2021-09-03T17:49:44,113 Created temporary directory: /tmp/pip-ephem-wheel-cache-jbm4kqwr 2021-09-03T17:49:44,120 Created temporary directory: /tmp/pip-req-tracker-tcz7fjug 2021-09-03T17:49:44,120 Initialized build tracking at /tmp/pip-req-tracker-tcz7fjug 2021-09-03T17:49:44,121 Created build tracker: /tmp/pip-req-tracker-tcz7fjug 2021-09-03T17:49:44,121 Entered build tracker: /tmp/pip-req-tracker-tcz7fjug 2021-09-03T17:49:44,123 Created temporary directory: /tmp/pip-wheel-1y8iq4hp 2021-09-03T17:49:44,179 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2021-09-03T17:49:44,182 2 location(s) to search for versions of pele-platform: 2021-09-03T17:49:44,182 * https://pypi.org/simple/pele-platform/ 2021-09-03T17:49:44,182 * https://www.piwheels.org/simple/pele-platform/ 2021-09-03T17:49:44,183 Fetching project page and analyzing links: https://pypi.org/simple/pele-platform/ 2021-09-03T17:49:44,186 Getting page https://pypi.org/simple/pele-platform/ 2021-09-03T17:49:44,190 Found index url https://pypi.org/simple 2021-09-03T17:49:44,561 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 2021-09-03T17:49:44,562 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 2021-09-03T17:49:44,563 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 2021-09-03T17:49:44,564 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 2021-09-03T17:49:44,565 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 2021-09-03T17:49:44,566 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 2021-09-03T17:49:44,567 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 2021-09-03T17:49:44,571 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 2021-09-03T17:49:44,572 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 2021-09-03T17:49:44,573 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 2021-09-03T17:49:44,574 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 2021-09-03T17:49:44,575 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 2021-09-03T17:49:44,576 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 2021-09-03T17:49:44,576 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 2021-09-03T17:49:44,577 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 2021-09-03T17:49:44,578 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 2021-09-03T17:49:44,579 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 2021-09-03T17:49:44,580 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 2021-09-03T17:49:44,581 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 2021-09-03T17:49:44,582 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 2021-09-03T17:49:44,583 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 2021-09-03T17:49:44,584 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 2021-09-03T17:49:44,585 Found link https://files.pythonhosted.org/packages/e1/28/b31c1b1b3daf0bc65f6c3d09cad23ec355868feb94787f0adc4407c60364/pele_platform-1.6.0b6.tar.gz#sha256=63327ad61bcbfa4e69c138e5ec38621194b929c5e271b21d01c359961fd8e805 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b6 2021-09-03T17:49:44,586 Found link https://files.pythonhosted.org/packages/3c/b6/8ebb9f0d293a32db481b1bd6e620d5b04e73b2bf516bcedbd22033f16016/pele_platform-1.6.0b7.tar.gz#sha256=e5e3a57d5eb74bf3f664714017549f773f71f325da381666f8f872c38c12d06e (from https://pypi.org/simple/pele-platform/), version: 1.6.0b7 2021-09-03T17:49:44,587 Found link https://files.pythonhosted.org/packages/bf/83/ff52f07ec4bc23a134b0fcb5ea792d20ee925939a73bc0a2cc867e47378c/pele_platform-1.6.0rc1.tar.gz#sha256=34a396a464e091c199e16e4d7fdce545eb8e1acde49096d61f5c5f04a220b1d7 (from https://pypi.org/simple/pele-platform/), version: 1.6.0rc1 2021-09-03T17:49:44,588 Found link https://files.pythonhosted.org/packages/43/3a/60b79f3dae3de9b5568620f8d2bf4fc3d2a80a2bf055d2699f962b5cdd27/pele_platform-1.6.0rc2.tar.gz#sha256=1056394184b738486172547f015fa65ca7830cec5605bb99c86741908b3db07a (from https://pypi.org/simple/pele-platform/), version: 1.6.0rc2 2021-09-03T17:49:44,589 Found link https://files.pythonhosted.org/packages/27/be/a3c190f0a24fc9e18c3cd0ba2a328e597ee96e6722081e796f43afd3b706/pele_platform-1.6.0.tar.gz#sha256=648184346e6e4b63b1f13885f806143a875b6d5da59e53a5edb3b4e421bd1f90 (from https://pypi.org/simple/pele-platform/), version: 1.6.0 2021-09-03T17:49:44,589 Fetching project page and analyzing links: https://www.piwheels.org/simple/pele-platform/ 2021-09-03T17:49:44,590 Getting page https://www.piwheels.org/simple/pele-platform/ 2021-09-03T17:49:44,593 Found index url https://www.piwheels.org/simple 2021-09-03T17:49:44,828 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.1-cp34-cp34m-linux_armv6l.whl#sha256=cfa754261c485621955deb1b1b977ab76c3b11decc3791d2046182c538a53265 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,829 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.1-cp34-cp34m-linux_armv7l.whl#sha256=cfa754261c485621955deb1b1b977ab76c3b11decc3791d2046182c538a53265 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,830 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp34-cp34m-linux_armv6l.whl#sha256=8f9f46188cfb1375d1376a62f3cb8fc59775700ecd1d3268ea0decb9de1f2768 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,831 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp34-cp34m-linux_armv7l.whl#sha256=8f9f46188cfb1375d1376a62f3cb8fc59775700ecd1d3268ea0decb9de1f2768 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,831 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp35-cp35m-linux_armv6l.whl#sha256=c1794338b7c93baf55885b2f40257cdf706bdd2f6fc21d38cbf1f865d162899c (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,832 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp35-cp35m-linux_armv7l.whl#sha256=c1794338b7c93baf55885b2f40257cdf706bdd2f6fc21d38cbf1f865d162899c (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,833 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp37-cp37m-linux_armv6l.whl#sha256=52970c8a6e59fe092e264cde9de8c639a778852faaecb06fb6c8b6146b06136d (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,833 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp37-cp37m-linux_armv7l.whl#sha256=52970c8a6e59fe092e264cde9de8c639a778852faaecb06fb6c8b6146b06136d (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,834 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp39-cp39-linux_armv6l.whl#sha256=eb926ca03cf91a68265839e92d4b00873d99a215e9c99afc7807424ff391cbe5 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,835 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.2-cp39-cp39-linux_armv7l.whl#sha256=eb926ca03cf91a68265839e92d4b00873d99a215e9c99afc7807424ff391cbe5 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,835 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp34-cp34m-linux_armv6l.whl#sha256=e98b858f83fb7cb0f5c4f4c9dde11da1d2f97a22da162624fc253addfc1b1c56 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,836 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp34-cp34m-linux_armv7l.whl#sha256=e98b858f83fb7cb0f5c4f4c9dde11da1d2f97a22da162624fc253addfc1b1c56 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,837 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp35-cp35m-linux_armv6l.whl#sha256=39e33c6f24821296c6910712ef8253e663d36726ac6e084ba121a3b744d39a47 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,837 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp35-cp35m-linux_armv7l.whl#sha256=39e33c6f24821296c6910712ef8253e663d36726ac6e084ba121a3b744d39a47 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,838 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp37-cp37m-linux_armv6l.whl#sha256=343a8ef460b700f7e0e9661ea7252a162c6c9c4b4b2152d24075e1d08c7f588e (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,839 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp37-cp37m-linux_armv7l.whl#sha256=343a8ef460b700f7e0e9661ea7252a162c6c9c4b4b2152d24075e1d08c7f588e (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,839 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp39-cp39-linux_armv6l.whl#sha256=3690e174ecc0095e8ed79d7507ce4c0f013996a92962bc170ccec96812788f82 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,840 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.0.0.3-cp39-cp39-linux_armv7l.whl#sha256=3690e174ecc0095e8ed79d7507ce4c0f013996a92962bc170ccec96812788f82 (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,840 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.1.0-cp34-cp34m-linux_armv6l.whl#sha256=6b7773052481af929dcfc3febcf09d20a46e1d2084eaebc566c246dff6c6402f (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,841 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.1.0-cp34-cp34m-linux_armv7l.whl#sha256=6b7773052481af929dcfc3febcf09d20a46e1d2084eaebc566c246dff6c6402f (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,842 Skipping link: No binaries permitted for pele-platform: 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https://www.piwheels.org/simple/pele-platform/pele_platform-1.6.0b6-py3-none-any.whl#sha256=03c84f86922a46a247c25d34fccab1287e71efb2795ad00da3313162b628b5fc (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,860 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.6.0b7-py3-none-any.whl#sha256=2bd15289b4956ee24558f807ff69319d0585a640c676e82f48b26d4f7eeb77fc (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,860 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.6.0rc1-py3-none-any.whl#sha256=f17628f12454edfa542ff6dd8b1597e6dbe27366006582efa2b65537a009272d (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,861 Skipping link: No binaries permitted for pele-platform: https://www.piwheels.org/simple/pele-platform/pele_platform-1.6.0rc2-py3-none-any.whl#sha256=089f457c494767a9d5153745dd6e12ae4c9093451d5ef15fea11ba0e5b603bad (from https://www.piwheels.org/simple/pele-platform/) 2021-09-03T17:49:44,903 Given no hashes to check 1 links for project 'pele-platform': discarding no candidates 2021-09-03T17:49:44,936 Collecting pele-platform==1.6.0 2021-09-03T17:49:44,939 Created temporary directory: /tmp/pip-unpack-y0ikft5f 2021-09-03T17:49:45,450 Downloading pele_platform-1.6.0.tar.gz (11.1 MB) 2021-09-03T17:49:57,689 Added pele-platform==1.6.0 from https://files.pythonhosted.org/packages/27/be/a3c190f0a24fc9e18c3cd0ba2a328e597ee96e6722081e796f43afd3b706/pele_platform-1.6.0.tar.gz#sha256=648184346e6e4b63b1f13885f806143a875b6d5da59e53a5edb3b4e421bd1f90 to build tracker '/tmp/pip-req-tracker-tcz7fjug' 2021-09-03T17:49:57,692 Running setup.py (path:/tmp/pip-wheel-1y8iq4hp/pele-platform_ce6ac9233b4648778c04797dbb9c973c/setup.py) egg_info for package pele-platform 2021-09-03T17:49:57,694 Created temporary directory: /tmp/pip-pip-egg-info-raeneb4f 2021-09-03T17:49:57,694 Running command python setup.py egg_info 2021-09-03T17:50:00,198 running egg_info 2021-09-03T17:50:00,204 creating /tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info 2021-09-03T17:50:00,207 writing requirements to /tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/requires.txt 2021-09-03T17:50:00,210 writing /tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/PKG-INFO 2021-09-03T17:50:00,214 writing dependency_links to /tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/dependency_links.txt 2021-09-03T17:50:00,218 writing top-level names to /tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/top_level.txt 2021-09-03T17:50:00,222 writing manifest file '/tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/SOURCES.txt' 2021-09-03T17:50:00,275 reading manifest file '/tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/SOURCES.txt' 2021-09-03T17:50:00,278 reading manifest template 'MANIFEST.in' 2021-09-03T17:50:00,282 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-09-03T17:50:00,282 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-09-03T17:50:00,283 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-09-03T17:50:00,284 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-09-03T17:50:00,767 warning: no files found matching '*' under directory 'tests/data' 2021-09-03T17:50:00,814 writing manifest file '/tmp/pip-pip-egg-info-raeneb4f/pele_platform.egg-info/SOURCES.txt' 2021-09-03T17:50:00,953 Source in /tmp/pip-wheel-1y8iq4hp/pele-platform_ce6ac9233b4648778c04797dbb9c973c has version 1.6.0, which satisfies requirement pele-platform==1.6.0 from https://files.pythonhosted.org/packages/27/be/a3c190f0a24fc9e18c3cd0ba2a328e597ee96e6722081e796f43afd3b706/pele_platform-1.6.0.tar.gz#sha256=648184346e6e4b63b1f13885f806143a875b6d5da59e53a5edb3b4e421bd1f90 2021-09-03T17:50:00,955 Removed pele-platform==1.6.0 from https://files.pythonhosted.org/packages/27/be/a3c190f0a24fc9e18c3cd0ba2a328e597ee96e6722081e796f43afd3b706/pele_platform-1.6.0.tar.gz#sha256=648184346e6e4b63b1f13885f806143a875b6d5da59e53a5edb3b4e421bd1f90 from build tracker '/tmp/pip-req-tracker-tcz7fjug' 2021-09-03T17:50:00,963 Created temporary directory: /tmp/pip-unpack-fk3tg4ft 2021-09-03T17:50:00,964 Building wheels for collected packages: pele-platform 2021-09-03T17:50:00,973 Created temporary directory: /tmp/pip-wheel-8s5q57d1 2021-09-03T17:50:00,974 Building wheel for pele-platform (setup.py): started 2021-09-03T17:50:00,975 Destination directory: /tmp/pip-wheel-8s5q57d1 2021-09-03T17:50:00,976 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-1y8iq4hp/pele-platform_ce6ac9233b4648778c04797dbb9c973c/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-1y8iq4hp/pele-platform_ce6ac9233b4648778c04797dbb9c973c/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-8s5q57d1 2021-09-03T17:50:03,449 running bdist_wheel 2021-09-03T17:50:03,459 running build 2021-09-03T17:50:03,459 running build_py 2021-09-03T17:50:03,471 creating build 2021-09-03T17:50:03,472 creating build/lib 2021-09-03T17:50:03,473 creating build/lib/pele_platform 2021-09-03T17:50:03,476 copying pele_platform/_version.py -> build/lib/pele_platform 2021-09-03T17:50:03,480 copying pele_platform/main.py -> build/lib/pele_platform 2021-09-03T17:50:03,484 copying pele_platform/plotter.py -> build/lib/pele_platform 2021-09-03T17:50:03,493 copying pele_platform/__init__.py -> build/lib/pele_platform 2021-09-03T17:50:03,498 creating build/lib/pele_platform/features 2021-09-03T17:50:03,500 copying pele_platform/features/adaptive.py -> build/lib/pele_platform/features 2021-09-03T17:50:03,505 copying pele_platform/features/__init__.py -> build/lib/pele_platform/features 2021-09-03T17:50:03,509 copying pele_platform/features/frag.py -> build/lib/pele_platform/features 2021-09-03T17:50:03,516 creating build/lib/pele_platform/out_in 2021-09-03T17:50:03,519 copying pele_platform/out_in/main.py -> build/lib/pele_platform/out_in 2021-09-03T17:50:03,524 copying pele_platform/out_in/__init__.py -> build/lib/pele_platform/out_in 2021-09-03T17:50:03,529 creating build/lib/pele_platform/Errors 2021-09-03T17:50:03,530 copying pele_platform/Errors/custom_errors.py -> build/lib/pele_platform/Errors 2021-09-03T17:50:03,535 copying pele_platform/Errors/__init__.py -> build/lib/pele_platform/Errors 2021-09-03T17:50:03,539 creating build/lib/pele_platform/analysis 2021-09-03T17:50:03,541 copying pele_platform/analysis/data.