2022-12-16T17:11:45,657 Created temporary directory: /tmp/pip-ephem-wheel-cache-a8__vpj8 2022-12-16T17:11:45,662 Created temporary directory: /tmp/pip-build-tracker-ct772oyq 2022-12-16T17:11:45,663 Initialized build tracking at /tmp/pip-build-tracker-ct772oyq 2022-12-16T17:11:45,663 Created build tracker: /tmp/pip-build-tracker-ct772oyq 2022-12-16T17:11:45,664 Entered build tracker: /tmp/pip-build-tracker-ct772oyq 2022-12-16T17:11:45,665 Created temporary directory: /tmp/pip-wheel-9zdo05gk 2022-12-16T17:11:45,673 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2022-12-16T17:11:45,678 Created temporary directory: /tmp/pip-ephem-wheel-cache-j0fkaxbw 2022-12-16T17:11:45,754 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2022-12-16T17:11:45,762 2 location(s) to search for versions of kgcnn: 2022-12-16T17:11:45,762 * https://pypi.org/simple/kgcnn/ 2022-12-16T17:11:45,762 * https://www.piwheels.org/simple/kgcnn/ 2022-12-16T17:11:45,763 Fetching project page and analyzing links: https://pypi.org/simple/kgcnn/ 2022-12-16T17:11:45,764 Getting page https://pypi.org/simple/kgcnn/ 2022-12-16T17:11:45,767 Found index url https://pypi.org/simple 2022-12-16T17:11:46,019 Fetched page https://pypi.org/simple/kgcnn/ as application/vnd.pypi.simple.v1+json 2022-12-16T17:11:46,035 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/9c/2c/33181a259e3f266e1bfea474aad2fb30d6576cd3bb7dc6bffc20fbdacaf8/kgcnn-0.1.0-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,036 Found link https://files.pythonhosted.org/packages/8c/ef/6d2ba8014299b8fc41356f07f2fb990ef17353f28512785ad4331d2dd60e/kgcnn-0.1.0.tar.gz (from https://pypi.org/simple/kgcnn/), version: 0.1.0 2022-12-16T17:11:46,037 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/7d/34/07bb956beae12ef443a7c984f31236869fb890975459abd268d060088980/kgcnn-0.1.1-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,037 Found link https://files.pythonhosted.org/packages/39/08/eba00e32b579fda28f303a853ac378821e2efb6d081db8617131cef11261/kgcnn-0.1.1.tar.gz (from https://pypi.org/simple/kgcnn/), version: 0.1.1 2022-12-16T17:11:46,038 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/7f/a7/1000f65769dc4cc1acd38c33d68bd77a764527d5d5cc9738b5ca4e54a1a9/kgcnn-0.1.3-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,039 Found link https://files.pythonhosted.org/packages/90/30/9a6435de1d90e962b4b035ad1c3d46668c6616d55b76a7bd3be2e0ec28bd/kgcnn-0.1.3.tar.gz (from https://pypi.org/simple/kgcnn/), version: 0.1.3 2022-12-16T17:11:46,039 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/2b/5c/4cd7c4b224c2fd5e8d267d951b22318e5849cd536e45a8f28b10576bccda/kgcnn-1.0.0-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,040 Found link https://files.pythonhosted.org/packages/3e/fe/5b4d1361fec623ad008ddd50da32fe976e07fbda01dfe41e871c492c452c/kgcnn-1.0.0.tar.gz (from https://pypi.org/simple/kgcnn/), version: 1.0.0 2022-12-16T17:11:46,040 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/dc/f6/289317fdd07ebee47077f34d7a2498535db5866e2e90ce23e9447748d289/kgcnn-1.0.1-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,041 Found link https://files.pythonhosted.org/packages/56/f7/2b768b6b1442076770a9b82c060a2f7c85e4a4cfbb68c089cfb844372292/kgcnn-1.0.1.tar.gz (from https://pypi.org/simple/kgcnn/), version: 1.0.1 2022-12-16T17:11:46,042 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/51/54/415afede60ed5ede58a4938bd89a2225f052632712eed4ac301e01c7b8ca/kgcnn-1.0.2-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,042 Found link https://files.pythonhosted.org/packages/0c/66/5cc8f5e504aa3fe65acadebd3108daf3d77665e38d7cdd80942ea9110de9/kgcnn-1.0.2.tar.gz (from https://pypi.org/simple/kgcnn/), version: 1.0.2 2022-12-16T17:11:46,043 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/88/5c/e9ebfcec087bca265b61e8dc81884291bf29d926173656ef3e0902b9bad0/kgcnn-1.1.0-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,044 Found link https://files.pythonhosted.org/packages/c7/85/6f4a3c1702e9c6a314f80ef9e84e20e1b0bbe29b9d2ef2b02725e81b6800/kgcnn-1.1.0.tar.gz (from https://pypi.org/simple/kgcnn/), version: 1.1.0 2022-12-16T17:11:46,044 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/77/85/afa17fa6f4ba0666413d5b6823cbd14f4c19d6c7ee47fed9e879b455a1f7/kgcnn-1.1.1-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,045 Found link https://files.pythonhosted.org/packages/b5/f9/c8826642b59417cff90aa953d9cc1207443c7e716e9be7d427d810d03344/kgcnn-1.1.1.tar.gz (from https://pypi.org/simple/kgcnn/), version: 1.1.1 2022-12-16T17:11:46,045 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/6d/7e/89e0948353e6dcb11f96eb835d0e16309ce0fdbb79ce71c6bf6a2b1f7099/kgcnn-2.0.0-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,046 Found link https://files.pythonhosted.org/packages/bd/4f/66497f82b33cdcd43fc03ac77d08217444d11003254dce37b190faf8e4d8/kgcnn-2.0.0.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.0.0 2022-12-16T17:11:46,047 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/86/c6/5fe8e2e8ea0531d09f9330728aa77fe5f857c7cc22d29d756fca4a1cfc0c/kgcnn-2.0.1-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,047 Found link https://files.pythonhosted.org/packages/f7/bd/1f263d5d8e95211c059cc79956f469aab5cc6d85947dd027f21b37ad039a/kgcnn-2.0.1.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.0.1 2022-12-16T17:11:46,048 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/77/d3/a37a1c42349c2afa10cd70a08573816274045bf2cfe544553f8f53cd5bc8/kgcnn-2.0.2-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,049 Found link https://files.pythonhosted.org/packages/de/58/1226aa4e21409e0e58eb8bd117a40fc63f33705c44e7fba12210b31ab4c5/kgcnn-2.0.2.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.0.2 2022-12-16T17:11:46,049 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/8d/87/70b2926209120d0563ff72df2c26950dc196cb9e757a1886b5c8cee73db4/kgcnn-2.0.3-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,050 Found link https://files.pythonhosted.org/packages/2f/43/1413d104b2515ac6c90cbb048ccdc929239b0fd72c5db186ac70fcd6eaf8/kgcnn-2.0.3.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.0.3 2022-12-16T17:11:46,050 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/9c/34/3be2e5cd9cd366518580d094acc0e42b84f31bcb395fd655a6e3af28ba3f/kgcnn-2.0.4-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,051 Found link https://files.pythonhosted.org/packages/cd/20/897ab4977c764d88df891fe226444d9ed07ceff05f43851689c6083764d6/kgcnn-2.0.4.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.0.4 2022-12-16T17:11:46,052 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/76/45/fc7b884b00ea32abbb10c74670a422763ca4b479d5391e349b0b67b33848/kgcnn-2.1.0-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,052 Found link https://files.pythonhosted.org/packages/cf/56/d72003771d4dd88975df9a89742f21ad41ffe179ec30e042f9856f83b7bc/kgcnn-2.1.0.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.1.0 2022-12-16T17:11:46,053 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/95/8c/aa7cacb9635574d629c4a3d6c1d6791ebe1db1f022d33ee90408f8e917c4/kgcnn-2.1.1-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,054 Found link https://files.pythonhosted.org/packages/f1/53/e36b77fd8c8db5c072431df4ccbb15fdcee3047d9fb04fad7523ef097f79/kgcnn-2.1.1.