31,839 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-05-19T13:14:31,842 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-05-19T13:14:31,848 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-05-19T13:14:31,856 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-05-19T13:14:31,859 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-05-19T13:14:31,866 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-05-19T13:14:31,872 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-05-19T13:14:31,875 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-05-19T13:14:31,881 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-05-19T13:14:31,889 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-05-19T13:14:31,892 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-05-19T13:14:31,898 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-05-19T13:14:31,905 copying build/lib/pele_platform/Utilities/Parameters/parameters.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-05-19T13:14:31,912 copying build/lib/pele_platform/Utilities/Parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-05-19T13:14:31,920 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,923 copying build/lib/pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,932 copying build/lib/pele_platform/Utilities/Helpers/template_builder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,938 copying build/lib/pele_platform/Utilities/Helpers/conda_deployment.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,944 copying build/lib/pele_platform/Utilities/Helpers/launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,950 copying build/lib/pele_platform/Utilities/Helpers/missing_residues.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,957 copying build/lib/pele_platform/Utilities/Helpers/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,964 copying build/lib/pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,975 copying build/lib/pele_platform/Utilities/Helpers/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,983 copying build/lib/pele_platform/Utilities/Helpers/interaction_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,990 copying build/lib/pele_platform/Utilities/Helpers/bestStructs.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:31,997 copying build/lib/pele_platform/Utilities/Helpers/plop_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,004 copying build/lib/pele_platform/Utilities/Helpers/map_atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,011 copying build/lib/pele_platform/Utilities/Helpers/center_of_mass.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,018 copying build/lib/pele_platform/Utilities/Helpers/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,027 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:32,029 copying build/lib/pele_platform/Utilities/Helpers/Metals/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:32,036 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:32,044 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-05-19T13:14:32,050 copying build/lib/pele_platform/Utilities/Helpers/yaml_parser.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,059 copying build/lib/pele_platform/Utilities/Helpers/randomize.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,067 copying build/lib/pele_platform/Utilities/Helpers/protein_wizard.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,076 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:32,078 copying build/lib/pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:32,085 copying build/lib/pele_platform/Utilities/Helpers/constraints/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:32,089 copying build/lib/pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-05-19T13:14:32,095 copying build/lib/pele_platform/Utilities/Helpers/system_prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,102 copying build/lib/pele_platform/Utilities/Helpers/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-05-19T13:14:32,110 copying build/lib/pele_platform/Utilities/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-05-19T13:14:32,117 creating build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-05-19T13:14:32,119 copying build/lib/pele_platform/constants/constants.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-05-19T13:14:32,126 copying build/lib/pele_platform/constants/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-05-19T13:14:32,130 copying build/lib/pele_platform/constants/pele_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-05-19T13:14:32,136 running install_egg_info 2021-05-19T13:14:32,166 Copying pele_platform.egg-info to build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b5-py3.5.egg-info 2021-05-19T13:14:32,207 running install_scripts 2021-05-19T13:14:32,466 creating build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b5.dist-info/WHEEL 2021-05-19T13:14:49,344 Building wheel for pele-platform (setup.py): finished with status 'done' 2021-05-19T13:14:49,529 Created wheel for pele-platform: filename=pele_platform-1.6.0b5-py3-none-any.whl size=10978506 sha256=0fe0b546464bc694c651c606052043a0f7c9acaf125ba4bd1fde9f349e88e959 2021-05-19T13:14:49,530 Stored in directory: /tmp/pip-ephem-wheel-cache-sk0pmmuu/wheels/57/84/9b/f99064a0fc1391712e79ecce46a553b572581993002e816163 2021-05-19T13:14:49,598 Successfully built pele-platform 2021-05-19T13:14:51,496 Removed build tracker: '/tmp/pip-req-tracker-__zy7_mf'