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,551 copying pele_platform/analysis/plot.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,558 copying pele_platform/analysis/__init__.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,563 copying pele_platform/analysis/pdf_report.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,569 copying pele_platform/analysis/analysis.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,582 copying pele_platform/analysis/clustering.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,589 copying pele_platform/analysis/interactive_plot.py -> build/lib/pele_platform/analysis 2021-09-03T17:50:03,599 creating build/lib/pele_platform/enzyme_engineering 2021-09-03T17:50:03,601 copying pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/lib/pele_platform/enzyme_engineering 2021-09-03T17:50:03,608 copying pele_platform/enzyme_engineering/__init__.py -> build/lib/pele_platform/enzyme_engineering 2021-09-03T17:50:03,612 creating build/lib/pele_platform/Utilities 2021-09-03T17:50:03,613 copying pele_platform/Utilities/__init__.py -> build/lib/pele_platform/Utilities 2021-09-03T17:50:03,618 creating build/lib/pele_platform/constants 2021-09-03T17:50:03,620 copying pele_platform/constants/constants.py -> build/lib/pele_platform/constants 2021-09-03T17:50:03,625 copying pele_platform/constants/__init__.py -> build/lib/pele_platform/constants 2021-09-03T17:50:03,630 copying pele_platform/constants/pele_params.py -> build/lib/pele_platform/constants 2021-09-03T17:50:03,639 creating build/lib/pele_platform/Checker 2021-09-03T17:50:03,641 copying pele_platform/Checker/valid_flags.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,648 copying pele_platform/Checker/main.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,652 copying pele_platform/Checker/pdb_checker.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,656 copying pele_platform/Checker/__init__.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,659 copying pele_platform/Checker/python_version.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,663 copying pele_platform/Checker/environment_variables.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,666 copying pele_platform/Checker/executable.py -> build/lib/pele_platform/Checker 2021-09-03T17:50:03,675 creating build/lib/pele_platform/Frag 2021-09-03T17:50:03,677 copying pele_platform/Frag/atoms.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,683 copying pele_platform/Frag/checker.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,689 copying pele_platform/Frag/simulation.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,695 copying pele_platform/Frag/fragments.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,699 copying pele_platform/Frag/helpers.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,704 copying pele_platform/Frag/__init__.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,708 copying pele_platform/Frag/analysis.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,714 copying pele_platform/Frag/generative_model.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,720 copying pele_platform/Frag/libraries.py -> build/lib/pele_platform/Frag 2021-09-03T17:50:03,728 creating build/lib/pele_platform/RNA 2021-09-03T17:50:03,730 copying pele_platform/RNA/__init__.py -> build/lib/pele_platform/RNA 2021-09-03T17:50:03,733 copying pele_platform/RNA/prep.py -> build/lib/pele_platform/RNA 2021-09-03T17:50:03,738 creating build/lib/pele_platform/covalent_docking 2021-09-03T17:50:03,740 copying pele_platform/covalent_docking/main.py -> build/lib/pele_platform/covalent_docking 2021-09-03T17:50:03,746 copying pele_platform/covalent_docking/__init__.py -> build/lib/pele_platform/covalent_docking 2021-09-03T17:50:03,751 creating build/lib/pele_platform/gpcr 2021-09-03T17:50:03,753 copying pele_platform/gpcr/main.py -> build/lib/pele_platform/gpcr 2021-09-03T17:50:03,759 copying pele_platform/gpcr/__init__.py -> build/lib/pele_platform/gpcr 2021-09-03T17:50:03,767 creating build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,771 copying pele_platform/Adaptive/parametrizer.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,780 copying pele_platform/Adaptive/interaction_restrictions.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,785 copying pele_platform/Adaptive/simulation.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,792 copying pele_platform/Adaptive/plop_solvent.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,797 copying pele_platform/Adaptive/plop_ligand_parametrization.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,801 copying pele_platform/Adaptive/__init__.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,806 copying pele_platform/Adaptive/metrics.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,810 copying pele_platform/Adaptive/box.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,815 copying pele_platform/Adaptive/pca.py -> build/lib/pele_platform/Adaptive 2021-09-03T17:50:03,821 creating build/lib/pele_platform/site_finder 2021-09-03T17:50:03,824 copying pele_platform/site_finder/main.py -> build/lib/pele_platform/site_finder 2021-09-03T17:50:03,830 copying pele_platform/site_finder/__init__.py -> build/lib/pele_platform/site_finder 2021-09-03T17:50:03,835 creating build/lib/pele_platform/PPI 2021-09-03T17:50:03,838 copying pele_platform/PPI/cluster.py -> build/lib/pele_platform/PPI 2021-09-03T17:50:03,844 copying pele_platform/PPI/simulation_launcher.py -> build/lib/pele_platform/PPI 2021-09-03T17:50:03,848 copying pele_platform/PPI/main.py -> build/lib/pele_platform/PPI 2021-09-03T17:50:03,854 copying pele_platform/PPI/__init__.py -> build/lib/pele_platform/PPI 2021-09-03T17:50:03,858 copying pele_platform/PPI/preparation.py -> build/lib/pele_platform/PPI 2021-09-03T17:50:03,869 creating build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,872 copying pele_platform/Utilities/Helpers/bestStructs.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,878 copying pele_platform/Utilities/Helpers/map_atoms.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,884 copying pele_platform/Utilities/Helpers/launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,889 copying pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,895 copying pele_platform/Utilities/Helpers/protein_wizard.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,900 copying pele_platform/Utilities/Helpers/yaml_parser.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,907 copying pele_platform/Utilities/Helpers/interaction_constraints.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,913 copying pele_platform/Utilities/Helpers/plop_launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,920 copying pele_platform/Utilities/Helpers/center_of_mass.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,927 copying pele_platform/Utilities/Helpers/randomize.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,935 copying pele_platform/Utilities/Helpers/simulation.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,941 copying pele_platform/Utilities/Helpers/helpers.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,948 copying pele_platform/Utilities/Helpers/__init__.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,953 copying pele_platform/Utilities/Helpers/water.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,960 copying pele_platform/Utilities/Helpers/system_prep.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,966 copying pele_platform/Utilities/Helpers/missing_residues.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,971 copying pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,978 copying pele_platform/Utilities/Helpers/ligand_conformations.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,984 copying pele_platform/Utilities/Helpers/conda_deployment.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,988 copying pele_platform/Utilities/Helpers/template_builder.py -> build/lib/pele_platform/Utilities/Helpers 2021-09-03T17:50:03,994 creating build/lib/pele_platform/Utilities/Parameters 2021-09-03T17:50:03,997 copying pele_platform/Utilities/Parameters/__init__.py -> build/lib/pele_platform/Utilities/Parameters 2021-09-03T17:50:04,002 copying pele_platform/Utilities/Parameters/parameters.py -> build/lib/pele_platform/Utilities/Parameters 2021-09-03T17:50:04,009 creating build/lib/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:04,012 copying pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:04,018 copying pele_platform/Utilities/Helpers/constraints/__init__.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:04,022 copying pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:04,029 creating build/lib/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:04,032 copying pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:04,038 copying pele_platform/Utilities/Helpers/Metals/__init__.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:04,043 copying pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:04,049 creating build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-09-03T17:50:04,051 copying pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-09-03T17:50:04,056 copying pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-09-03T17:50:04,062 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-09-03T17:50:04,065 copying pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-09-03T17:50:04,073 copying pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-09-03T17:50:04,078 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-09-03T17:50:04,080 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-09-03T17:50:04,084 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-09-03T17:50:04,089 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-09-03T17:50:04,091 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-09-03T17:50:04,095 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-09-03T17:50:04,099 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-09-03T17:50:04,101 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-09-03T17:50:04,105 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-09-03T17:50:04,110 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-09-03T17:50:04,112 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-09-03T17:50:04,116 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-09-03T17:50:04,120 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-09-03T17:50:04,122 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-09-03T17:50:04,126 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-09-03T17:50:04,131 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-09-03T17:50:04,133 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-09-03T17:50:04,137 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-09-03T17:50:04,141 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-09-03T17:50:04,143 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-09-03T17:50:04,147 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-09-03T17:50:04,152 creating build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,155 copying pele_platform/Frag/parameters/simulation.py -> build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,160 copying pele_platform/Frag/parameters/optional.py -> build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,164 copying pele_platform/Frag/parameters/__init__.py -> build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,168 copying pele_platform/Frag/parameters/water.py -> build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,173 copying pele_platform/Frag/parameters/metrics.py -> build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,183 copying pele_platform/Frag/parameters/files.py -> build/lib/pele_platform/Frag/parameters 2021-09-03T17:50:04,190 running egg_info 2021-09-03T17:50:04,213 writing top-level names to pele_platform.egg-info/top_level.txt 2021-09-03T17:50:04,216 writing requirements to pele_platform.egg-info/requires.txt 2021-09-03T17:50:04,219 writing pele_platform.egg-info/PKG-INFO 2021-09-03T17:50:04,223 writing dependency_links to pele_platform.egg-info/dependency_links.txt 2021-09-03T17:50:04,267 reading manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-09-03T17:50:04,294 reading manifest template 'MANIFEST.in' 2021-09-03T17:50:04,296 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-09-03T17:50:04,297 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-09-03T17:50:04,298 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-09-03T17:50:04,298 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-09-03T17:50:04,711 warning: no files found matching '*' under directory 'tests/data' 2021-09-03T17:50:04,783 writing manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-09-03T17:50:04,892 creating build/lib/pele_platform/Examples 2021-09-03T17:50:04,894 copying pele_platform/Examples/test.sl -> build/lib/pele_platform/Examples 2021-09-03T17:50:04,899 creating build/lib/pele_platform/Examples/Adaptive 2021-09-03T17:50:04,901 copying pele_platform/Examples/Adaptive/STR.rot.assign -> build/lib/pele_platform/Examples/Adaptive 2021-09-03T17:50:04,906 copying pele_platform/Examples/Adaptive/adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-09-03T17:50:04,910 copying pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-09-03T17:50:04,917 copying pele_platform/Examples/Adaptive/strz -> build/lib/pele_platform/Examples/Adaptive 2021-09-03T17:50:04,928 copying pele_platform/Examples/Adaptive/test.sl -> build/lib/pele_platform/Examples/Adaptive 2021-09-03T17:50:04,935 creating build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:04,937 copying pele_platform/Examples/Msm/AS4_INIT.mae -> build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:04,944 copying pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:04,981 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:05,021 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:05,060 copying pele_platform/Examples/Msm/PR_AS4.pdb -> build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:05,099 copying pele_platform/Examples/Msm/input.yaml -> build/lib/pele_platform/Examples/Msm 2021-09-03T17:50:05,105 creating build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,107 copying pele_platform/Examples/PPI/1f47_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,115 copying pele_platform/Examples/PPI/1f47_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,139 copying pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,145 copying pele_platform/Examples/PPI/1tnf_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,204 copying pele_platform/Examples/PPI/input.yaml -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,208 copying pele_platform/Examples/PPI/input_folder.yaml -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,213 copying pele_platform/Examples/PPI/input_skipref.yaml -> build/lib/pele_platform/Examples/PPI 2021-09-03T17:50:05,217 creating build/lib/pele_platform/Examples/RNA 2021-09-03T17:50:05,219 copying pele_platform/Examples/RNA/2l94.yaml -> build/lib/pele_platform/Examples/RNA 2021-09-03T17:50:05,224 copying pele_platform/Examples/RNA/5C45_prep.pdb -> build/lib/pele_platform/Examples/RNA 2021-09-03T17:50:05,266 copying pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/lib/pele_platform/Examples/RNA 2021-09-03T17:50:05,309 copying pele_platform/Examples/RNA/input.yaml -> build/lib/pele_platform/Examples/RNA 2021-09-03T17:50:05,316 copying pele_platform/Examples/RNA/input_induced.yaml -> build/lib/pele_platform/Examples/RNA 2021-09-03T17:50:05,322 creating build/lib/pele_platform/Examples/analysis 2021-09-03T17:50:05,324 copying pele_platform/Examples/analysis/input.yaml -> build/lib/pele_platform/Examples/analysis 2021-09-03T17:50:05,329 copying pele_platform/Examples/analysis/input_flags.yaml -> build/lib/pele_platform/Examples/analysis 2021-09-03T17:50:05,333 copying pele_platform/Examples/analysis/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis 2021-09-03T17:50:05,338 copying pele_platform/Examples/analysis/input_xtc.yaml -> build/lib/pele_platform/Examples/analysis 2021-09-03T17:50:05,342 creating build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,345 copying pele_platform/Examples/analysis/data/MG.