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.1.1 2022-12-16T17:11:46,054 Skipping link: No binaries permitted for kgcnn: https://files.pythonhosted.org/packages/db/92/3ad3cf8695a2c58588ff512d5771fadd51c0896c8c52b4752bbb828d1597/kgcnn-2.2.0-py3-none-any.whl (from https://pypi.org/simple/kgcnn/) 2022-12-16T17:11:46,055 Found link https://files.pythonhosted.org/packages/fc/f9/6cbec7ba16a88b5dfed01b7d185815e1ace1808111e0bb85470f05010f9d/kgcnn-2.2.0.tar.gz (from https://pypi.org/simple/kgcnn/), version: 2.2.0 2022-12-16T17:11:46,056 Fetching project page and analyzing links: https://www.piwheels.org/simple/kgcnn/ 2022-12-16T17:11:46,056 Getting page https://www.piwheels.org/simple/kgcnn/ 2022-12-16T17:11:46,059 Found index url https://www.piwheels.org/simple 2022-12-16T17:11:46,300 Fetched page https://www.piwheels.org/simple/kgcnn/ as text/html 2022-12-16T17:11:46,312 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.1.1-py3-none-any.whl#sha256=b4a790c07ae04dc9e1570117b27406c549a09ebe4347df7c677a7c6be627704f (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,313 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.1.0-py3-none-any.whl#sha256=7270b1d7f34fbaaa7928db9710f07ffe2a88058b451000c7efd8570b8e9b066f (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,313 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.0.4-py3-none-any.whl#sha256=a71b6cc0f6bcb9af7a33cecaabfe237fd0c59ac88f2139627897050406f9a621 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,314 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.0.3-py3-none-any.whl#sha256=4ea5c3adfd67f325b89ecee1605b3ccae470637611d793366660505607c4158a (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,314 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.0.2-py3-none-any.whl#sha256=a10f7746c7e0ee080903b4df861ae6b47ffa83d825a3b678af69bd3b1c524dd4 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,315 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.0.1-py3-none-any.whl#sha256=a929a5ff75a1ab895c8a7ace3e5afb222793758bedfa4527faecb4488e4658e1 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,315 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-2.0.0-py3-none-any.whl#sha256=08726507923fe217e3fbf36a0a726b623c100ea67ac187e0276e3cb6eafde09d (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,316 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-1.1.1-py3-none-any.whl#sha256=3b3f29bd295926965346070a215953c90f2881858576f0e115d59ea6a4a120f3 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,316 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-1.1.0-py3-none-any.whl#sha256=06b123d49f119d124c041ed7564ba61787e6c389abfa75aabaa963ed9a5758d7 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,317 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-1.0.2-py3-none-any.whl#sha256=d810cc7b4b444b983faa142fcc4bd31ba3ca07c7745b81053572f214e9b9b6fe (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,318 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-1.0.1-py3-none-any.whl#sha256=7fb5756810884b5125a7726e74678092e25643930e599fe073fc0ea845da65a0 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,318 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-1.0.0-py3-none-any.whl#sha256=3cffaa40fd6bfd5fba90933f516d02fe22550914e740313e4ec4db308527d3ab (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,319 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-0.1.3-py3-none-any.whl#sha256=4bc5b426bcaa21962a4dcaab971bb502f028ca1d4b3913ea0e30ac862b4ce15b (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,319 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-0.1.1-py3-none-any.whl#sha256=887cb45f153460e909d2a6d91b93402b291ec0d34005c990461488c42a80dc72 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,320 Skipping link: No binaries permitted for kgcnn: https://www.piwheels.org/simple/kgcnn/kgcnn-0.1.0-py3-none-any.whl#sha256=81afb8536ef55801965ea602acdd97d5f20d0e8adb676dfe7f296c4e6c1288d1 (from https://www.piwheels.org/simple/kgcnn/) 2022-12-16T17:11:46,320 Skipping link: not a file: https://www.piwheels.org/simple/kgcnn/ 2022-12-16T17:11:46,321 Skipping link: not a file: https://pypi.org/simple/kgcnn/ 2022-12-16T17:11:46,374 Given no hashes to check 1 links for project 'kgcnn': discarding no candidates 2022-12-16T17:11:46,404 Collecting kgcnn==2.2.0 2022-12-16T17:11:46,408 Created temporary directory: /tmp/pip-unpack-wrof9r1z 2022-12-16T17:11:46,657 Downloading kgcnn-2.2.0.tar.gz (278 kB) 2022-12-16T17:11:47,703 Added kgcnn==2.2.0 from https://files.pythonhosted.org/packages/fc/f9/6cbec7ba16a88b5dfed01b7d185815e1ace1808111e0bb85470f05010f9d/kgcnn-2.2.0.tar.gz to build tracker '/tmp/pip-build-tracker-ct772oyq' 2022-12-16T17:11:47,706 Running setup.py (path:/tmp/pip-wheel-9zdo05gk/kgcnn_5d9a82d7fc134990a3449aac4c66bf8d/setup.py) egg_info for package kgcnn 2022-12-16T17:11:47,708 Created temporary directory: /tmp/pip-pip-egg-info-ecqjfr5w 2022-12-16T17:11:47,708 Preparing metadata (setup.py): started 2022-12-16T17:11:47,710 Running command python setup.py egg_info 2022-12-16T17:11:50,364 running egg_info 2022-12-16T17:11:50,369 creating /tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info 2022-12-16T17:11:50,430 writing /tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/PKG-INFO 2022-12-16T17:11:50,435 writing dependency_links to /tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/dependency_links.txt 2022-12-16T17:11:50,440 writing requirements to /tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/requires.txt 2022-12-16T17:11:50,442 writing top-level names to /tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/top_level.txt 2022-12-16T17:11:50,444 writing manifest file '/tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/SOURCES.txt' 2022-12-16T17:11:50,682 reading manifest file '/tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/SOURCES.txt' 2022-12-16T17:11:50,685 reading manifest template 'MANIFEST.in' 2022-12-16T17:11:50,966 warning: no files found matching '*.json' under directory 'kgcnn' 2022-12-16T17:11:51,101 warning: no files found matching '*.yaml' under directory 'kgcnn' 2022-12-16T17:11:51,236 adding license file 'LICENSE' 2022-12-16T17:11:51,236 adding license file 'AUTHORS' 2022-12-16T17:11:51,265 writing manifest file '/tmp/pip-pip-egg-info-ecqjfr5w/kgcnn.egg-info/SOURCES.txt' 2022-12-16T17:11:51,470 Preparing metadata (setup.py): finished with status 'done' 2022-12-16T17:11:51,486 Source in /tmp/pip-wheel-9zdo05gk/kgcnn_5d9a82d7fc134990a3449aac4c66bf8d has version 2.2.0, which satisfies requirement kgcnn==2.2.0 from https://files.pythonhosted.org/packages/fc/f9/6cbec7ba16a88b5dfed01b7d185815e1ace1808111e0bb85470f05010f9d/kgcnn-2.2.0.tar.gz 2022-12-16T17:11:51,488 Removed kgcnn==2.2.0 from https://files.pythonhosted.org/packages/fc/f9/6cbec7ba16a88b5dfed01b7d185815e1ace1808111e0bb85470f05010f9d/kgcnn-2.2.0.tar.gz from build tracker '/tmp/pip-build-tracker-ct772oyq' 2022-12-16T17:11:51,501 Created temporary directory: /tmp/pip-unpack-6jnd54pk 2022-12-16T17:11:51,502 Building wheels for collected packages: kgcnn 2022-12-16T17:11:51,511 Created temporary directory: /tmp/pip-wheel-cgbag76q 2022-12-16T17:11:51,512 Building wheel for kgcnn (setup.py): started 2022-12-16T17:11:51,514 Destination directory: /tmp/pip-wheel-cgbag76q 2022-12-16T17:11:51,515 Running command python setup.py bdist_wheel 2022-12-16T17:11:54,129 running bdist_wheel 2022-12-16T17:11:54,877 running build 2022-12-16T17:11:54,878 running build_py 2022-12-16T17:11:54,946 creating build 2022-12-16T17:11:54,946 creating build/lib 2022-12-16T17:11:54,948 creating build/lib/kgcnn 2022-12-16T17:11:54,950 copying kgcnn/__init__.py -> build/lib/kgcnn 2022-12-16T17:11:54,956 creating build/lib/test 2022-12-16T17:11:54,957 copying test/test_xai_utils.py -> build/lib/test 2022-12-16T17:11:54,961 copying test/test_conv_attention.py -> build/lib/test 2022-12-16T17:11:54,965 copying test/test_connect.py -> build/lib/test 2022-12-16T17:11:54,969 copying test/test_gather.py -> build/lib/test 2022-12-16T17:11:54,972 copying test/test_data_base.py -> build/lib/test 2022-12-16T17:11:54,976 copying test/test_geom.py -> build/lib/test 2022-12-16T17:11:54,980 copying test/__init__.py -> build/lib/test 2022-12-16T17:11:54,982 copying test/test_topk.py -> build/lib/test 2022-12-16T17:11:54,986 copying test/test_pool_pooling.py -> build/lib/test 2022-12-16T17:11:54,989 copying test/test_conv_dmpnn.py -> build/lib/test 2022-12-16T17:11:54,992 copying test/utils.py -> build/lib/test 2022-12-16T17:11:54,995 copying test/test_adj.py -> build/lib/test 2022-12-16T17:11:54,999 copying test/test_range_periodic.py -> build/lib/test 2022-12-16T17:11:55,004 copying test/test_graph_base.py -> build/lib/test 2022-12-16T17:11:55,007 copying test/test_literature_megan.py -> build/lib/test 2022-12-16T17:11:55,011 copying test/test_data_moleculenet.py -> build/lib/test 2022-12-16T17:11:55,015 copying test/test_data_visual_graph.py -> build/lib/test 2022-12-16T17:11:55,019 creating build/lib/kgcnn/md 2022-12-16T17:11:55,021 copying kgcnn/md/ase_calc.py -> build/lib/kgcnn/md 2022-12-16T17:11:55,024 copying kgcnn/md/__init__.py -> build/lib/kgcnn/md 2022-12-16T17:11:55,027 copying kgcnn/md/newx_calc.py -> build/lib/kgcnn/md 2022-12-16T17:11:55,029 copying kgcnn/md/base.py -> build/lib/kgcnn/md 2022-12-16T17:11:55,034 creating build/lib/kgcnn/io 2022-12-16T17:11:55,036 copying kgcnn/io/loader.py -> build/lib/kgcnn/io 2022-12-16T17:11:55,039 copying kgcnn/io/__init__.py -> build/lib/kgcnn/io 2022-12-16T17:11:55,043 creating build/lib/kgcnn/model 2022-12-16T17:11:55,044 copying kgcnn/model/__init__.py -> build/lib/kgcnn/model 2022-12-16T17:11:55,047 copying kgcnn/model/force.py -> build/lib/kgcnn/model 2022-12-16T17:11:55,050 copying kgcnn/model/utils.py -> build/lib/kgcnn/model 2022-12-16T17:11:55,056 creating build/lib/kgcnn/data 2022-12-16T17:11:55,057 copying kgcnn/data/download.