2023-10-08T17:12:53,284 Created temporary directory: /tmp/pip-build-tracker-v_4lwr1a 2023-10-08T17:12:53,285 Initialized build tracking at /tmp/pip-build-tracker-v_4lwr1a 2023-10-08T17:12:53,286 Created build tracker: /tmp/pip-build-tracker-v_4lwr1a 2023-10-08T17:12:53,286 Entered build tracker: /tmp/pip-build-tracker-v_4lwr1a 2023-10-08T17:12:53,287 Created temporary directory: /tmp/pip-wheel-egr__5i1 2023-10-08T17:12:53,290 Created temporary directory: /tmp/pip-ephem-wheel-cache-m4cbbubv 2023-10-08T17:12:53,312 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-10-08T17:12:53,316 2 location(s) to search for versions of chemml: 2023-10-08T17:12:53,316 * https://pypi.org/simple/chemml/ 2023-10-08T17:12:53,316 * https://www.piwheels.org/simple/chemml/ 2023-10-08T17:12:53,317 Fetching project page and analyzing links: https://pypi.org/simple/chemml/ 2023-10-08T17:12:53,318 Getting page https://pypi.org/simple/chemml/ 2023-10-08T17:12:53,319 Found index url https://pypi.org/simple/ 2023-10-08T17:12:53,536 Fetched page https://pypi.org/simple/chemml/ as application/vnd.pypi.simple.v1+json 2023-10-08T17:12:53,543 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/38/40/b18f747a6caafe74cb0cbb789cf421363efad23da0a9ae7f5c07723d7670/chemml-0.4.1-py2-none-any.whl (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,544 Link requires a different Python (3.11.2 not in: '>=2.7, <3'): https://files.pythonhosted.org/packages/38/eb/b9718212d4b76074778eb214359d975ab98e01740fabab8e5786e5073c19/chemml-0.4.1.tar.gz (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,545 Skipping link: 0.4.1 Requires-Python >=2.7, <3: https://files.pythonhosted.org/packages/38/eb/b9718212d4b76074778eb214359d975ab98e01740fabab8e5786e5073c19/chemml-0.4.1.tar.gz (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,546 Link requires a different Python (3.11.2 not in: '>=2.7, <3'): https://files.pythonhosted.org/packages/4f/10/5c01675f1c2450d50fc9d0105021c1f8d11d338dd26881a3c868e931bef5/chemml-0.4.2.tar.gz (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,546 Skipping link: 0.4.2 Requires-Python >=2.7, <3: https://files.pythonhosted.org/packages/4f/10/5c01675f1c2450d50fc9d0105021c1f8d11d338dd26881a3c868e931bef5/chemml-0.4.2.tar.gz (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,547 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/0a/aa/720871d285755c7e6ea715dc0f40b4873f90910998760c066826c9088904/chemml-0.4.3-py2-none-any.whl (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,548 Link requires a different Python (3.11.2 not in: '>=2.7, <3'): https://files.pythonhosted.org/packages/a1/44/f4ff3cc0f06cb170ca630f2f5e70812c461b5da124cac67c9a71a0005f92/chemml-0.4.3.tar.gz (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,548 Skipping link: 0.4.3 Requires-Python >=2.7, <3: https://files.pythonhosted.org/packages/a1/44/f4ff3cc0f06cb170ca630f2f5e70812c461b5da124cac67c9a71a0005f92/chemml-0.4.3.tar.gz (from https://pypi.org/simple/chemml/) (requires-python:>=2.7, <3) 2023-10-08T17:12:53,549 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/a4/2e/782e440cb264f5dffc61816c8aa3718e1ef07bef73dec436502e63ecac20/chemml-0.5.0-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,550 Found link https://files.pythonhosted.org/packages/66/86/a2ede5e0fa1c736c25786fcdb7b61b61f3893a1f82d094c1209c58f712e4/chemml-0.5.0.tar.gz (from https://pypi.org/simple/chemml/), version: 0.5.0 2023-10-08T17:12:53,551 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/cf/13/7467e8cd3001678ab47a59e671652fbe5d530621f78ac98ff2964646262c/chemml-0.5.1-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,551 Found link