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,351 copying pele_platform/Examples/analysis/data/STR.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,356 copying pele_platform/Examples/analysis/data/adaptive.conf -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,363 copying pele_platform/Examples/analysis/data/input.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,367 copying pele_platform/Examples/analysis/data/input_flags.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,372 copying pele_platform/Examples/analysis/data/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,376 copying pele_platform/Examples/analysis/data/input_mae.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,381 copying pele_platform/Examples/analysis/data/mgz -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,385 copying pele_platform/Examples/analysis/data/pele.conf -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,392 copying pele_platform/Examples/analysis/data/strz -> build/lib/pele_platform/Examples/analysis/data 2021-09-03T17:50:05,398 creating build/lib/pele_platform/Examples/analysis/data/empty_reports_output 2021-09-03T17:50:05,399 creating build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:05,402 copying pele_platform/Examples/analysis/data/empty_reports_output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:05,408 copying pele_platform/Examples/analysis/data/empty_reports_output/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:05,412 copying pele_platform/Examples/analysis/data/empty_reports_output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:05,417 copying pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:05,459 copying pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:05,571 creating build/lib/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:05,573 copying pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:05,612 copying pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:05,653 copying pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:05,694 creating build/lib/pele_platform/Examples/analysis/data/output 2021-09-03T17:50:05,697 copying pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/lib/pele_platform/Examples/analysis/data/output 2021-09-03T17:50:05,704 creating build/lib/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:05,706 copying pele_platform/Examples/analysis/data/output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:05,711 copying pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:05,716 copying pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:05,754 creating build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-09-03T17:50:05,756 copying pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-09-03T17:50:05,797 copying pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-09-03T17:50:05,804 creating build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-09-03T17:50:05,806 copying pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-09-03T17:50:05,812 creating build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-09-03T17:50:05,814 copying pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-09-03T17:50:05,847 copying pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-09-03T17:50:05,886 creating build/lib/pele_platform/Examples/analysis/data/xtc 2021-09-03T17:50:05,888 copying pele_platform/Examples/analysis/data/xtc/summary.csv -> build/lib/pele_platform/Examples/analysis/data/xtc 2021-09-03T17:50:05,895 creating build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:05,898 copying pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:05,905 copying pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:05,911 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:05,917 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:05,922 creating build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-09-03T17:50:05,924 copying pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-09-03T17:50:05,939 creating build/lib/pele_platform/Examples/bias 2021-09-03T17:50:05,941 copying pele_platform/Examples/bias/complex.pdb -> build/lib/pele_platform/Examples/bias 2021-09-03T17:50:05,977 copying pele_platform/Examples/bias/input_defaults.yaml -> build/lib/pele_platform/Examples/bias 2021-09-03T17:50:05,982 creating build/lib/pele_platform/Examples/box 2021-09-03T17:50:05,984 copying pele_platform/Examples/box/input.yaml -> build/lib/pele_platform/Examples/box 2021-09-03T17:50:05,989 creating build/lib/pele_platform/Examples/checker 2021-09-03T17:50:05,992 copying pele_platform/Examples/checker/complex.pdb -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,041 copying pele_platform/Examples/checker/complex2.pdb -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,067 copying pele_platform/Examples/checker/complex_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,132 copying pele_platform/Examples/checker/incompatible_flags.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,137 copying pele_platform/Examples/checker/input.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,142 copying pele_platform/Examples/checker/input_atom_string.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,146 copying pele_platform/Examples/checker/input_env.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,151 copying pele_platform/Examples/checker/input_map_atom_num.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,155 copying pele_platform/Examples/checker/input_map_atom_str.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,160 copying pele_platform/Examples/checker/input_pele_exec.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,164 copying pele_platform/Examples/checker/input_rotamer.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,169 copying pele_platform/Examples/checker/input_space.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,173 copying pele_platform/Examples/checker/input_tab.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,178 copying pele_platform/Examples/checker/input_template.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,183 copying pele_platform/Examples/checker/input_underscore.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,188 copying pele_platform/Examples/checker/input_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,192 copying pele_platform/Examples/checker/ligand2.pdb -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,198 copying pele_platform/Examples/checker/mapping_complex.pdb -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,261 copying pele_platform/Examples/checker/multiple_simulations.yaml -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,266 copying pele_platform/Examples/checker/negative_residues.pdb -> build/lib/pele_platform/Examples/checker 2021-09-03T17:50:06,270 creating build/lib/pele_platform/Examples/clustering 2021-09-03T17:50:06,272 copying pele_platform/Examples/clustering/summary.csv -> build/lib/pele_platform/Examples/clustering 2021-09-03T17:50:06,278 creating build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,281 copying pele_platform/Examples/clustering/0/report_1 -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,287 copying pele_platform/Examples/clustering/0/report_2 -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,294 copying pele_platform/Examples/clustering/0/report_3 -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,299 copying pele_platform/Examples/clustering/0/report_4 -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,303 copying pele_platform/Examples/clustering/0/topologyMapping.txt -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,308 copying pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,376 copying pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,412 copying pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,480 copying pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-09-03T17:50:06,551 creating build/lib/pele_platform/Examples/clustering/0/clustering 2021-09-03T17:50:06,554 copying pele_platform/Examples/clustering/0/clustering/object.pkl -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-09-03T17:50:06,780 copying pele_platform/Examples/clustering/0/clustering/summary.txt -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-09-03T17:50:06,786 creating build/lib/pele_platform/Examples/clustering_xtc 2021-09-03T17:50:06,788 copying pele_platform/Examples/clustering_xtc/water_clustering.yaml -> build/lib/pele_platform/Examples/clustering_xtc 2021-09-03T17:50:06,795 creating build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,798 copying pele_platform/Examples/clustering_xtc/0/report_1 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,805 copying pele_platform/Examples/clustering_xtc/0/report_2 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,811 copying pele_platform/Examples/clustering_xtc/0/report_3 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,816 copying pele_platform/Examples/clustering_xtc/0/report_4 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,820 copying pele_platform/Examples/clustering_xtc/0/topology.pdb -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,858 copying pele_platform/Examples/clustering_xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,868 copying pele_platform/Examples/clustering_xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,877 copying pele_platform/Examples/clustering_xtc/0/trajectory_3.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,887 copying pele_platform/Examples/clustering_xtc/0/trajectory_4.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:06,897 creating build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:06,900 copying pele_platform/Examples/constraints/1zop.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:06,931 copying pele_platform/Examples/constraints/4l3a_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:06,982 copying pele_platform/Examples/constraints/4qnr_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,033 copying pele_platform/Examples/constraints/4w4o_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,066 copying pele_platform/Examples/constraints/4w5i_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,097 copying pele_platform/Examples/constraints/4zu9_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,205 copying pele_platform/Examples/constraints/ca_constraints.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,269 copying pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,313 copying pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,319 copying pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,325 copying pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,331 copying pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,337 copying pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,344 copying pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,350 copying pele_platform/Examples/constraints/input_external_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,356 copying pele_platform/Examples/constraints/input_ignore.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,360 copying pele_platform/Examples/constraints/input_k.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,365 copying pele_platform/Examples/constraints/input_metals.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,369 copying pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,374 copying pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,379 copying pele_platform/Examples/constraints/input_smiles_error.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,385 copying pele_platform/Examples/constraints/input_square_planar.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,392 copying pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,398 copying pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,405 copying pele_platform/Examples/constraints/no_connects.pdb -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,411 copying pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-09-03T17:50:07,417 creating build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,419 copying pele_platform/Examples/covalent_docking/5XXD_prepared.pdb -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,478 copying pele_platform/Examples/covalent_docking/6M06_prepared.pdb -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,531 copying pele_platform/Examples/covalent_docking/6P0M_prepared.pdb -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,569 copying pele_platform/Examples/covalent_docking/input1.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,575 copying pele_platform/Examples/covalent_docking/input2.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,582 copying pele_platform/Examples/covalent_docking/input3.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,588 copying pele_platform/Examples/covalent_docking/input_defaults.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,594 copying pele_platform/Examples/covalent_docking/input_defaults_refinement.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-09-03T17:50:07,600 creating build/lib/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:07,602 copying pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:07,607 copying pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:07,611 copying pele_platform/Examples/enzyme_engineering/wrong_cpus.