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,062 copying kgcnn/data/__init__.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,065 copying kgcnn/data/utils.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,068 copying kgcnn/data/crystal.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,073 copying kgcnn/data/qm.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,077 copying kgcnn/data/serial.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,080 copying kgcnn/data/moleculenet.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,085 copying kgcnn/data/tudataset.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,089 copying kgcnn/data/visual_graph.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,093 copying kgcnn/data/base.py -> build/lib/kgcnn/data 2022-12-16T17:11:55,100 creating build/lib/kgcnn/metrics 2022-12-16T17:11:55,102 copying kgcnn/metrics/loss.py -> build/lib/kgcnn/metrics 2022-12-16T17:11:55,105 copying kgcnn/metrics/metrics.py -> build/lib/kgcnn/metrics 2022-12-16T17:11:55,109 copying kgcnn/metrics/__init__.py -> build/lib/kgcnn/metrics 2022-12-16T17:11:55,112 creating build/lib/kgcnn/hyper 2022-12-16T17:11:55,114 copying kgcnn/hyper/hyper.py -> build/lib/kgcnn/hyper 2022-12-16T17:11:55,118 copying kgcnn/hyper/__init__.py -> build/lib/kgcnn/hyper 2022-12-16T17:11:55,123 creating build/lib/kgcnn/layers 2022-12-16T17:11:55,124 copying kgcnn/layers/gather.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,129 copying kgcnn/layers/__init__.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,132 copying kgcnn/layers/norm.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,136 copying kgcnn/layers/modules.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,141 copying kgcnn/layers/casting.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,145 copying kgcnn/layers/mlp.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,150 copying kgcnn/layers/message.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,153 copying kgcnn/layers/pooling.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,159 copying kgcnn/layers/geom.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,164 copying kgcnn/layers/relational.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,168 copying kgcnn/layers/base.py -> build/lib/kgcnn/layers 2022-12-16T17:11:55,175 creating build/lib/kgcnn/literature 2022-12-16T17:11:55,177 copying kgcnn/literature/MEGAN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,182 copying kgcnn/literature/HamNet.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,186 copying kgcnn/literature/GraphSAGE.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,190 copying kgcnn/literature/DMPNN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,194 copying kgcnn/literature/GAT.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,197 copying kgcnn/literature/__init__.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,200 copying kgcnn/literature/GATv2.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,204 copying kgcnn/literature/INorp.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,208 copying kgcnn/literature/MAT.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,212 copying kgcnn/literature/GCN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,216 copying kgcnn/literature/Unet.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,221 copying kgcnn/literature/PAiNN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,225 copying kgcnn/literature/AttentiveFP.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,229 copying kgcnn/literature/CGCNN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,233 copying kgcnn/literature/GNNExplain.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,238 copying kgcnn/literature/HDNNP2nd.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,242 copying kgcnn/literature/Schnet.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,247 copying kgcnn/literature/EGNN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,252 copying kgcnn/literature/DimeNetPP.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,257 copying kgcnn/literature/NMPN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,262 copying kgcnn/literature/Megnet.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,266 copying kgcnn/literature/GNNFilm.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,270 copying kgcnn/literature/MXMNet.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,275 copying kgcnn/literature/RGCN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,280 copying kgcnn/literature/CMPNN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,285 copying kgcnn/literature/GIN.py -> build/lib/kgcnn/literature 2022-12-16T17:11:55,291 creating build/lib/kgcnn/crystal 2022-12-16T17:11:55,293 copying kgcnn/crystal/__init__.py -> build/lib/kgcnn/crystal 2022-12-16T17:11:55,296 copying kgcnn/crystal/graph_builder.py -> build/lib/kgcnn/crystal 2022-12-16T17:11:55,301 copying kgcnn/crystal/preprocessor.py -> build/lib/kgcnn/crystal 2022-12-16T17:11:55,306 copying kgcnn/crystal/base.py -> build/lib/kgcnn/crystal 2022-12-16T17:11:55,312 creating build/lib/kgcnn/ops 2022-12-16T17:11:55,314 copying kgcnn/ops/scatter.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,319 copying kgcnn/ops/initializer.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,322 copying kgcnn/ops/__init__.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,326 copying kgcnn/ops/segment.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,330 copying kgcnn/ops/sorting.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,333 copying kgcnn/ops/axis.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,337 copying kgcnn/ops/partition.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,342 copying kgcnn/ops/polynom.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,346 copying kgcnn/ops/ragged.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,351 copying kgcnn/ops/casting.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,354 copying kgcnn/ops/activ.py -> build/lib/kgcnn/ops 2022-12-16T17:11:55,360 creating build/lib/kgcnn/utils 2022-12-16T17:11:55,362 copying kgcnn/utils/plots.py -> build/lib/kgcnn/utils 2022-12-16T17:11:55,367 copying kgcnn/utils/__init__.py -> build/lib/kgcnn/utils 2022-12-16T17:11:55,371 copying kgcnn/utils/devices.py -> build/lib/kgcnn/utils 2022-12-16T17:11:55,375 copying kgcnn/utils/models.py -> build/lib/kgcnn/utils 2022-12-16T17:11:55,379 copying kgcnn/utils/cli.py -> build/lib/kgcnn/utils 2022-12-16T17:11:55,383 copying kgcnn/utils/serial.py -> build/lib/kgcnn/utils 2022-12-16T17:11:55,388 creating build/lib/kgcnn/scaler 2022-12-16T17:11:55,390 copying kgcnn/scaler/__init__.py -> build/lib/kgcnn/scaler 2022-12-16T17:11:55,394 copying kgcnn/scaler/force.py -> build/lib/kgcnn/scaler 2022-12-16T17:11:55,399 copying kgcnn/scaler/scaler.py -> build/lib/kgcnn/scaler 2022-12-16T17:11:55,403 copying kgcnn/scaler/serial.py -> build/lib/kgcnn/scaler 2022-12-16T17:11:55,407 copying kgcnn/scaler/mol.py -> build/lib/kgcnn/scaler 2022-12-16T17:11:55,414 creating build/lib/kgcnn/mol 2022-12-16T17:11:55,417 copying kgcnn/mol/encoder.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,421 copying kgcnn/mol/io.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,426 copying kgcnn/mol/convert.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,431 copying kgcnn/mol/__init__.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,434 copying kgcnn/mol/graph_babel.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,440 copying kgcnn/mol/serial.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,444 copying kgcnn/mol/methods.