https://files.pythonhosted.org/packages/ea/e5/77ed27bdd4fd2725fd1c799a9858bd7350db292c62245419763fcaaa9a03/chemml-0.5.1.tar.gz (from https://pypi.org/simple/chemml/), version: 0.5.1 2023-10-08T17:12:53,552 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/c5/de/57a0bf974755e30a26f340a68e3fc4910148246f69e489c111a65fd4793e/chemml-0.5.2-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,553 Found link https://files.pythonhosted.org/packages/b0/aa/d53bbcb38b893a929d9af8062f10a60597433548bc1d70f77602fa837081/chemml-0.5.2.tar.gz (from https://pypi.org/simple/chemml/), version: 0.5.2 2023-10-08T17:12:53,553 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/40/8b/aefb694dee9dae429d065dbdffca1b87d0a5cce44e0019cc910698c4ded4/chemml-0.5.3-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,554 Found link https://files.pythonhosted.org/packages/d4/6d/efcc6cde105ac2ecaacc69d976a84d6c873e7afca5e50b589922157bbd25/chemml-0.5.3.tar.gz (from https://pypi.org/simple/chemml/), version: 0.5.3 2023-10-08T17:12:53,555 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/45/49/d3ff1876b32a6df061023cfe48653fe742b2cccb47eb6f7694ab921290dd/chemml-0.5.4-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,555 Found link https://files.pythonhosted.org/packages/4d/d5/daec6f5f66ef7118a31f45c26b1a8f07307fadb5878d5b9c1543361a491a/chemml-0.5.4.tar.gz (from https://pypi.org/simple/chemml/), version: 0.5.4 2023-10-08T17:12:53,556 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/21/81/79a0c5bb64588b76ad666cb2fb1c00425b00c45f1bed9f96546580532843/chemml-0.5.5-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,556 Found link https://files.pythonhosted.org/packages/c6/15/08e5179c971d58708b24de0d274c25c28206c2acb3094cc436fc9622bd1e/chemml-0.5.5.tar.gz (from https://pypi.org/simple/chemml/), version: 0.5.5 2023-10-08T17:12:53,557 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/fe/c0/4f84934273573ccac14a4920e2cb78a5054f498d970230dcc300da3eef76/chemml-0.6.0-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,557 Found link https://files.pythonhosted.org/packages/ab/03/4c560b1dfb6ec6b7f250c4b950086e21ec734edf8d2b05c02f0e38dcdebf/chemml-0.6.0.tar.gz (from https://pypi.org/simple/chemml/), version: 0.6.0 2023-10-08T17:12:53,558 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/da/2c/6f690b56105e8932a7bb12c9c075451fa357a0ce4a520169e66495bb2d87/chemml-0.7.0-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,558 Found link https://files.pythonhosted.org/packages/da/9b/1ca4cdd61af4ffc257efbe6e5ff75bab9f749e02e6c2f55b04cf62ab4ba2/chemml-0.7.0.tar.gz (from https://pypi.org/simple/chemml/), version: 0.7.0 2023-10-08T17:12:53,559 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/3b/c7/fb09a246507a9f2f6049dfcf60c04d73fe95740fe94278d1ec44c6523060/chemml-0.7.1-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,560 Found link https://files.pythonhosted.org/packages/c8/e7/f3f629dce2de321ee993d1514496d88d1e28e26cef4c97ba7abaf98078e3/chemml-0.7.1.tar.gz (from https://pypi.org/simple/chemml/), version: 0.7.1 2023-10-08T17:12:53,560 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/fb/5b/34d8f758c3773cf0107a00a0dc79ff60d35cec78b8b50ae58db0f25bf5ee/chemml-0.8-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,561 Found link https://files.pythonhosted.org/packages/66/13/60f6d23d23bcdc14f1fcf24f1e916391288c6e90838a30eb8cdd621bf115/chemml-0.8.tar.gz (from https://pypi.org/simple/chemml/), version: 0.8 2023-10-08T17:12:53,561 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/6f/20/70df7e1a3847d06bcf63d0fee40709f0793613c6b2519436f4f2aca7ad15/chemml-1.0-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,562 Found link