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:07,615 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-09-03T17:50:07,617 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-09-03T17:50:07,623 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-09-03T17:50:07,625 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 2021-09-03T17:50:07,632 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 2021-09-03T17:50:07,638 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 2021-09-03T17:50:07,645 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 2021-09-03T17:50:07,650 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-09-03T17:50:07,650 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-09-03T17:50:07,653 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 2021-09-03T17:50:07,658 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-09-03T17:50:07,658 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-09-03T17:50:07,660 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-09-03T17:50:07,663 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 2021-09-03T17:50:07,671 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-09-03T17:50:07,674 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 2021-09-03T17:50:07,737 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 2021-09-03T17:50:07,801 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 2021-09-03T17:50:07,865 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 2021-09-03T17:50:07,928 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 2021-09-03T17:50:07,935 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 2021-09-03T17:50:07,998 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-09-03T17:50:08,001 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 2021-09-03T17:50:08,007 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-09-03T17:50:08,010 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 2021-09-03T17:50:08,016 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-09-03T17:50:08,018 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 2021-09-03T17:50:08,022 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 2021-09-03T17:50:08,027 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-09-03T17:50:08,029 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 2021-09-03T17:50:08,034 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 2021-09-03T17:50:08,040 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 2021-09-03T17:50:08,159 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 2021-09-03T17:50:08,276 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-09-03T17:50:08,279 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 2021-09-03T17:50:08,286 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 2021-09-03T17:50:08,292 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 2021-09-03T17:50:08,412 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 2021-09-03T17:50:08,531 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-09-03T17:50:08,534 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 2021-09-03T17:50:08,541 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-09-03T17:50:08,543 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 2021-09-03T17:50:08,653 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 2021-09-03T17:50:08,717 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 2021-09-03T17:50:08,777 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-09-03T17:50:08,780 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 2021-09-03T17:50:08,789 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 2021-09-03T17:50:08,851 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 2021-09-03T17:50:08,910 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-09-03T17:50:08,912 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 2021-09-03T17:50:08,917 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 2021-09-03T17:50:08,923 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 2021-09-03T17:50:08,930 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 2021-09-03T17:50:08,936 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-09-03T17:50:08,939 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 2021-09-03T17:50:09,003 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 2021-09-03T17:50:09,066 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 2021-09-03T17:50:09,073 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 2021-09-03T17:50:09,136 creating build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:09,138 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:09,202 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:09,265 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:09,329 creating build/lib/pele_platform/Examples/exit 2021-09-03T17:50:09,331 copying pele_platform/Examples/exit/input.yaml -> build/lib/pele_platform/Examples/exit 2021-09-03T17:50:09,338 copying pele_platform/Examples/exit/input_defaults.yaml -> build/lib/pele_platform/Examples/exit 2021-09-03T17:50:09,345 creating build/lib/pele_platform/Examples/exit_soft 2021-09-03T17:50:09,347 copying pele_platform/Examples/exit_soft/input.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-09-03T17:50:09,354 copying pele_platform/Examples/exit_soft/input_defaults.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-09-03T17:50:09,360 creating build/lib/pele_platform/Examples/flags 2021-09-03T17:50:09,362 copying pele_platform/Examples/flags/input.yaml -> build/lib/pele_platform/Examples/flags 2021-09-03T17:50:09,369 creating build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,371 copying pele_platform/Examples/frag/1dyi_no_waters.pdb -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,398 copying pele_platform/Examples/frag/1dyi_waters.pdb -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,425 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,475 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,524 copying pele_platform/Examples/frag/amino.pdb -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,530 copying pele_platform/Examples/frag/core.pdb -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,537 copying pele_platform/Examples/frag/flags.conf -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,543 copying pele_platform/Examples/frag/input_ai.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,549 copying pele_platform/Examples/frag/input_core.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,556 copying pele_platform/Examples/frag/input_core_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,562 copying pele_platform/Examples/frag/input_flags.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,567 copying pele_platform/Examples/frag/input_frag_waters.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,571 copying pele_platform/Examples/frag/input_fragment_atom.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,576 copying pele_platform/Examples/frag/input_lib_pdb.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,581 copying pele_platform/Examples/frag/input_lib_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,587 copying pele_platform/Examples/frag/input_point_analysis.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,593 copying pele_platform/Examples/frag/input_sim.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,600 copying pele_platform/Examples/frag/input_sim_xtc.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,606 copying pele_platform/Examples/frag/input_symmetry.yaml -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,612 copying pele_platform/Examples/frag/ligands.sdf -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,619 copying pele_platform/Examples/frag/ligands_water.sdf -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,627 copying pele_platform/Examples/frag/sequential.conf -> build/lib/pele_platform/Examples/frag 2021-09-03T17:50:09,633 creating build/lib/pele_platform/Examples/frag/analysis_data 2021-09-03T17:50:09,635 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-09-03T17:50:09,636 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-09-03T17:50:09,640 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 2021-09-03T17:50:09,689 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 2021-09-03T17:50:09,737 creating build/lib/pele_platform/Examples/frag/checker 2021-09-03T17:50:09,739 copying pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/checker 2021-09-03T17:50:09,745 copying pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-09-03T17:50:09,752 copying pele_platform/Examples/frag/checker/receptor.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-09-03T17:50:09,784 creating build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-09-03T17:50:09,786 copying pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-09-03T17:50:09,793 copying pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-09-03T17:50:09,800 creating build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,803 copying pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,815 copying pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,865 copying pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,914 copying pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,921 copying pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,960 copying pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,978 copying pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,985 copying pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:09,992 copying pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,004 copying pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,011 copying pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,020 copying pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,025 copying pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,035 copying pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,040 copying pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,045 copying pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:10,120 creating build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-09-03T17:50:10,122 copying pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-09-03T17:50:10,127 creating build/lib/pele_platform/Examples/global 2021-09-03T17:50:10,129 copying pele_platform/Examples/global/input.yaml -> build/lib/pele_platform/Examples/global 2021-09-03T17:50:10,135 copying pele_platform/Examples/global/input_defaults.yaml -> build/lib/pele_platform/Examples/global 2021-09-03T17:50:10,142 copying pele_platform/Examples/global/input_inputs.yaml -> build/lib/pele_platform/Examples/global 2021-09-03T17:50:10,149 copying pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/lib/pele_platform/Examples/global 2021-09-03T17:50:10,154 creating build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,156 copying pele_platform/Examples/gpcr/complex.pdb -> build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,199 copying pele_platform/Examples/gpcr/complex_processed.pdb -> build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,243 copying pele_platform/Examples/gpcr/input.yaml -> build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,250 copying pele_platform/Examples/gpcr/input_atom_error.yaml -> build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,256 copying pele_platform/Examples/gpcr/input_defaults.yaml -> build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,261 copying pele_platform/Examples/gpcr/input_defaults2.yaml -> build/lib/pele_platform/Examples/gpcr 2021-09-03T17:50:10,265 creating build/lib/pele_platform/Examples/induced_fit 2021-09-03T17:50:10,267 copying pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-09-03T17:50:10,273 copying pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-09-03T17:50:10,279 copying pele_platform/Examples/induced_fit/input_fast.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-09-03T17:50:10,286 copying pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-09-03T17:50:10,292 copying pele_platform/Examples/induced_fit/input_mae.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-09-03T17:50:10,298 creating build/lib/pele_platform/Examples/inputs 2021-09-03T17:50:10,300 copying pele_platform/Examples/inputs/input.yaml -> build/lib/pele_platform/Examples/inputs 2021-09-03T17:50:10,305 copying pele_platform/Examples/inputs/mn4.sl -> build/lib/pele_platform/Examples/inputs 2021-09-03T17:50:10,309 copying pele_platform/Examples/inputs/nord3.sge -> build/lib/pele_platform/Examples/inputs 2021-09-03T17:50:10,314 creating build/lib/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:10,317 copying pele_platform/Examples/interaction_restrictions/complex.pdb -> build/lib/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:10,384 copying pele_platform/Examples/interaction_restrictions/input.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:10,389 copying pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:10,393 copying pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:10,400 creating build/lib/pele_platform/Examples/interaction_restrictions/out 2021-09-03T17:50:10,402 copying pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-09-03T17:50:10,410 copying pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-09-03T17:50:10,416 creating build/lib/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:10,418 copying pele_platform/Examples/ligand_conformations/1.pdb -> build/lib/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:10,424 copying pele_platform/Examples/ligand_conformations/2.pdb -> build/lib/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:10,429 copying pele_platform/Examples/ligand_conformations/3.pdb -> build/lib/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:10,435 copying pele_platform/Examples/ligand_conformations/input.yaml -> build/lib/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:10,441 creating build/lib/pele_platform/Examples/minimum_steps 2021-09-03T17:50:10,444 copying pele_platform/Examples/minimum_steps/complex.pdb -> build/lib/pele_platform/Examples/minimum_steps 2021-09-03T17:50:10,514 copying pele_platform/Examples/minimum_steps/input.yaml -> build/lib/pele_platform/Examples/minimum_steps 2021-09-03T17:50:10,519 creating build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,521 copying pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,561 copying pele_platform/Examples/out_in/input.yaml -> build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,568 copying pele_platform/Examples/out_in/input_box_center.yaml -> build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,574 copying pele_platform/Examples/out_in/input_default.yaml -> build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,580 copying pele_platform/Examples/out_in/input_flag_error.yaml -> build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,585 copying pele_platform/Examples/out_in/input_metrics.yaml -> build/lib/pele_platform/Examples/out_in 2021-09-03T17:50:10,589 creating build/lib/pele_platform/Examples/pca 2021-09-03T17:50:10,591 copying pele_platform/Examples/pca/1.pdb -> build/lib/pele_platform/Examples/pca 2021-09-03T17:50:10,632 copying pele_platform/Examples/pca/2.pdb -> build/lib/pele_platform/Examples/pca 2021-09-03T17:50:10,672 copying pele_platform/Examples/pca/3.pdb -> build/lib/pele_platform/Examples/pca 