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,448 copying kgcnn/mol/graph_rdkit.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,455 copying kgcnn/mol/base.py -> build/lib/kgcnn/mol 2022-12-16T17:11:55,461 creating build/lib/kgcnn/graph 2022-12-16T17:11:55,463 copying kgcnn/graph/__init__.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,467 copying kgcnn/graph/postprocessor.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,471 copying kgcnn/graph/adj.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,476 copying kgcnn/graph/preprocessor.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,483 copying kgcnn/graph/serial.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,487 copying kgcnn/graph/geom.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,493 copying kgcnn/graph/base.py -> build/lib/kgcnn/graph 2022-12-16T17:11:55,500 creating build/lib/kgcnn/training 2022-12-16T17:11:55,502 copying kgcnn/training/callbacks.py -> build/lib/kgcnn/training 2022-12-16T17:11:55,507 copying kgcnn/training/__init__.py -> build/lib/kgcnn/training 2022-12-16T17:11:55,511 copying kgcnn/training/schedule.py -> build/lib/kgcnn/training 2022-12-16T17:11:55,515 copying kgcnn/training/scheduler.py -> build/lib/kgcnn/training 2022-12-16T17:11:55,520 copying kgcnn/training/optimizer.py -> build/lib/kgcnn/training 2022-12-16T17:11:55,525 copying kgcnn/training/history.py -> build/lib/kgcnn/training 2022-12-16T17:11:55,531 creating build/lib/kgcnn/xai 2022-12-16T17:11:55,533 copying kgcnn/xai/__init__.py -> build/lib/kgcnn/xai 2022-12-16T17:11:55,537 copying kgcnn/xai/utils.py -> build/lib/kgcnn/xai 2022-12-16T17:11:55,541 copying kgcnn/xai/base.py -> build/lib/kgcnn/xai 2022-12-16T17:11:55,548 creating build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,551 copying kgcnn/data/datasets/ClinToxDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,555 copying kgcnn/data/datasets/QM7bDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,560 copying kgcnn/data/datasets/PROTEINSDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,564 copying kgcnn/data/datasets/GraphTUDataset2020.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,569 copying kgcnn/data/datasets/MD17RevisedDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,572 copying kgcnn/data/datasets/QM8Dataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,576 copying kgcnn/data/datasets/MoleculeNetDataset2018.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,580 copying kgcnn/data/datasets/__init__.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,584 copying kgcnn/data/datasets/MUTAGDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,587 copying kgcnn/data/datasets/QM7Dataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,591 copying kgcnn/data/datasets/SIDERDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,594 copying kgcnn/data/datasets/CoraDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,598 copying kgcnn/data/datasets/MatProjectPhononsDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,601 copying kgcnn/data/datasets/QM9MolNetDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,605 copying kgcnn/data/datasets/VgdMockDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,608 copying kgcnn/data/datasets/ESOLDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,612 copying kgcnn/data/datasets/MatBenchDataset2020.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,616 copying kgcnn/data/datasets/MatProjectIsMetalDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,619 copying kgcnn/data/datasets/ISO17Dataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,624 copying kgcnn/data/datasets/MutagenicityDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,628 copying kgcnn/data/datasets/QM9Dataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,632 copying kgcnn/data/datasets/MD17Dataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,637 copying kgcnn/data/datasets/MatProjectEFormDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,640 copying kgcnn/data/datasets/Tox21MolNetDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,643 copying kgcnn/data/datasets/LipopDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,647 copying kgcnn/data/datasets/FreeSolvDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,650 copying kgcnn/data/datasets/VgdRbMotifsDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,654 copying kgcnn/data/datasets/CoraLuDataset.py -> build/lib/kgcnn/data/datasets 2022-12-16T17:11:55,661 creating build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,663 copying kgcnn/layers/conv/wacsf_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,669 copying kgcnn/layers/conv/gat_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,674 copying kgcnn/layers/conv/schnet_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,678 copying kgcnn/layers/conv/dimenet_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,683 copying kgcnn/layers/conv/__init__.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,687 copying kgcnn/layers/conv/vgae_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,690 copying kgcnn/layers/conv/attentivefp_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,695 copying kgcnn/layers/conv/megnet_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,699 copying kgcnn/layers/conv/dmpnn_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,703 copying kgcnn/layers/conv/mxmnet_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,708 copying kgcnn/layers/conv/mpnn_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,713 copying kgcnn/layers/conv/sage_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,717 copying kgcnn/layers/conv/gcn_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,721 copying kgcnn/layers/conv/hamnet_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,727 copying kgcnn/layers/conv/painn_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,732 copying kgcnn/layers/conv/gin_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,736 copying kgcnn/layers/conv/mat_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,740 copying kgcnn/layers/conv/rgcn_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,743 copying kgcnn/layers/conv/cgcnn_conv.py -> build/lib/kgcnn/layers/conv 2022-12-16T17:11:55,748 creating build/lib/kgcnn/layers/pool 2022-12-16T17:11:55,750 copying kgcnn/layers/pool/set2set.py -> build/lib/kgcnn/layers/pool 2022-12-16T17:11:55,754 copying kgcnn/layers/pool/__init__.py -> build/lib/kgcnn/layers/pool 2022-12-16T17:11:55,758 copying kgcnn/layers/pool/topk.py -> build/lib/kgcnn/layers/pool 2022-12-16T17:11:55,764 creating build/lib/kgcnn/mol/external 2022-12-16T17:11:55,765 copying kgcnn/mol/external/__init__.py -> build/lib/kgcnn/mol/external 2022-12-16T17:11:55,769 copying kgcnn/mol/external/ballloon.py -> build/lib/kgcnn/mol/external 2022-12-16T17:11:55,773 running egg_info 2022-12-16T17:11:55,960 writing kgcnn.egg-info/PKG-INFO 2022-12-16T17:11:55,965 writing dependency_links to kgcnn.egg-info/dependency_links.txt 2022-12-16T17:11:55,969 writing requirements to kgcnn.egg-info/requires.txt 2022-12-16T17:11:55,971 writing top-level names to kgcnn.egg-info/top_level.txt 2022-12-16T17:11:56,085 reading manifest file 'kgcnn.egg-info/SOURCES.txt' 2022-12-16T17:11:56,100 reading manifest template 'MANIFEST.in' 2022-12-16T17:11:56,390 warning: no files found matching '*.json' under directory 'kgcnn' 2022-12-16T17:11:56,531 warning: no files found matching '*.yaml' under directory 'kgcnn' 2022-12-16T17:11:56,670 adding license file 'LICENSE' 2022-12-16T17:11:56,670 adding license file 'AUTHORS' 2022-12-16T17:11:56,705 writing manifest file 'kgcnn.egg-info/SOURCES.txt' 2022-12-16T17:11:56,722 copying kgcnn/model/README.md -> build/lib/kgcnn/model 2022-12-16T17:11:56,726 copying kgcnn/layers/README.md -> build/lib/kgcnn/layers 2022-12-16T17:11:56,838 /usr/local/lib/python3.7/dist-packages/setuptools/command/install.py:37: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools. 2022-12-16T17:11:56,838 setuptools.SetuptoolsDeprecationWarning, 2022-12-16T17:11:56,903 installing to build/bdist.linux-armv7l/wheel 2022-12-16T17:11:56,904 running install 2022-12-16T17:11:56,969 running install_lib 2022-12-16T17:11:57,036 creating build/bdist.linux-armv7l 