https://files.pythonhosted.org/packages/45/ee/da08e027dd8e559645a684ccfe6d77db5fae15d9d1fe7bafee0412668444/chemml-1.0.tar.gz (from https://pypi.org/simple/chemml/), version: 1.0 2023-10-08T17:12:53,563 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/b3/a9/0f30f6c90904a39464e35d61e571b2b45009581362243acf0f5121a3b58d/chemml-1.1-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,564 Found link https://files.pythonhosted.org/packages/bb/19/a1e2a5f46c06d26b3d2a31fb008631c989cfde1504479fd241e7bdae5100/chemml-1.1.tar.gz (from https://pypi.org/simple/chemml/), version: 1.1 2023-10-08T17:12:53,564 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/1c/d8/c81a16fe6ff264a0153922a74e82f740588e332801c8f263a3a7ea6eafdc/chemml-1.2-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,565 Found link https://files.pythonhosted.org/packages/2c/8f/b625c0f8f7e606b4f31fff8637e38555d38d34756b34e85b8acca39b3f99/chemml-1.2.tar.gz (from https://pypi.org/simple/chemml/), version: 1.2 2023-10-08T17:12:53,565 Skipping link: No binaries permitted for chemml: https://files.pythonhosted.org/packages/e5/c8/f4b29b7d43a9c9ad40d56fb61693c9ca812dd8ded9856dd5d91e040525b3/chemml-1.3-py3-none-any.whl (from https://pypi.org/simple/chemml/) 2023-10-08T17:12:53,566 Found link https://files.pythonhosted.org/packages/2e/55/178d74ff57b0dc1cb9d5b4b3e5b9e836463a5596813a6a74b6ab6e658da4/chemml-1.3.tar.gz (from https://pypi.org/simple/chemml/), version: 1.3 2023-10-08T17:12:53,566 Fetching project page and analyzing links: https://www.piwheels.org/simple/chemml/ 2023-10-08T17:12:53,567 Getting page https://www.piwheels.org/simple/chemml/ 2023-10-08T17:12:53,568 Found index url https://www.piwheels.org/simple/ 2023-10-08T17:12:53,734 Fetched page https://www.piwheels.org/simple/chemml/ as text/html 2023-10-08T17:12:53,738 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-1.2-py3-none-any.whl#sha256=94878794992011182266c45440dfc9406da3b1dfe0b1b147bd483fa69e37c2be (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,739 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-1.1-py3-none-any.whl#sha256=db1649d73edbfe16b10f79c475fde32fd8f8367d2d3a675273e7ad78ada979d8 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,740 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-1.0-py3-none-any.whl#sha256=ead9e78f89415672e070a13db53ed25ee51a3cb3c28f33fd6810b8d261337c1f (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,740 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.8-py3-none-any.whl#sha256=c6a191de1e29f6428d350d80dfce3fbbfeaba898419919103ed21a8dbf03d0b0 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,741 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.7.1-py3-none-any.whl#sha256=34f7a6e2619796bdce1d5bd4bb405768f5f94e4d7e320aeed758579ff3eea943 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,741 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.7.0-py3-none-any.whl#sha256=3412e3d47e1f42a13f42674647091d3fa0f846119cc649573b1625d5c13a7af7 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,742 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.6.0-py3-none-any.whl#sha256=4c3a824be46a5cb3a37458f2483950f066ca6e980db250cdce127ac4318455cb (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,742 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.5.5-py3-none-any.whl#sha256=b4130ea00b130dae8a2c826b398590da6b04ea1c560c62fd92d1bd8c141be746 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,743 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.5.4-py3-none-any.whl#sha256=77d92cc10a00df600332c43ea61e1b795502a07700342385c855240a34536947 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,744 