2021-09-03T17:50:10,713 copying pele_platform/Examples/pca/input.yaml -> build/lib/pele_platform/Examples/pca 2021-09-03T17:50:10,720 copying pele_platform/Examples/pca/input_str.yaml -> build/lib/pele_platform/Examples/pca 2021-09-03T17:50:10,726 creating build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,728 copying pele_platform/Examples/preparation/6qmk_correct.pdb -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,778 copying pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,836 copying pele_platform/Examples/preparation/complex.pdb -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,875 copying pele_platform/Examples/preparation/complex_2.pdb -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,937 copying pele_platform/Examples/preparation/input.yaml -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,944 copying pele_platform/Examples/preparation/input_nonstandard.yaml -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,950 copying pele_platform/Examples/preparation/input_space.yaml -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,957 copying pele_platform/Examples/preparation/parametrization_flags.yaml -> build/lib/pele_platform/Examples/preparation 2021-09-03T17:50:10,964 creating build/lib/pele_platform/Examples/production 2021-09-03T17:50:10,967 copying pele_platform/Examples/production/input.sl -> build/lib/pele_platform/Examples/production 2021-09-03T17:50:10,974 copying pele_platform/Examples/production/input_mae.yaml -> build/lib/pele_platform/Examples/production 2021-09-03T17:50:10,981 creating build/lib/pele_platform/Examples/rescoring 2021-09-03T17:50:10,984 copying pele_platform/Examples/rescoring/input.yaml -> build/lib/pele_platform/Examples/rescoring 2021-09-03T17:50:10,989 copying pele_platform/Examples/rescoring/input_defaults.yaml -> build/lib/pele_platform/Examples/rescoring 2021-09-03T17:50:10,993 creating build/lib/pele_platform/Examples/restart 2021-09-03T17:50:10,995 copying pele_platform/Examples/restart/restart.yaml -> build/lib/pele_platform/Examples/restart 2021-09-03T17:50:11,000 creating build/lib/pele_platform/Examples/singularity 2021-09-03T17:50:11,002 copying pele_platform/Examples/singularity/input_adaptive.yaml -> build/lib/pele_platform/Examples/singularity 2021-09-03T17:50:11,009 copying pele_platform/Examples/singularity/input_frag.yaml -> build/lib/pele_platform/Examples/singularity 2021-09-03T17:50:11,015 creating build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,018 copying pele_platform/Examples/site_finder/complex.pdb -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,067 copying pele_platform/Examples/site_finder/global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,071 copying pele_platform/Examples/site_finder/input_folder.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,076 copying pele_platform/Examples/site_finder/input_global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,081 copying pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,086 copying pele_platform/Examples/site_finder/input_restart.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,092 copying pele_platform/Examples/site_finder/input_skipref.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,099 copying pele_platform/Examples/site_finder/local.yaml -> build/lib/pele_platform/Examples/site_finder 2021-09-03T17:50:11,105 creating build/lib/pele_platform/Examples/tutorials 2021-09-03T17:50:11,107 creating build/lib/pele_platform/Examples/tutorials/gpcr 2021-09-03T17:50:11,109 copying pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-09-03T17:50:11,150 copying pele_platform/Examples/tutorials/gpcr/input.yaml -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-09-03T17:50:11,155 creating build/lib/pele_platform/Examples/tutorials/induced_fit 2021-09-03T17:50:11,157 copying pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-09-03T17:50:11,222 copying pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-09-03T17:50:11,228 creating build/lib/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:11,231 copying pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:11,239 copying pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:11,266 copying pele_platform/Examples/tutorials/ppi/input.yaml -> build/lib/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:11,273 creating build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,276 copying pele_platform/Examples/water/complex_induced.pdb -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,296 copying pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,341 copying pele_platform/Examples/water/input_all.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,346 copying pele_platform/Examples/water/input_bs.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,351 copying pele_platform/Examples/water/input_bs_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,358 copying pele_platform/Examples/water/input_induced.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,364 copying pele_platform/Examples/water/input_lig.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,371 copying pele_platform/Examples/water/input_lig_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,378 copying pele_platform/Examples/water/input_nwaters.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,384 copying pele_platform/Examples/water/input_previous_water.yaml -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,391 copying pele_platform/Examples/water/water2_pele.conf -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,396 copying pele_platform/Examples/water/water_pele.conf -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,401 copying pele_platform/Examples/water/water_processed.pdb -> build/lib/pele_platform/Examples/water 2021-09-03T17:50:11,450 creating build/lib/pele_platform/Templates 2021-09-03T17:50:11,453 copying pele_platform/Templates/pele_template.conf -> build/lib/pele_platform/Templates 2021-09-03T17:50:11,461 copying pele_platform/Templates/solventParamsHCTOBC.txt -> build/lib/pele_platform/Templates 2021-09-03T17:50:11,474 copying pele_platform/Templates/template_adaptive.conf -> build/lib/pele_platform/Templates 2021-09-03T17:50:11,524 UPDATING build/lib/pele_platform/_version.py 2021-09-03T17:50:11,527 set build/lib/pele_platform/_version.py to '1.6.0' 2021-09-03T17:50:11,533 installing to build/bdist.linux-armv7l/wheel 2021-09-03T17:50:11,534 running install 2021-09-03T17:50:11,536 running install_lib 2021-09-03T17:50:11,544 creating build/bdist.linux-armv7l 2021-09-03T17:50:11,545 creating build/bdist.linux-armv7l/wheel 2021-09-03T17:50:11,549 creating build/bdist.linux-armv7l/wheel/pele_platform 2021-09-03T17:50:11,552 creating build/bdist.linux-armv7l/wheel/pele_platform/features 2021-09-03T17:50:11,554 copying build/lib/pele_platform/features/adaptive.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-09-03T17:50:11,560 copying build/lib/pele_platform/features/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-09-03T17:50:11,563 copying build/lib/pele_platform/features/frag.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-09-03T17:50:11,568 creating build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-09-03T17:50:11,570 copying build/lib/pele_platform/out_in/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-09-03T17:50:11,574 copying build/lib/pele_platform/out_in/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-09-03T17:50:11,580 creating build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-09-03T17:50:11,583 copying build/lib/pele_platform/Errors/custom_errors.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-09-03T17:50:11,589 copying build/lib/pele_platform/Errors/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-09-03T17:50:11,593 copying build/lib/pele_platform/_version.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-09-03T17:50:11,600 creating build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,603 copying build/lib/pele_platform/analysis/data.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,613 copying build/lib/pele_platform/analysis/plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,620 copying build/lib/pele_platform/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,626 copying build/lib/pele_platform/analysis/pdf_report.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,631 copying build/lib/pele_platform/analysis/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,644 copying build/lib/pele_platform/analysis/clustering.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,652 copying build/lib/pele_platform/analysis/interactive_plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-09-03T17:50:11,660 copying build/lib/pele_platform/main.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-09-03T17:50:11,667 creating build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-09-03T17:50:11,669 copying build/lib/pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-09-03T17:50:11,676 copying build/lib/pele_platform/enzyme_engineering/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-09-03T17:50:11,681 copying build/lib/pele_platform/plotter.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-09-03T17:50:11,692 copying build/lib/pele_platform/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-09-03T17:50:11,698 creating build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-09-03T17:50:11,700 copying build/lib/pele_platform/Templates/template_adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-09-03T17:50:11,704 copying build/lib/pele_platform/Templates/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-09-03T17:50:11,715 copying build/lib/pele_platform/Templates/pele_template.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-09-03T17:50:11,722 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-09-03T17:50:11,726 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,729 copying build/lib/pele_platform/Utilities/Helpers/bestStructs.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,736 copying build/lib/pele_platform/Utilities/Helpers/map_atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,741 copying build/lib/pele_platform/Utilities/Helpers/launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,746 copying build/lib/pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,751 copying build/lib/pele_platform/Utilities/Helpers/protein_wizard.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,755 copying build/lib/pele_platform/Utilities/Helpers/yaml_parser.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,763 copying build/lib/pele_platform/Utilities/Helpers/interaction_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,768 copying build/lib/pele_platform/Utilities/Helpers/plop_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,774 copying build/lib/pele_platform/Utilities/Helpers/center_of_mass.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,780 copying build/lib/pele_platform/Utilities/Helpers/randomize.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,787 copying build/lib/pele_platform/Utilities/Helpers/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,794 copying build/lib/pele_platform/Utilities/Helpers/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,801 copying build/lib/pele_platform/Utilities/Helpers/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,807 copying build/lib/pele_platform/Utilities/Helpers/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,814 copying build/lib/pele_platform/Utilities/Helpers/system_prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,821 copying build/lib/pele_platform/Utilities/Helpers/missing_residues.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,826 copying build/lib/pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,835 copying build/lib/pele_platform/Utilities/Helpers/ligand_conformations.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,840 copying build/lib/pele_platform/Utilities/Helpers/conda_deployment.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,847 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:11,850 copying build/lib/pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:11,857 copying build/lib/pele_platform/Utilities/Helpers/constraints/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:11,862 copying build/lib/pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-09-03T17:50:11,870 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:11,872 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:11,880 copying build/lib/pele_platform/Utilities/Helpers/Metals/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:11,883 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-09-03T17:50:11,887 copying build/lib/pele_platform/Utilities/Helpers/template_builder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-09-03T17:50:11,891 copying build/lib/pele_platform/Utilities/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-09-03T17:50:11,896 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-09-03T17:50:11,899 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-09-03T17:50:11,901 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-09-03T17:50:11,906 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-09-03T17:50:11,912 copying build/lib/pele_platform/Utilities/Parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-09-03T17:50:11,919 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-09-03T17:50:11,921 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-09-03T17:50:11,929 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-09-03T17:50:11,931 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-09-03T17:50:11,936 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-09-03T17:50:11,940 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-09-03T17:50:11,942 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-09-03T17:50:11,948 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-09-03T17:50:11,954 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-09-03T17:50:11,957 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-09-03T17:50:11,961 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-09-03T17:50:11,966 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-09-03T17:50:11,970 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-09-03T17:50:11,972 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-09-03T17:50:11,976 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-09-03T17:50:11,981 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-09-03T17:50:11,984 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-09-03T17:50:11,989 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-09-03T17:50:11,996 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-09-03T17:50:11,998 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 2021-09-03T17:50:12,004 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-09-03T17:50:12,008 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-09-03T17:50:12,010 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-09-03T17:50:12,014 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-09-03T17:50:12,018 copying build/lib/pele_platform/Utilities/Parameters/parameters.