2022-12-16T17:11:57,036 creating build/bdist.linux-armv7l/wheel 2022-12-16T17:11:57,040 creating build/bdist.linux-armv7l/wheel/kgcnn 2022-12-16T17:11:57,043 creating build/bdist.linux-armv7l/wheel/kgcnn/md 2022-12-16T17:11:57,044 copying build/lib/kgcnn/md/ase_calc.py -> build/bdist.linux-armv7l/wheel/kgcnn/md 2022-12-16T17:11:57,048 copying build/lib/kgcnn/md/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/md 2022-12-16T17:11:57,051 copying build/lib/kgcnn/md/newx_calc.py -> build/bdist.linux-armv7l/wheel/kgcnn/md 2022-12-16T17:11:57,054 copying build/lib/kgcnn/md/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/md 2022-12-16T17:11:57,059 creating build/bdist.linux-armv7l/wheel/kgcnn/io 2022-12-16T17:11:57,061 copying build/lib/kgcnn/io/loader.py -> build/bdist.linux-armv7l/wheel/kgcnn/io 2022-12-16T17:11:57,065 copying build/lib/kgcnn/io/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/io 2022-12-16T17:11:57,068 creating build/bdist.linux-armv7l/wheel/kgcnn/model 2022-12-16T17:11:57,070 copying build/lib/kgcnn/model/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/model 2022-12-16T17:11:57,073 copying build/lib/kgcnn/model/force.py -> build/bdist.linux-armv7l/wheel/kgcnn/model 2022-12-16T17:11:57,077 copying build/lib/kgcnn/model/README.md -> build/bdist.linux-armv7l/wheel/kgcnn/model 2022-12-16T17:11:57,079 copying build/lib/kgcnn/model/utils.py -> build/bdist.linux-armv7l/wheel/kgcnn/model 2022-12-16T17:11:57,085 creating build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,086 copying build/lib/kgcnn/data/download.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,093 creating build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,095 copying build/lib/kgcnn/data/datasets/ClinToxDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,099 copying build/lib/kgcnn/data/datasets/QM7bDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,103 copying build/lib/kgcnn/data/datasets/PROTEINSDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,106 copying build/lib/kgcnn/data/datasets/GraphTUDataset2020.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,110 copying build/lib/kgcnn/data/datasets/MD17RevisedDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,114 copying build/lib/kgcnn/data/datasets/QM8Dataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,118 copying build/lib/kgcnn/data/datasets/MoleculeNetDataset2018.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,123 copying build/lib/kgcnn/data/datasets/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,126 copying build/lib/kgcnn/data/datasets/MUTAGDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,130 copying build/lib/kgcnn/data/datasets/QM7Dataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,134 copying build/lib/kgcnn/data/datasets/SIDERDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,137 copying build/lib/kgcnn/data/datasets/CoraDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,141 copying build/lib/kgcnn/data/datasets/MatProjectPhononsDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,144 copying build/lib/kgcnn/data/datasets/QM9MolNetDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,147 copying build/lib/kgcnn/data/datasets/VgdMockDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,151 copying build/lib/kgcnn/data/datasets/ESOLDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,154 copying build/lib/kgcnn/data/datasets/MatBenchDataset2020.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,158 copying build/lib/kgcnn/data/datasets/MatProjectIsMetalDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,162 copying build/lib/kgcnn/data/datasets/ISO17Dataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,166 copying build/lib/kgcnn/data/datasets/MutagenicityDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,170 copying build/lib/kgcnn/data/datasets/QM9Dataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,175 copying build/lib/kgcnn/data/datasets/MD17Dataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,179 copying build/lib/kgcnn/data/datasets/MatProjectEFormDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,183 copying build/lib/kgcnn/data/datasets/Tox21MolNetDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,187 copying build/lib/kgcnn/data/datasets/LipopDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,190 copying build/lib/kgcnn/data/datasets/FreeSolvDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,193 copying build/lib/kgcnn/data/datasets/VgdRbMotifsDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,196 copying build/lib/kgcnn/data/datasets/CoraLuDataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data/datasets 2022-12-16T17:11:57,201 copying build/lib/kgcnn/data/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,204 copying build/lib/kgcnn/data/utils.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,208 copying build/lib/kgcnn/data/crystal.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,212 copying build/lib/kgcnn/data/qm.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,217 copying build/lib/kgcnn/data/serial.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,221 copying build/lib/kgcnn/data/moleculenet.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,226 copying build/lib/kgcnn/data/tudataset.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,231 copying build/lib/kgcnn/data/visual_graph.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,236 copying build/lib/kgcnn/data/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/data 2022-12-16T17:11:57,243 creating build/bdist.linux-armv7l/wheel/kgcnn/metrics 2022-12-16T17:11:57,245 copying build/lib/kgcnn/metrics/loss.py -> build/bdist.linux-armv7l/wheel/kgcnn/metrics 2022-12-16T17:11:57,248 copying build/lib/kgcnn/metrics/metrics.py -> build/bdist.linux-armv7l/wheel/kgcnn/metrics 2022-12-16T17:11:57,252 copying build/lib/kgcnn/metrics/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/metrics 2022-12-16T17:11:57,255 copying build/lib/kgcnn/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn 2022-12-16T17:11:57,259 creating build/bdist.linux-armv7l/wheel/kgcnn/hyper 2022-12-16T17:11:57,261 copying build/lib/kgcnn/hyper/hyper.py -> build/bdist.linux-armv7l/wheel/kgcnn/hyper 2022-12-16T17:11:57,266 copying build/lib/kgcnn/hyper/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/hyper 2022-12-16T17:11:57,270 creating build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,271 copying build/lib/kgcnn/layers/gather.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,276 copying build/lib/kgcnn/layers/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,279 copying build/lib/kgcnn/layers/README.md -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,283 creating build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,285 copying build/lib/kgcnn/layers/conv/wacsf_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,290 copying build/lib/kgcnn/layers/conv/gat_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,294 copying build/lib/kgcnn/layers/conv/schnet_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,298 copying build/lib/kgcnn/layers/conv/dimenet_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,303 copying build/lib/kgcnn/layers/conv/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,306 copying build/lib/kgcnn/layers/conv/vgae_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,310 copying build/lib/kgcnn/layers/conv/attentivefp_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,314 copying build/lib/kgcnn/layers/conv/megnet_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,318 copying build/lib/kgcnn/layers/conv/dmpnn_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,322 copying build/lib/kgcnn/layers/conv/mxmnet_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,325 copying build/lib/kgcnn/layers/conv/mpnn_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,330 copying build/lib/kgcnn/layers/conv/sage_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,334 copying build/lib/kgcnn/layers/conv/gcn_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,338 copying build/lib/kgcnn/layers/conv/hamnet_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,344 copying build/lib/kgcnn/layers/conv/painn_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,348 copying build/lib/kgcnn/layers/conv/gin_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,352 copying build/lib/kgcnn/layers/conv/mat_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,356 copying build/lib/kgcnn/layers/conv/rgcn_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,359 copying build/lib/kgcnn/layers/conv/cgcnn_conv.