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.5.3-py3-none-any.whl#sha256=4c73c7da5530f27c75af1d25390c306fb0444453a45bfc917f1989d16f5876ec (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,744 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.5.2-py3-none-any.whl#sha256=1e664923f9baed84a95eb99d38f03c19371cf3e15101e7278a92f29856aa7801 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,745 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.5.1-py3-none-any.whl#sha256=d10b2d7ceb2d2faf427986a12579b436b9711b156d56960c45b89b9fd4733c25 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,745 Skipping link: No binaries permitted for chemml: https://www.piwheels.org/simple/chemml/chemml-0.5.0-py3-none-any.whl#sha256=0b19f1b322ff0acead2a41afe5ef0eab77ab845948825cba56f01cb2f4dabde4 (from https://www.piwheels.org/simple/chemml/) 2023-10-08T17:12:53,746 Skipping link: not a file: https://www.piwheels.org/simple/chemml/ 2023-10-08T17:12:53,746 Skipping link: not a file: https://pypi.org/simple/chemml/ 2023-10-08T17:12:53,766 Given no hashes to check 1 links for project 'chemml': discarding no candidates 2023-10-08T17:12:53,784 Collecting chemml==1.3 2023-10-08T17:12:53,786 Created temporary directory: /tmp/pip-unpack-d7wkzfhm 2023-10-08T17:12:54,070 Downloading chemml-1.3.tar.gz (52.8 MB) 2023-10-08T17:13:07,366 Added chemml==1.3 from https://files.pythonhosted.org/packages/2e/55/178d74ff57b0dc1cb9d5b4b3e5b9e836463a5596813a6a74b6ab6e658da4/chemml-1.3.tar.gz to build tracker '/tmp/pip-build-tracker-v_4lwr1a' 2023-10-08T17:13:07,368 Running setup.py (path:/tmp/pip-wheel-egr__5i1/chemml_8d12f767ce4c492a8563a967232246ef/setup.py) egg_info for package chemml 2023-10-08T17:13:07,368 Created temporary directory: /tmp/pip-pip-egg-info-8ae7ng5w 2023-10-08T17:13:07,369 Preparing metadata (setup.py): started 2023-10-08T17:13:07,370 Running command python setup.py egg_info 2023-10-08T17:13:08,404 running egg_info 2023-10-08T17:13:08,405 creating /tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info 2023-10-08T17:13:08,429 writing /tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/PKG-INFO 2023-10-08T17:13:08,436 writing dependency_links to /tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/dependency_links.txt 2023-10-08T17:13:08,439 writing requirements to /tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/requires.txt 2023-10-08T17:13:08,440 writing top-level names to /tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/top_level.txt 2023-10-08T17:13:08,442 writing manifest file '/tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/SOURCES.txt' 2023-10-08T17:13:08,540 reading manifest file '/tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/SOURCES.txt' 2023-10-08T17:13:08,541 reading manifest template 'MANIFEST.in' 2023-10-08T17:13:08,607 adding license file 'LICENSE' 2023-10-08T17:13:08,618 writing manifest file '/tmp/pip-pip-egg-info-8ae7ng5w/chemml.egg-info/SOURCES.txt' 2023-10-08T17:13:08,726 Preparing metadata (setup.py): finished with status 'done' 2023-10-08T17:13:08,730 Source in /tmp/pip-wheel-egr__5i1/chemml_8d12f767ce4c492a8563a967232246ef has version 1.3, which satisfies requirement chemml==1.3 from https://files.pythonhosted.org/packages/2e/55/178d74ff57b0dc1cb9d5b4b3e5b9e836463a5596813a6a74b6ab6e658da4/chemml-1.3.tar.gz 2023-10-08T17:13:08,731 Removed chemml==1.3 from https://files.pythonhosted.org/packages/2e/55/178d74ff57b0dc1cb9d5b4b3e5b9e836463a5596813a6a74b6ab6e658da4/chemml-1.3.tar.gz from build tracker '/tmp/pip-build-tracker-v_4lwr1a' 2023-10-08T17:13:08,736 Created temporary directory: /tmp/pip-unpack-ahb82hx8 2023-10-08T17:13:08,737 Created temporary directory: /tmp/pip-unpack-h97rwtuq 2023-10-08T17:13:08,778 