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-09-03T17:50:12,026 creating build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-09-03T17:50:12,029 copying build/lib/pele_platform/constants/constants.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-09-03T17:50:12,036 copying build/lib/pele_platform/constants/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-09-03T17:50:12,041 copying build/lib/pele_platform/constants/pele_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-09-03T17:50:12,048 creating build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,050 copying build/lib/pele_platform/Checker/valid_flags.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,055 copying build/lib/pele_platform/Checker/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,060 copying build/lib/pele_platform/Checker/pdb_checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,065 copying build/lib/pele_platform/Checker/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,069 copying build/lib/pele_platform/Checker/python_version.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,075 copying build/lib/pele_platform/Checker/environment_variables.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,080 copying build/lib/pele_platform/Checker/executable.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-09-03T17:50:12,086 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,088 copying build/lib/pele_platform/Frag/atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,092 copying build/lib/pele_platform/Frag/checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,096 copying build/lib/pele_platform/Frag/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,101 copying build/lib/pele_platform/Frag/fragments.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,107 copying build/lib/pele_platform/Frag/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,115 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,118 copying build/lib/pele_platform/Frag/parameters/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,124 copying build/lib/pele_platform/Frag/parameters/optional.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,128 copying build/lib/pele_platform/Frag/parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,132 copying build/lib/pele_platform/Frag/parameters/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,136 copying build/lib/pele_platform/Frag/parameters/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,140 copying build/lib/pele_platform/Frag/parameters/files.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-09-03T17:50:12,144 copying build/lib/pele_platform/Frag/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,149 copying build/lib/pele_platform/Frag/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,155 copying build/lib/pele_platform/Frag/generative_model.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,160 copying build/lib/pele_platform/Frag/libraries.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-09-03T17:50:12,167 creating build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-09-03T17:50:12,169 copying build/lib/pele_platform/RNA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-09-03T17:50:12,173 copying build/lib/pele_platform/RNA/prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-09-03T17:50:12,179 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-09-03T17:50:12,182 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-09-03T17:50:12,184 copying build/lib/pele_platform/Examples/production/input.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-09-03T17:50:12,190 copying build/lib/pele_platform/Examples/production/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-09-03T17:50:12,197 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-09-03T17:50:12,200 copying build/lib/pele_platform/Examples/bias/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-09-03T17:50:12,238 copying build/lib/pele_platform/Examples/bias/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-09-03T17:50:12,245 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,247 copying build/lib/pele_platform/Examples/out_in/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,253 copying build/lib/pele_platform/Examples/out_in/input_flag_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,258 copying build/lib/pele_platform/Examples/out_in/input_default.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,263 copying build/lib/pele_platform/Examples/out_in/input_metrics.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,268 copying build/lib/pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,306 copying build/lib/pele_platform/Examples/out_in/input_box_center.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-09-03T17:50:12,311 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-09-03T17:50:12,313 copying build/lib/pele_platform/Examples/restart/restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-09-03T17:50:12,318 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-09-03T17:50:12,321 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,324 copying build/lib/pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,391 copying build/lib/pele_platform/Examples/clustering/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,396 copying build/lib/pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,468 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-09-03T17:50:12,471 copying build/lib/pele_platform/Examples/clustering/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-09-03T17:50:12,701 copying build/lib/pele_platform/Examples/clustering/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-09-03T17:50:12,705 copying build/lib/pele_platform/Examples/clustering/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,709 copying build/lib/pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,745 copying build/lib/pele_platform/Examples/clustering/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,751 copying build/lib/pele_platform/Examples/clustering/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,756 copying build/lib/pele_platform/Examples/clustering/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,761 copying build/lib/pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-09-03T17:50:12,831 copying build/lib/pele_platform/Examples/clustering/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-09-03T17:50:12,836 copying build/lib/pele_platform/Examples/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-09-03T17:50:12,843 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-09-03T17:50:12,846 copying build/lib/pele_platform/Examples/exit_soft/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-09-03T17:50:12,851 copying build/lib/pele_platform/Examples/exit_soft/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-09-03T17:50:12,858 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc 2021-09-03T17:50:12,860 copying build/lib/pele_platform/Examples/clustering_xtc/water_clustering.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc 2021-09-03T17:50:12,868 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,870 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_1.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,880 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,885 copying build/lib/pele_platform/Examples/clustering_xtc/0/topology.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,923 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_2.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,930 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_4.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,939 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,944 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_3.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,954 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,959 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-09-03T17:50:12,966 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/minimum_steps 2021-09-03T17:50:12,968 copying build/lib/pele_platform/Examples/minimum_steps/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/minimum_steps 2021-09-03T17:50:12,974 copying build/lib/pele_platform/Examples/minimum_steps/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/minimum_steps 2021-09-03T17:50:13,042 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-09-03T17:50:13,045 copying build/lib/pele_platform/Examples/inputs/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-09-03T17:50:13,050 copying build/lib/pele_platform/Examples/inputs/mn4.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-09-03T17:50:13,056 copying build/lib/pele_platform/Examples/inputs/nord3.sge -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-09-03T17:50:13,063 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:13,065 copying build/lib/pele_platform/Examples/ligand_conformations/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:13,071 copying build/lib/pele_platform/Examples/ligand_conformations/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:13,076 copying build/lib/pele_platform/Examples/ligand_conformations/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:13,082 copying build/lib/pele_platform/Examples/ligand_conformations/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-09-03T17:50:13,089 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-09-03T17:50:13,091 copying build/lib/pele_platform/Examples/analysis/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-09-03T17:50:13,097 copying build/lib/pele_platform/Examples/analysis/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-09-03T17:50:13,102 copying build/lib/pele_platform/Examples/analysis/input_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-09-03T17:50:13,108 copying build/lib/pele_platform/Examples/analysis/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-09-03T17:50:13,115 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,117 copying build/lib/pele_platform/Examples/analysis/data/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,123 copying build/lib/pele_platform/Examples/analysis/data/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,127 copying build/lib/pele_platform/Examples/analysis/data/MG.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,131 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:13,133 copying build/lib/pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:13,170 copying build/lib/pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:13,206 copying build/lib/pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-09-03T17:50:13,244 copying build/lib/pele_platform/Examples/analysis/data/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,249 copying build/lib/pele_platform/Examples/analysis/data/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,254 copying build/lib/pele_platform/Examples/analysis/data/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,258 copying build/lib/pele_platform/Examples/analysis/data/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,264 copying build/lib/pele_platform/Examples/analysis/data/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,268 copying build/lib/pele_platform/Examples/analysis/data/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,273 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-09-03T17:50:13,276 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:13,278 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 2021-09-03T17:50:13,283 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:13,288 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 2021-09-03T17:50:13,295 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-09-03T17:50:13,302 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-09-03T17:50:13,305 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 2021-09-03T17:50:13,321 copying build/lib/pele_platform/Examples/analysis/data/xtc/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-09-03T17:50:13,327 copying build/lib/pele_platform/Examples/analysis/data/mgz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-09-03T17:50:13,333 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-09-03T17:50:13,337 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-09-03T17:50:13,339 copying build/lib/pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-09-03T17:50:13,345 copying build/lib/pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-09-03T17:50:13,351 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:13,354 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-09-03T17:50:13,356 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 2021-09-03T17:50:13,392 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 2021-09-03T17:50:13,396 copying build/lib/pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:13,400 copying build/lib/pele_platform/Examples/analysis/data/output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-09-03T17:50:13,404 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 2021-09-03T17:50:13,441 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-09-03T17:50:13,442 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 2021-09-03T17:50:13,479 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-09-03T17:50:13,512 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output 2021-09-03T17:50:13,515 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-09-03T17:50:13,517 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 2021-09-03T17:50:13,522 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 2021-09-03T17:50:13,526 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 2021-09-03T17:50:13,636 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 2021-09-03T17:50:13,641 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 2021-09-03T17:50:13,686 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-09-03T17:50:13,689 copying build/lib/pele_platform/Examples/pca/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-09-03T17:50:13,695 copying build/lib/pele_platform/Examples/pca/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-09-03T17:50:13,736 copying build/lib/pele_platform/Examples/pca/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-09-03T17:50:13,777 copying build/lib/pele_platform/Examples/pca/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-09-03T17:50:13,819 copying build/lib/pele_platform/Examples/pca/input_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-09-03T17:50:13,826 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:13,830 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-09-03T17:50:13,833 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-09-03T17:50:13,839 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-09-03T17:50:13,843 copying build/lib/pele_platform/Examples/interaction_restrictions/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:13,847 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:13,851 copying build/lib/pele_platform/Examples/interaction_restrictions/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:13,915 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-09-03T17:50:13,922 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials 2021-09-03T17:50:13,926 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-09-03T17:50:13,929 copying build/lib/pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-09-03T17:50:13,935 copying build/lib/pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-09-03T17:50:14,002 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-09-03T17:50:14,003 copying build/lib/pele_platform/Examples/tutorials/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-09-03T17:50:14,009 copying build/lib/pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-09-03T17:50:14,054 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:14,056 copying build/lib/pele_platform/Examples/tutorials/ppi/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:14,061 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:14,087 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-09-03T17:50:14,093 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-09-03T17:50:14,095 copying build/lib/pele_platform/Examples/global/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-09-03T17:50:14,099 copying build/lib/pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-09-03T17:50:14,102 copying build/lib/pele_platform/Examples/global/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-09-03T17:50:14,106 copying build/lib/pele_platform/Examples/global/input_inputs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-09-03T17:50:14,113 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,116 copying build/lib/pele_platform/Examples/Msm/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,121 copying build/lib/pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,160 copying build/lib/pele_platform/Examples/Msm/AS4_INIT.