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/conv 2022-12-16T17:11:57,363 copying build/lib/kgcnn/layers/norm.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,367 copying build/lib/kgcnn/layers/modules.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,372 copying build/lib/kgcnn/layers/casting.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,377 creating build/bdist.linux-armv7l/wheel/kgcnn/layers/pool 2022-12-16T17:11:57,379 copying build/lib/kgcnn/layers/pool/set2set.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/pool 2022-12-16T17:11:57,383 copying build/lib/kgcnn/layers/pool/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/pool 2022-12-16T17:11:57,387 copying build/lib/kgcnn/layers/pool/topk.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers/pool 2022-12-16T17:11:57,391 copying build/lib/kgcnn/layers/mlp.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,396 copying build/lib/kgcnn/layers/message.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,400 copying build/lib/kgcnn/layers/pooling.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,407 copying build/lib/kgcnn/layers/geom.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,414 copying build/lib/kgcnn/layers/relational.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,419 copying build/lib/kgcnn/layers/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/layers 2022-12-16T17:11:57,425 creating build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,427 copying build/lib/kgcnn/literature/MEGAN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,434 copying build/lib/kgcnn/literature/HamNet.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,438 copying build/lib/kgcnn/literature/GraphSAGE.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,442 copying build/lib/kgcnn/literature/DMPNN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,445 copying build/lib/kgcnn/literature/GAT.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,449 copying build/lib/kgcnn/literature/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,452 copying build/lib/kgcnn/literature/GATv2.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,456 copying build/lib/kgcnn/literature/INorp.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,460 copying build/lib/kgcnn/literature/MAT.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,465 copying build/lib/kgcnn/literature/GCN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,469 copying build/lib/kgcnn/literature/Unet.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,473 copying build/lib/kgcnn/literature/PAiNN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,477 copying build/lib/kgcnn/literature/AttentiveFP.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,481 copying build/lib/kgcnn/literature/CGCNN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,485 copying build/lib/kgcnn/literature/GNNExplain.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,490 copying build/lib/kgcnn/literature/HDNNP2nd.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,494 copying build/lib/kgcnn/literature/Schnet.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,499 copying build/lib/kgcnn/literature/EGNN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,503 copying build/lib/kgcnn/literature/DimeNetPP.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,509 copying build/lib/kgcnn/literature/NMPN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,514 copying build/lib/kgcnn/literature/Megnet.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,520 copying build/lib/kgcnn/literature/GNNFilm.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,524 copying build/lib/kgcnn/literature/MXMNet.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,529 copying build/lib/kgcnn/literature/RGCN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,534 copying build/lib/kgcnn/literature/CMPNN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,539 copying build/lib/kgcnn/literature/GIN.py -> build/bdist.linux-armv7l/wheel/kgcnn/literature 2022-12-16T17:11:57,545 creating build/bdist.linux-armv7l/wheel/kgcnn/crystal 2022-12-16T17:11:57,547 copying build/lib/kgcnn/crystal/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/crystal 2022-12-16T17:11:57,551 copying build/lib/kgcnn/crystal/graph_builder.py -> build/bdist.linux-armv7l/wheel/kgcnn/crystal 2022-12-16T17:11:57,556 copying build/lib/kgcnn/crystal/preprocessor.py -> build/bdist.linux-armv7l/wheel/kgcnn/crystal 2022-12-16T17:11:57,561 copying build/lib/kgcnn/crystal/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/crystal 2022-12-16T17:11:57,566 creating build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,568 copying build/lib/kgcnn/ops/scatter.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,572 copying build/lib/kgcnn/ops/initializer.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,576 copying build/lib/kgcnn/ops/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,579 copying build/lib/kgcnn/ops/segment.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,583 copying build/lib/kgcnn/ops/sorting.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,587 copying build/lib/kgcnn/ops/axis.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,591 copying build/lib/kgcnn/ops/partition.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,595 copying build/lib/kgcnn/ops/polynom.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,600 copying build/lib/kgcnn/ops/ragged.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,605 copying build/lib/kgcnn/ops/casting.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,607 copying build/lib/kgcnn/ops/activ.py -> build/bdist.linux-armv7l/wheel/kgcnn/ops 2022-12-16T17:11:57,612 creating build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,613 copying build/lib/kgcnn/utils/plots.py -> build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,618 copying build/lib/kgcnn/utils/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,622 copying build/lib/kgcnn/utils/devices.py -> build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,626 copying build/lib/kgcnn/utils/models.py -> build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,630 copying build/lib/kgcnn/utils/cli.py -> build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,634 copying build/lib/kgcnn/utils/serial.py -> build/bdist.linux-armv7l/wheel/kgcnn/utils 2022-12-16T17:11:57,639 creating build/bdist.linux-armv7l/wheel/kgcnn/scaler 2022-12-16T17:11:57,641 copying build/lib/kgcnn/scaler/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/scaler 2022-12-16T17:11:57,645 copying build/lib/kgcnn/scaler/force.py -> build/bdist.linux-armv7l/wheel/kgcnn/scaler 2022-12-16T17:11:57,650 copying build/lib/kgcnn/scaler/scaler.py -> build/bdist.linux-armv7l/wheel/kgcnn/scaler 2022-12-16T17:11:57,654 copying build/lib/kgcnn/scaler/serial.py -> build/bdist.linux-armv7l/wheel/kgcnn/scaler 2022-12-16T17:11:57,658 copying build/lib/kgcnn/scaler/mol.py -> build/bdist.linux-armv7l/wheel/kgcnn/scaler 2022-12-16T17:11:57,664 creating build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,666 copying build/lib/kgcnn/mol/encoder.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,669 copying build/lib/kgcnn/mol/io.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,674 copying build/lib/kgcnn/mol/convert.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,678 copying build/lib/kgcnn/mol/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,681 copying build/lib/kgcnn/mol/graph_babel.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,685 copying build/lib/kgcnn/mol/serial.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,688 copying build/lib/kgcnn/mol/methods.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,693 copying build/lib/kgcnn/mol/graph_rdkit.