Building wheels for collected packages: chemml 2023-10-08T17:13:08,782 Created temporary directory: /tmp/pip-wheel-cqgnhgfu 2023-10-08T17:13:08,782 Building wheel for chemml (setup.py): started 2023-10-08T17:13:08,783 Destination directory: /tmp/pip-wheel-cqgnhgfu 2023-10-08T17:13:08,784 Running command python setup.py bdist_wheel 2023-10-08T17:13:09,840 running bdist_wheel 2023-10-08T17:13:09,936 running build 2023-10-08T17:13:09,938 running build_py 2023-10-08T17:13:09,964 creating build 2023-10-08T17:13:09,965 creating build/lib 2023-10-08T17:13:09,965 creating build/lib/chemml 2023-10-08T17:13:09,966 copying chemml/__init__.py -> build/lib/chemml 2023-10-08T17:13:09,969 creating build/lib/chemml/explain 2023-10-08T17:13:09,969 copying chemml/explain/visualize.py -> build/lib/chemml/explain 2023-10-08T17:13:09,972 copying chemml/explain/explain.py -> build/lib/chemml/explain 2023-10-08T17:13:09,974 copying chemml/explain/__init__.py -> build/lib/chemml/explain 2023-10-08T17:13:09,976 creating build/lib/chemml/initialization 2023-10-08T17:13:09,977 copying chemml/initialization/__init__.py -> build/lib/chemml/initialization 2023-10-08T17:13:09,979 copying chemml/initialization/initialization.py -> build/lib/chemml/initialization 2023-10-08T17:13:09,982 creating build/lib/chemml/optimization 2023-10-08T17:13:09,983 copying chemml/optimization/active.py -> build/lib/chemml/optimization 2023-10-08T17:13:09,986 copying chemml/optimization/__init__.py -> build/lib/chemml/optimization 2023-10-08T17:13:09,988 copying chemml/optimization/genetic_algorithm.py -> build/lib/chemml/optimization 2023-10-08T17:13:09,991 creating build/lib/chemml/wrapper 2023-10-08T17:13:09,992 copying chemml/wrapper/base.py -> build/lib/chemml/wrapper 2023-10-08T17:13:09,995 copying chemml/wrapper/interfaces.py -> build/lib/chemml/wrapper 2023-10-08T17:13:09,997 copying chemml/wrapper/__init__.py -> build/lib/chemml/wrapper 2023-10-08T17:13:09,999 copying chemml/wrapper/engine.py -> build/lib/chemml/wrapper 2023-10-08T17:13:10,003 creating build/lib/chemml/utils 2023-10-08T17:13:10,003 copying chemml/utils/utilities.py -> build/lib/chemml/utils 2023-10-08T17:13:10,006 copying chemml/utils/validation.py -> build/lib/chemml/utils 2023-10-08T17:13:10,008 copying chemml/utils/__init__.py -> build/lib/chemml/utils 2023-10-08T17:13:10,011 creating build/lib/chemml/chem 2023-10-08T17:13:10,011 copying chemml/chem/RDKFP.py -> build/lib/chemml/chem 2023-10-08T17:13:10,014 copying chemml/chem/local_features.py -> build/lib/chemml/chem 2023-10-08T17:13:10,016 copying chemml/chem/CoulMat.py -> build/lib/chemml/chem 2023-10-08T17:13:10,019 copying chemml/chem/Dragon.py -> build/lib/chemml/chem 2023-10-08T17:13:10,021 copying chemml/chem/molecule.py -> build/lib/chemml/chem 2023-10-08T17:13:10,024 copying chemml/chem/__init__.py -> build/lib/chemml/chem 2023-10-08T17:13:10,026 creating build/lib/chemml/datasets 2023-10-08T17:13:10,027 copying chemml/datasets/base.py -> build/lib/chemml/datasets 2023-10-08T17:13:10,029 copying chemml/datasets/__init__.py -> build/lib/chemml/datasets 2023-10-08T17:13:10,031 creating build/lib/chemml/visualization 2023-10-08T17:13:10,032 copying chemml/visualization/__init__.py -> build/lib/chemml/visualization 2023-10-08T17:13:10,034 copying chemml/visualization/visualization.py -> build/lib/chemml/visualization 2023-10-08T17:13:10,037 creating build/lib/chemml/preprocessing 2023-10-08T17:13:10,038 copying chemml/preprocessing/handle_missing.py -> build/lib/chemml/preprocessing 2023-10-08T17:13:10,040 copying chemml/preprocessing/__init__.py -> build/lib/chemml/preprocessing 2023-10-08T17:13:10,042 creating build/lib/chemml/models 