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,167 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,204 copying build/lib/pele_platform/Examples/Msm/PR_AS4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,240 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-09-03T17:50:14,277 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:14,279 copying build/lib/pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:14,283 copying build/lib/pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:14,287 copying build/lib/pele_platform/Examples/enzyme_engineering/wrong_cpus.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-09-03T17:50:14,293 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-09-03T17:50:14,298 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-09-03T17:50:14,301 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 2021-09-03T17:50:14,308 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-09-03T17:50:14,310 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 2021-09-03T17:50:14,369 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 2021-09-03T17:50:14,431 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 2021-09-03T17:50:14,494 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 2021-09-03T17:50:14,499 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 2021-09-03T17:50:14,505 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 2021-09-03T17:50:14,510 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 2021-09-03T17:50:14,516 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 2021-09-03T17:50:14,523 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-09-03T17:50:14,525 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 2021-09-03T17:50:14,533 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-09-03T17:50:14,535 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 2021-09-03T17:50:14,594 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 2021-09-03T17:50:14,657 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 2021-09-03T17:50:14,718 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 2021-09-03T17:50:14,777 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 2021-09-03T17:50:14,839 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 2021-09-03T17:50:14,847 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-09-03T17:50:14,851 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-09-03T17:50:14,854 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 2021-09-03T17:50:14,860 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-09-03T17:50:14,863 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-09-03T17:50:14,867 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-09-03T17:50:14,869 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 2021-09-03T17:50:14,875 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 2021-09-03T17:50:14,882 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-09-03T17:50:14,884 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 2021-09-03T17:50:14,947 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 2021-09-03T17:50:15,020 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 2021-09-03T17:50:15,026 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 2021-09-03T17:50:15,032 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 2021-09-03T17:50:15,037 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-09-03T17:50:15,040 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-09-03T17:50:15,043 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 2021-09-03T17:50:15,050 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-09-03T17:50:15,053 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 2021-09-03T17:50:15,171 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 2021-09-03T17:50:15,177 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 2021-09-03T17:50:15,182 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 2021-09-03T17:50:15,299 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 2021-09-03T17:50:15,304 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-09-03T17:50:15,307 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-09-03T17:50:15,309 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 2021-09-03T17:50:15,314 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 2021-09-03T17:50:15,318 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 2021-09-03T17:50:15,325 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-09-03T17:50:15,328 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 2021-09-03T17:50:15,391 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 2021-09-03T17:50:15,452 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 2021-09-03T17:50:15,556 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-09-03T17:50:15,559 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 2021-09-03T17:50:15,676 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 2021-09-03T17:50:15,680 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 2021-09-03T17:50:15,798 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 2021-09-03T17:50:15,805 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:15,808 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:15,870 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:15,929 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-09-03T17:50:15,993 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-09-03T17:50:15,996 copying build/lib/pele_platform/Examples/exit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-09-03T17:50:16,002 copying build/lib/pele_platform/Examples/exit/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-09-03T17:50:16,010 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,012 copying build/lib/pele_platform/Examples/frag/input_sim.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,018 copying build/lib/pele_platform/Examples/frag/1dyi_waters.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,044 copying build/lib/pele_platform/Examples/frag/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,054 copying build/lib/pele_platform/Examples/frag/input_ai.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,059 copying build/lib/pele_platform/Examples/frag/input_fragment_atom.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,065 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-09-03T17:50:16,068 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 2021-09-03T17:50:16,074 copying build/lib/pele_platform/Examples/frag/sequential.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,079 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,129 copying build/lib/pele_platform/Examples/frag/flags.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,132 copying build/lib/pele_platform/Examples/frag/input_lib_pdb.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,136 copying build/lib/pele_platform/Examples/frag/ligands.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,140 copying build/lib/pele_platform/Examples/frag/input_symmetry.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,144 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,195 copying build/lib/pele_platform/Examples/frag/input_core.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,200 copying build/lib/pele_platform/Examples/frag/input_lib_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,206 copying build/lib/pele_platform/Examples/frag/core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,213 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-09-03T17:50:16,215 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-09-03T17:50:16,221 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-09-03T17:50:16,227 copying build/lib/pele_platform/Examples/frag/input_point_analysis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,232 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data 2021-09-03T17:50:16,235 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-09-03T17:50:16,238 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-09-03T17:50:16,240 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 2021-09-03T17:50:16,288 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 2021-09-03T17:50:16,338 copying build/lib/pele_platform/Examples/frag/ligands_water.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,346 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,349 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,367 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,372 copying build/lib/pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,446 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,456 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,467 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,505 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,511 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,560 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,566 copying build/lib/pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,578 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,586 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,592 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,597 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,608 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,658 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-09-03T17:50:16,662 copying build/lib/pele_platform/Examples/frag/input_frag_waters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,666 copying build/lib/pele_platform/Examples/frag/1dyi_no_waters.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,690 copying build/lib/pele_platform/Examples/frag/input_sim_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,696 copying build/lib/pele_platform/Examples/frag/input_core_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,703 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-09-03T17:50:16,706 copying build/lib/pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-09-03T17:50:16,713 copying build/lib/pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-09-03T17:50:16,719 copying build/lib/pele_platform/Examples/frag/checker/receptor.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-09-03T17:50:16,750 copying build/lib/pele_platform/Examples/frag/amino.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-09-03T17:50:16,757 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-09-03T17:50:16,759 copying build/lib/pele_platform/Examples/box/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-09-03T17:50:16,767 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-09-03T17:50:16,769 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-09-03T17:50:16,775 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-09-03T17:50:16,780 copying build/lib/pele_platform/Examples/induced_fit/input_fast.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-09-03T17:50:16,784 copying build/lib/pele_platform/Examples/induced_fit/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-09-03T17:50:16,787 copying build/lib/pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-09-03T17:50:16,793 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,795 copying build/lib/pele_platform/Examples/water/input_lig_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,800 copying build/lib/pele_platform/Examples/water/input_lig.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,806 copying build/lib/pele_platform/Examples/water/input_all.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,811 copying build/lib/pele_platform/Examples/water/input_previous_water.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,816 copying build/lib/pele_platform/Examples/water/water2_pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,822 copying build/lib/pele_platform/Examples/water/water_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,872 copying build/lib/pele_platform/Examples/water/input_bs_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,878 copying build/lib/pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,926 copying build/lib/pele_platform/Examples/water/complex_induced.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,945 copying build/lib/pele_platform/Examples/water/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,950 copying build/lib/pele_platform/Examples/water/input_nwaters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,956 copying build/lib/pele_platform/Examples/water/input_bs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,961 copying build/lib/pele_platform/Examples/water/water_pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-09-03T17:50:16,969 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-09-03T17:50:16,972 copying build/lib/pele_platform/Examples/RNA/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-09-03T17:50:16,977 copying build/lib/pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-09-03T17:50:17,019 copying build/lib/pele_platform/Examples/RNA/5C45_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-09-03T17:50:17,061 copying build/lib/pele_platform/Examples/RNA/2l94.