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,697 copying build/lib/kgcnn/mol/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol 2022-12-16T17:11:57,703 creating build/bdist.linux-armv7l/wheel/kgcnn/mol/external 2022-12-16T17:11:57,704 copying build/lib/kgcnn/mol/external/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol/external 2022-12-16T17:11:57,708 copying build/lib/kgcnn/mol/external/ballloon.py -> build/bdist.linux-armv7l/wheel/kgcnn/mol/external 2022-12-16T17:11:57,714 creating build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,715 copying build/lib/kgcnn/graph/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,719 copying build/lib/kgcnn/graph/postprocessor.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,722 copying build/lib/kgcnn/graph/adj.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,727 copying build/lib/kgcnn/graph/preprocessor.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,732 copying build/lib/kgcnn/graph/serial.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,736 copying build/lib/kgcnn/graph/geom.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,741 copying build/lib/kgcnn/graph/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/graph 2022-12-16T17:11:57,747 creating build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,748 copying build/lib/kgcnn/training/callbacks.py -> build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,752 copying build/lib/kgcnn/training/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,754 copying build/lib/kgcnn/training/schedule.py -> build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,758 copying build/lib/kgcnn/training/scheduler.py -> build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,762 copying build/lib/kgcnn/training/optimizer.py -> build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,767 copying build/lib/kgcnn/training/history.py -> build/bdist.linux-armv7l/wheel/kgcnn/training 2022-12-16T17:11:57,772 creating build/bdist.linux-armv7l/wheel/kgcnn/xai 2022-12-16T17:11:57,773 copying build/lib/kgcnn/xai/__init__.py -> build/bdist.linux-armv7l/wheel/kgcnn/xai 2022-12-16T17:11:57,776 copying build/lib/kgcnn/xai/utils.py -> build/bdist.linux-armv7l/wheel/kgcnn/xai 2022-12-16T17:11:57,779 copying build/lib/kgcnn/xai/base.py -> build/bdist.linux-armv7l/wheel/kgcnn/xai 2022-12-16T17:11:57,784 creating build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,785 copying build/lib/test/test_xai_utils.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,789 copying build/lib/test/test_conv_attention.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,793 copying build/lib/test/test_connect.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,796 copying build/lib/test/test_gather.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,800 copying build/lib/test/test_data_base.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,804 copying build/lib/test/test_geom.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,808 copying build/lib/test/__init__.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,811 copying build/lib/test/test_topk.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,814 copying build/lib/test/test_pool_pooling.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,818 copying build/lib/test/test_conv_dmpnn.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,821 copying build/lib/test/utils.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,824 copying build/lib/test/test_adj.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,828 copying build/lib/test/test_range_periodic.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,832 copying build/lib/test/test_graph_base.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,835 copying build/lib/test/test_literature_megan.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,840 copying build/lib/test/test_data_moleculenet.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,844 copying build/lib/test/test_data_visual_graph.py -> build/bdist.linux-armv7l/wheel/test 2022-12-16T17:11:57,846 running install_egg_info 2022-12-16T17:11:57,922 Copying kgcnn.egg-info to build/bdist.linux-armv7l/wheel/kgcnn-2.2.0-py3.7.egg-info 2022-12-16T17:11:57,943 running install_scripts 2022-12-16T17:11:58,161 adding license file "LICENSE" (matched pattern "LICEN[CS]E*") 2022-12-16T17:11:58,163 adding license file "AUTHORS" (matched pattern "AUTHORS*") 2022-12-16T17:11:58,172 creating build/bdist.linux-armv7l/wheel/kgcnn-2.2.0.dist-info/WHEEL 2022-12-16T17:11:58,177 creating '/tmp/pip-wheel-cgbag76q/kgcnn-2.2.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2022-12-16T17:11:58,182 adding 'kgcnn/__init__.py' 2022-12-16T17:11:58,186 adding 'kgcnn/crystal/__init__.py' 2022-12-16T17:11:58,188 adding 'kgcnn/crystal/base.py' 2022-12-16T17:11:58,193 adding 'kgcnn/crystal/graph_builder.py' 2022-12-16T17:11:58,196 adding 'kgcnn/crystal/preprocessor.py' 2022-12-16T17:11:58,199 adding 'kgcnn/data/__init__.py' 2022-12-16T17:11:58,209 adding 'kgcnn/data/base.py' 2022-12-16T17:11:58,214 adding 'kgcnn/data/crystal.py' 2022-12-16T17:11:58,218 adding 'kgcnn/data/download.py' 2022-12-16T17:11:58,225 adding 'kgcnn/data/moleculenet.py' 2022-12-16T17:11:58,230 adding 'kgcnn/data/qm.py' 2022-12-16T17:11:58,233 adding 'kgcnn/data/serial.py' 2022-12-16T17:11:58,237 adding 'kgcnn/data/tudataset.py' 2022-12-16T17:11:58,240 adding 'kgcnn/data/utils.py' 2022-12-16T17:11:58,244 adding 'kgcnn/data/visual_graph.py' 2022-12-16T17:11:58,249 adding 'kgcnn/data/datasets/ClinToxDataset.py' 2022-12-16T17:11:58,252 adding 'kgcnn/data/datasets/CoraDataset.py' 2022-12-16T17:11:58,255 adding 'kgcnn/data/datasets/CoraLuDataset.py' 2022-12-16T17:11:58,257 adding 'kgcnn/data/datasets/ESOLDataset.py' 2022-12-16T17:11:58,260 adding 'kgcnn/data/datasets/FreeSolvDataset.py' 2022-12-16T17:11:58,263 adding 'kgcnn/data/datasets/GraphTUDataset2020.py' 2022-12-16T17:11:58,267 adding 'kgcnn/data/datasets/ISO17Dataset.py' 2022-12-16T17:11:58,269 adding 'kgcnn/data/datasets/LipopDataset.py' 2022-12-16T17:11:58,273 adding 'kgcnn/data/datasets/MD17Dataset.py' 2022-12-16T17:11:58,276 adding 'kgcnn/data/datasets/MD17RevisedDataset.py' 2022-12-16T17:11:58,279 adding 'kgcnn/data/datasets/MUTAGDataset.py' 2022-12-16T17:11:58,283 adding 'kgcnn/data/datasets/MatBenchDataset2020.py' 2022-12-16T17:11:58,286 adding 'kgcnn/data/datasets/MatProjectEFormDataset.py' 2022-12-16T17:11:58,288 adding 'kgcnn/data/datasets/MatProjectIsMetalDataset.py' 2022-12-16T17:11:58,291 adding 'kgcnn/data/datasets/MatProjectPhononsDataset.py' 2022-12-16T17:11:58,294 adding 'kgcnn/data/datasets/MoleculeNetDataset2018.py' 2022-12-16T17:11:58,297 adding 'kgcnn/data/datasets/MutagenicityDataset.py' 2022-12-16T17:11:58,300 adding 'kgcnn/data/datasets/PROTEINSDataset.py' 2022-12-16T17:11:58,303 adding 'kgcnn/data/datasets/QM7Dataset.py' 2022-12-16T17:11:58,306 adding 'kgcnn/data/datasets/QM7bDataset.py' 2022-12-16T17:11:58,310 adding 'kgcnn/data/datasets/QM8Dataset.py' 2022-12-16T17:11:58,314 adding 'kgcnn/data/datasets/QM9Dataset.py' 2022-12-16T17:11:58,317 adding 'kgcnn/data/datasets/QM9MolNetDataset.py' 2022-12-16T17:11:58,319 adding 'kgcnn/data/datasets/SIDERDataset.py' 2022-12-16T17:11:58,322 adding 'kgcnn/data/datasets/Tox21MolNetDataset.py' 2022-12-16T17:11:58,324 adding 'kgcnn/data/datasets/VgdMockDataset.py' 2022-12-16T17:11:58,326 adding 'kgcnn/data/datasets/VgdRbMotifsDataset.py' 2022-12-16T17:11:58,329 adding 'kgcnn/data/datasets/__init__.py' 2022-12-16T17:11:58,332 adding 'kgcnn/graph/__init__.py' 2022-12-16T17:11:58,340 adding 'kgcnn/graph/adj.py' 2022-12-16T17:11:58,348 adding 'kgcnn/graph/base.py' 2022-12-16T17:11:58,355 adding 'kgcnn/graph/geom.py' 2022-12-16T17:11:58,358 adding 'kgcnn/graph/postprocessor.py' 2022-12-16T17:11:58,365 adding 'kgcnn/graph/preprocessor.py' 2022-12-16T17:11:58,368 adding 'kgcnn/graph/serial.py' 2022-12-16T17:11:58,371 adding 'kgcnn/hyper/__init__.py' 2022-12-16T17:11:58,375 adding 'kgcnn/hyper/hyper.py' 2022-12-16T17:11:58,379 adding 'kgcnn/io/__init__.py' 2022-12-16T17:11:58,382 adding 'kgcnn/io/loader.py' 2022-12-16T17:11:58,385 adding 'kgcnn/layers/README.md' 2022-12-16T17:11:58,387 adding 'kgcnn/layers/__init__.py' 2022-12-16T17:11:58,391 adding 'kgcnn/layers/base.py' 2022-12-16T17:11:58,395 adding 'kgcnn/layers/casting.py' 2022-12-16T17:11:58,399 adding 'kgcnn/layers/gather.py' 2022-12-16T17:11:58,410 adding 'kgcnn/layers/geom.py' 2022-12-16T17:11:58,413 adding 'kgcnn/layers/message.py' 2022-12-16T17:11:58,418 adding 'kgcnn/layers/mlp.py' 2022-12-16T17:11:58,424 adding 'kgcnn/layers/modules.py' 2022-12-16T17:11:58,428 adding 'kgcnn/layers/norm.py' 2022-12-16T17:11:58,434 adding 'kgcnn/layers/pooling.py' 2022-12-16T17:11:58,439 adding 'kgcnn/layers/relational.py' 2022-12-16T17:11:58,443 adding 'kgcnn/layers/conv/__init__.py' 2022-12-16T17:11:58,446 adding 'kgcnn/layers/conv/attentivefp_conv.py' 2022-12-16T17:11:58,450 adding 'kgcnn/layers/conv/cgcnn_conv.py' 2022-12-16T17:11:58,455 adding 'kgcnn/layers/conv/dimenet_conv.py' 2022-12-16T17:11:58,458 adding 'kgcnn/layers/conv/dmpnn_conv.py' 2022-12-16T17:11:58,462 adding 'kgcnn/layers/conv/gat_conv.py' 2022-12-16T17:11:58,465 adding 'kgcnn/layers/conv/gcn_conv.py' 2022-12-16T17:11:58,468 adding 'kgcnn/layers/conv/gin_conv.py' 2022-12-16T17:11:58,474 adding 'kgcnn/layers/conv/hamnet_conv.py' 2022-12-16T17:11:58,478 adding 'kgcnn/layers/conv/mat_conv.py' 2022-12-16T17:11:58,481 adding 'kgcnn/layers/conv/megnet_conv.py' 2022-12-16T17:11:58,485 adding 'kgcnn/layers/conv/mpnn_conv.py' 2022-12-16T17:11:58,488 adding 'kgcnn/layers/conv/mxmnet_conv.py' 2022-12-16T17:11:58,492 adding 'kgcnn/layers/conv/painn_conv.py' 2022-12-16T17:11:58,494 adding 'kgcnn/layers/conv/rgcn_conv.py' 2022-12-16T17:11:58,497 adding 'kgcnn/layers/conv/sage_conv.py' 2022-12-16T17:11:58,501 adding 'kgcnn/layers/conv/schnet_conv.py' 2022-12-16T17:11:58,503 adding 'kgcnn/layers/conv/vgae_conv.py' 2022-12-16T17:11:58,508 adding 'kgcnn/layers/conv/wacsf_conv.py' 2022-12-16T17:11:58,512 adding 'kgcnn/layers/pool/__init__.py' 2022-12-16T17:11:58,516 adding 'kgcnn/layers/pool/set2set.py' 2022-12-16T17:11:58,521 adding 'kgcnn/layers/pool/topk.py' 2022-12-16T17:11:58,527 adding 'kgcnn/literature/AttentiveFP.py' 2022-12-16T17:11:58,530 adding 'kgcnn/literature/CGCNN.py' 2022-12-16T17:11:58,534 adding 'kgcnn/literature/CMPNN.py' 2022-12-16T17:11:58,537 adding 'kgcnn/literature/DMPNN.py' 2022-12-16T17:11:58,541 adding 'kgcnn/literature/DimeNetPP.py' 2022-12-16T17:11:58,545 adding 'kgcnn/literature/EGNN.py' 2022-12-16T17:11:58,548 adding 'kgcnn/literature/GAT.py' 2022-12-16T17:11:58,552 adding 'kgcnn/literature/GATv2.py' 2022-12-16T17:11:58,555 adding 'kgcnn/literature/GCN.py' 2022-12-16T17:11:58,559 adding 'kgcnn/literature/GIN.py' 2022-12-16T17:11:58,564 adding 'kgcnn/literature/GNNExplain.py' 2022-12-16T17:11:58,567 adding 'kgcnn/literature/GNNFilm.py' 2022-12-16T17:11:58,571 adding 'kgcnn/literature/GraphSAGE.py' 2022-12-16T17:11:58,574 adding 'kgcnn/literature/HDNNP2nd.py' 2022-12-16T17:11:58,577 adding 'kgcnn/literature/HamNet.py' 2022-12-16T17:11:58,580 adding 'kgcnn/literature/INorp.py' 2022-12-16T17:11:58,584 adding 'kgcnn/literature/MAT.py' 2022-12-16T17:11:58,591 adding 'kgcnn/literature/MEGAN.py' 2022-12-16T17:11:58,595 adding 'kgcnn/literature/MXMNet.py' 2022-12-16T17:11:58,600 adding 'kgcnn/literature/Megnet.py' 2022-12-16T17:11:58,605 adding 'kgcnn/literature/NMPN.py' 2022-12-16T17:11:58,609 adding 'kgcnn/literature/PAiNN.py' 2022-12-16T17:11:58,612 adding 'kgcnn/literature/RGCN.py' 2022-12-16T17:11:58,616 adding 'kgcnn/literature/Schnet.py' 2022-12-16T17:11:58,619 adding 'kgcnn/literature/Unet.py' 2022-12-16T17:11:58,622 adding 'kgcnn/literature/__init__.py' 2022-12-16T17:11:58,625 adding 'kgcnn/md/__init__.py' 2022-12-16T17:11:58,627 adding 'kgcnn/md/ase_calc.py' 2022-12-16T17:11:58,630 adding 'kgcnn/md/base.py' 2022-12-16T17:11:58,632 adding 'kgcnn/md/newx_calc.py' 2022-12-16T17:11:58,636 adding 'kgcnn/metrics/__init__.py' 2022-12-16T17:11:58,638 adding 'kgcnn/metrics/loss.py' 2022-12-16T17:11:58,641 adding 'kgcnn/metrics/metrics.py' 2022-12-16T17:11:58,644 adding 'kgcnn/model/README.md' 2022-12-16T17:11:58,646 adding 'kgcnn/model/__init__.py' 2022-12-16T17:11:58,649 adding 'kgcnn/model/force.py' 2022-12-16T17:11:58,652 adding 'kgcnn/model/utils.py' 2022-12-16T17:11:58,655 adding 'kgcnn/mol/__init__.py' 2022-12-16T17:11:58,659 adding 'kgcnn/mol/base.py' 2022-12-16T17:11:58,663 adding 'kgcnn/mol/convert.py' 2022-12-16T17:11:58,665 adding 'kgcnn/mol/encoder.py' 2022-12-16T17:11:58,669 adding 'kgcnn/mol/graph_babel.py' 2022-12-16T17:11:58,674 adding 'kgcnn/mol/graph_rdkit.py' 2022-12-16T17:11:58,678 adding 'kgcnn/mol/io.py' 2022-12-16T17:11:58,682 adding 'kgcnn/mol/methods.py' 2022-12-16T17:11:58,684 adding 'kgcnn/mol/serial.py' 2022-12-16T17:11:58,687 adding 'kgcnn/mol/external/__init__.py' 2022-12-16T17:11:58,693 adding 'kgcnn/mol/external/ballloon.py' 2022-12-16T17:11:58,697 adding 'kgcnn/ops/__init__.py' 2022-12-16T17:11:58,700 adding 'kgcnn/ops/activ.py' 2022-12-16T17:11:58,702 adding 'kgcnn/ops/axis.py' 2022-12-16T17:11:58,704 adding 'kgcnn/ops/casting.py' 2022-12-16T17:11:58,707 adding 'kgcnn/ops/initializer.py' 2022-12-16T17:11:58,710 adding 'kgcnn/ops/partition.py' 2022-12-16T17:11:58,714 adding 'kgcnn/ops/polynom.py' 2022-12-16T17:11:58,716 adding 'kgcnn/ops/ragged.py' 2022-12-16T17:11:58,719 adding 'kgcnn/ops/scatter.py' 2022-12-16T17:11:58,721 adding 'kgcnn/ops/segment.py' 2022-12-16T17:11:58,723 adding 'kgcnn/ops/sorting.py' 2022-12-16T17:11:58,726 adding 'kgcnn/scaler/__init__.py' 2022-12-16T17:11:58,729 adding 'kgcnn/scaler/force.py' 2022-12-16T17:11:58,735 adding 'kgcnn/scaler/mol.py' 2022-12-16T17:11:58,738 adding 'kgcnn/scaler/scaler.py' 2022-12-16T17:11:58,741 adding 'kgcnn/scaler/serial.py' 2022-12-16T17:11:58,744 adding 'kgcnn/training/__init__.py' 2022-12-16T17:11:58,746 adding 'kgcnn/training/callbacks.py' 2022-12-16T17:11:58,749 adding 'kgcnn/training/history.py' 2022-12-16T17:11:58,752 adding 'kgcnn/training/optimizer.py' 2022-12-16T17:11:58,755 adding 'kgcnn/training/schedule.py' 2022-12-16T17:11:58,759 adding 'kgcnn/training/scheduler.py' 2022-12-16T17:11:58,763 adding 'kgcnn/utils/__init__.py' 2022-12-16T17:11:58,765 adding 'kgcnn/utils/cli.py' 2022-12-16T17:11:58,767 adding 'kgcnn/utils/devices.py' 2022-12-16T17:11:58,770 adding 'kgcnn/utils/models.py' 2022-12-16T17:11:58,772 adding 'kgcnn/utils/plots.py' 2022-12-16T17:11:58,775 adding 'kgcnn/utils/serial.py' 2022-12-16T17:11:58,778 adding 'kgcnn/xai/__init__.py' 2022-12-16T17:11:58,780 adding 'kgcnn/xai/base.py' 2022-12-16T17:11:58,783 adding 'kgcnn/xai/utils.py' 2022-12-16T17:11:58,789 adding 'test/__init__.py' 2022-12-16T17:11:58,791 adding 'test/test_adj.py' 2022-12-16T17:11:58,794 adding 'test/test_connect.py' 2022-12-16T17:11:58,796 adding 'test/test_conv_attention.py' 2022-12-16T17:11:58,799 adding 'test/test_conv_dmpnn.py' 2022-12-16T17:11:58,802 adding 'test/test_data_base.py' 2022-12-16T17:11:58,805 adding 'test/test_data_moleculenet.py' 2022-12-16T17:11:58,807 adding 'test/test_data_visual_graph.py' 2022-12-16T17:11:58,810 adding 'test/test_gather.py' 2022-12-16T17:11:58,813 adding 'test/test_geom.py' 2022-12-16T17:11:58,815 adding 'test/test_graph_base.py' 2022-12-16T17:11:58,818 adding 'test/test_literature_megan.py' 2022-12-16T17:11:58,821 adding 'test/test_pool_pooling.py' 2022-12-16T17:11:58,824 adding 'test/test_range_periodic.py' 2022-12-16T17:11:58,826 adding 'test/test_topk.py' 2022-12-16T17:11:58,829 adding 'test/test_xai_utils.py' 2022-12-16T17:11:58,831 adding 'test/utils.py' 2022-12-16T17:11:58,832 adding 'kgcnn-2.2.0.dist-info/AUTHORS' 2022-12-16T17:11:58,834 adding 'kgcnn-2.2.0.dist-info/LICENSE' 2022-12-16T17:11:58,840 adding 'kgcnn-2.2.0.dist-info/METADATA' 2022-12-16T17:11:58,842 adding 'kgcnn-2.2.0.dist-info/WHEEL' 2022-12-16T17:11:58,843 adding 'kgcnn-2.2.0.dist-info/top_level.txt' 2022-12-16T17:11:58,851 adding 'kgcnn-2.2.0.dist-info/RECORD' 2022-12-16T17:11:58,872 removing build/bdist.linux-armv7l/wheel 2022-12-16T17:11:59,213 Building wheel for kgcnn (setup.py): finished with status 'done' 2022-12-16T17:11:59,231 Created wheel for kgcnn: filename=kgcnn-2.2.0-py3-none-any.whl size=376645 sha256=c6008dfb7f56d78113f9336cbcddc3bc51ecb165c2c0832b31a9da9b8d4a89ff 2022-12-16T17:11:59,233 Stored in directory: /tmp/pip-ephem-wheel-cache-j0fkaxbw/wheels/de/03/7a/382ead8d36234dc483b5dd4c6c36f075c5976081af92608da2 2022-12-16T17:11:59,280 Successfully built kgcnn 2022-12-16T17:11:59,314 Removed build tracker: '/tmp/pip-build-tracker-ct772oyq'