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-09-03T17:50:17,067 copying build/lib/pele_platform/Examples/RNA/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-09-03T17:50:17,074 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,076 copying build/lib/pele_platform/Examples/preparation/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,082 copying build/lib/pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,137 copying build/lib/pele_platform/Examples/preparation/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,141 copying build/lib/pele_platform/Examples/preparation/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,176 copying build/lib/pele_platform/Examples/preparation/parametrization_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,180 copying build/lib/pele_platform/Examples/preparation/complex_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,238 copying build/lib/pele_platform/Examples/preparation/input_nonstandard.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,243 copying build/lib/pele_platform/Examples/preparation/6qmk_correct.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-09-03T17:50:17,293 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,296 copying build/lib/pele_platform/Examples/covalent_docking/6M06_prepared.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,348 copying build/lib/pele_platform/Examples/covalent_docking/6P0M_prepared.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,384 copying build/lib/pele_platform/Examples/covalent_docking/5XXD_prepared.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,442 copying build/lib/pele_platform/Examples/covalent_docking/input2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,447 copying build/lib/pele_platform/Examples/covalent_docking/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,452 copying build/lib/pele_platform/Examples/covalent_docking/input_defaults_refinement.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,458 copying build/lib/pele_platform/Examples/covalent_docking/input3.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,463 copying build/lib/pele_platform/Examples/covalent_docking/input1.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-09-03T17:50:17,470 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,472 copying build/lib/pele_platform/Examples/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,476 copying build/lib/pele_platform/Examples/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,517 copying build/lib/pele_platform/Examples/gpcr/complex_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,559 copying build/lib/pele_platform/Examples/gpcr/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,563 copying build/lib/pele_platform/Examples/gpcr/input_atom_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,567 copying build/lib/pele_platform/Examples/gpcr/input_defaults2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-09-03T17:50:17,572 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-09-03T17:50:17,574 copying build/lib/pele_platform/Examples/Adaptive/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-09-03T17:50:17,580 copying build/lib/pele_platform/Examples/Adaptive/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-09-03T17:50:17,585 copying build/lib/pele_platform/Examples/Adaptive/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-09-03T17:50:17,596 copying build/lib/pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-09-03T17:50:17,602 copying build/lib/pele_platform/Examples/Adaptive/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-09-03T17:50:17,609 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,611 copying build/lib/pele_platform/Examples/site_finder/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,659 copying build/lib/pele_platform/Examples/site_finder/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,664 copying build/lib/pele_platform/Examples/site_finder/input_restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,669 copying build/lib/pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,675 copying build/lib/pele_platform/Examples/site_finder/local.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,680 copying build/lib/pele_platform/Examples/site_finder/input_global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,685 copying build/lib/pele_platform/Examples/site_finder/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,690 copying build/lib/pele_platform/Examples/site_finder/global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-09-03T17:50:17,696 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,698 copying build/lib/pele_platform/Examples/PPI/1tnf_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,758 copying build/lib/pele_platform/Examples/PPI/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,763 copying build/lib/pele_platform/Examples/PPI/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,769 copying build/lib/pele_platform/Examples/PPI/1f47_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,792 copying build/lib/pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,799 copying build/lib/pele_platform/Examples/PPI/1f47_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,805 copying build/lib/pele_platform/Examples/PPI/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-09-03T17:50:17,814 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:17,816 copying build/lib/pele_platform/Examples/constraints/4qnr_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:17,869 copying build/lib/pele_platform/Examples/constraints/4zu9_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:17,983 copying build/lib/pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:17,988 copying build/lib/pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:17,994 copying build/lib/pele_platform/Examples/constraints/input_square_planar.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:17,999 copying build/lib/pele_platform/Examples/constraints/input_ignore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,004 copying build/lib/pele_platform/Examples/constraints/4w4o_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,036 copying build/lib/pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,041 copying build/lib/pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,082 copying build/lib/pele_platform/Examples/constraints/input_metals.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,086 copying build/lib/pele_platform/Examples/constraints/1zop.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,117 copying build/lib/pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,122 copying build/lib/pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,128 copying build/lib/pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,133 copying build/lib/pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,138 copying build/lib/pele_platform/Examples/constraints/ca_constraints.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,204 copying build/lib/pele_platform/Examples/constraints/input_external_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,209 copying build/lib/pele_platform/Examples/constraints/input_k.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,214 copying build/lib/pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,220 copying build/lib/pele_platform/Examples/constraints/input_smiles_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,225 copying build/lib/pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,230 copying build/lib/pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,234 copying build/lib/pele_platform/Examples/constraints/4w5i_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,266 copying build/lib/pele_platform/Examples/constraints/no_connects.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,272 copying build/lib/pele_platform/Examples/constraints/4l3a_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,326 copying build/lib/pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-09-03T17:50:18,333 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-09-03T17:50:18,336 copying build/lib/pele_platform/Examples/flags/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-09-03T17:50:18,343 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-09-03T17:50:18,346 copying build/lib/pele_platform/Examples/singularity/input_frag.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-09-03T17:50:18,351 copying build/lib/pele_platform/Examples/singularity/input_adaptive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-09-03T17:50:18,356 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-09-03T17:50:18,358 copying build/lib/pele_platform/Examples/rescoring/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-09-03T17:50:18,363 copying build/lib/pele_platform/Examples/rescoring/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-09-03T17:50:18,368 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,370 copying build/lib/pele_platform/Examples/checker/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,376 copying build/lib/pele_platform/Examples/checker/input_atom_string.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,382 copying build/lib/pele_platform/Examples/checker/complex2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,408 copying build/lib/pele_platform/Examples/checker/input_rotamer.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,415 copying build/lib/pele_platform/Examples/checker/multiple_simulations.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,421 copying build/lib/pele_platform/Examples/checker/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,428 copying build/lib/pele_platform/Examples/checker/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,475 copying build/lib/pele_platform/Examples/checker/input_pele_exec.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,481 copying build/lib/pele_platform/Examples/checker/input_template.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,488 copying build/lib/pele_platform/Examples/checker/input_map_atom_num.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,494 copying build/lib/pele_platform/Examples/checker/complex_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,559 copying build/lib/pele_platform/Examples/checker/input_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,566 copying build/lib/pele_platform/Examples/checker/input_env.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,573 copying build/lib/pele_platform/Examples/checker/input_underscore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,579 copying build/lib/pele_platform/Examples/checker/incompatible_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,583 copying build/lib/pele_platform/Examples/checker/negative_residues.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,589 copying build/lib/pele_platform/Examples/checker/input_map_atom_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,594 copying build/lib/pele_platform/Examples/checker/ligand2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,600 copying build/lib/pele_platform/Examples/checker/input_tab.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,605 copying build/lib/pele_platform/Examples/checker/mapping_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-09-03T17:50:18,671 creating build/bdist.linux-armv7l/wheel/pele_platform/covalent_docking 2021-09-03T17:50:18,675 copying build/lib/pele_platform/covalent_docking/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/covalent_docking 2021-09-03T17:50:18,684 copying build/lib/pele_platform/covalent_docking/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/covalent_docking 2021-09-03T17:50:18,691 creating build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-09-03T17:50:18,695 copying build/lib/pele_platform/gpcr/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-09-03T17:50:18,701 copying build/lib/pele_platform/gpcr/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-09-03T17:50:18,707 creating build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,709 copying build/lib/pele_platform/Adaptive/parametrizer.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,720 copying build/lib/pele_platform/Adaptive/interaction_restrictions.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,727 copying build/lib/pele_platform/Adaptive/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,737 copying build/lib/pele_platform/Adaptive/plop_solvent.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,742 copying build/lib/pele_platform/Adaptive/plop_ligand_parametrization.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,747 copying build/lib/pele_platform/Adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,752 copying build/lib/pele_platform/Adaptive/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,757 copying build/lib/pele_platform/Adaptive/box.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,762 copying build/lib/pele_platform/Adaptive/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-09-03T17:50:18,768 creating build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-09-03T17:50:18,770 copying build/lib/pele_platform/site_finder/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-09-03T17:50:18,777 copying build/lib/pele_platform/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-09-03T17:50:18,784 creating build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-09-03T17:50:18,787 copying build/lib/pele_platform/PPI/cluster.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-09-03T17:50:18,795 copying build/lib/pele_platform/PPI/simulation_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-09-03T17:50:18,801 copying build/lib/pele_platform/PPI/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-09-03T17:50:18,807 copying build/lib/pele_platform/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-09-03T17:50:18,811 copying build/lib/pele_platform/PPI/preparation.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-09-03T17:50:18,816 running install_egg_info 2021-09-03T17:50:18,834 Copying pele_platform.egg-info to build/bdist.linux-armv7l/wheel/pele_platform-1.6.0-py3.5.egg-info 2021-09-03T17:50:18,864 running install_scripts 2021-09-03T17:50:19,101 creating build/bdist.linux-armv7l/wheel/pele_platform-1.6.0.dist-info/WHEEL 2021-09-03T17:50:35,685 Building wheel for pele-platform (setup.py): finished with status 'done' 2021-09-03T17:50:35,877 Created wheel for pele-platform: filename=pele_platform-1.6.0-py3-none-any.whl size=11422430 sha256=a90b83350ffdd162d0d81d6b1fc8f7193b5a97d25088dd494e44c9ed5bc1ee68 2021-09-03T17:50:35,878 Stored in directory: /tmp/pip-ephem-wheel-cache-jbm4kqwr/wheels/d3/0e/7b/9cb4811dfbb3d1bdc0ac770cfc01906df018b214f9e6feff39 2021-09-03T17:50:35,944 Successfully built pele-platform 2021-09-03T17:50:37,922 Removed build tracker: '/tmp/pip-req-tracker-tcz7fjug'