2023-10-08T17:13:10,043 copying chemml/models/graphconvlayers.py -> build/lib/chemml/models 2023-10-08T17:13:10,046 copying chemml/models/transfer.py -> build/lib/chemml/models 2023-10-08T17:13:10,048 copying chemml/models/__init__.py -> build/lib/chemml/models 2023-10-08T17:13:10,050 copying chemml/models/mlp.py -> build/lib/chemml/models 2023-10-08T17:13:10,053 creating build/lib/chemml/autoML 2023-10-08T17:13:10,054 copying chemml/autoML/models_dict.py -> build/lib/chemml/autoML 2023-10-08T17:13:10,056 copying chemml/autoML/model_screener.py -> build/lib/chemml/autoML 2023-10-08T17:13:10,058 copying chemml/autoML/space.py -> build/lib/chemml/autoML 2023-10-08T17:13:10,060 copying chemml/autoML/__init__.py -> build/lib/chemml/autoML 2023-10-08T17:13:10,062 creating build/lib/chemml/published 2023-10-08T17:13:10,063 copying chemml/published/__init__.py -> build/lib/chemml/published 2023-10-08T17:13:10,065 creating build/lib/chemml/wrapper/metadata 2023-10-08T17:13:10,066 copying chemml/wrapper/metadata/__init__.py -> build/lib/chemml/wrapper/metadata 2023-10-08T17:13:10,068 creating build/lib/chemml/wrapper/chemml_cml 2023-10-08T17:13:10,069 copying chemml/wrapper/chemml_cml/__init__.py -> build/lib/chemml/wrapper/chemml_cml 2023-10-08T17:13:10,070 copying chemml/wrapper/chemml_cml/chemml_wrapper.py -> build/lib/chemml/wrapper/chemml_cml 2023-10-08T17:13:10,075 creating build/lib/chemml/wrapper/notebook 2023-10-08T17:13:10,076 copying chemml/wrapper/notebook/main.py -> build/lib/chemml/wrapper/notebook 2023-10-08T17:13:10,079 copying chemml/wrapper/notebook/templates.py -> build/lib/chemml/wrapper/notebook 2023-10-08T17:13:10,082 copying chemml/wrapper/notebook/tutorials.py -> build/lib/chemml/wrapper/notebook 2023-10-08T17:13:10,083 copying chemml/wrapper/notebook/__init__.py -> build/lib/chemml/wrapper/notebook 2023-10-08T17:13:10,085 copying chemml/wrapper/notebook/TSHF.py -> build/lib/chemml/wrapper/notebook 2023-10-08T17:13:10,087 creating build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,088 copying chemml/wrapper/sklearn_skl/KernelRidge_wrapper.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,090 copying chemml/wrapper/sklearn_skl/scorer_regression.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,092 copying chemml/wrapper/sklearn_skl/LeaveOneOut.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,093 copying chemml/wrapper/sklearn_skl/syntax.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,096 copying chemml/wrapper/sklearn_skl/KFold_wrapper.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,098 copying chemml/wrapper/sklearn_skl/train_test_split_wrapper.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,099 copying chemml/wrapper/sklearn_skl/__init__.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,101 copying chemml/wrapper/sklearn_skl/sklearn_wrapper.py -> build/lib/chemml/wrapper/sklearn_skl 2023-10-08T17:13:10,104 creating build/lib/chemml/wrapper/preprocessing 2023-10-08T17:13:10,105 copying chemml/wrapper/preprocessing/miscellaneous.py -> build/lib/chemml/wrapper/preprocessing 2023-10-08T17:13:10,107 copying chemml/wrapper/preprocessing/__init__.py -> build/lib/chemml/wrapper/preprocessing 2023-10-08T17:13:10,109 creating build/lib/chemml/wrapper/database 2023-10-08T17:13:10,110 copying chemml/wrapper/database/sklearn_db.py -> build/lib/chemml/wrapper/database 2023-10-08T17:13:10,113 copying chemml/wrapper/database/pandas_db.py -> build/lib/chemml/wrapper/database 2023-10-08T17:13:10,116 copying chemml/wrapper/database/containers.py -> build/lib/chemml/wrapper/database 2023-10-08T17:13:10,118 copying chemml/wrapper/database/__init__.py -> build/lib/chemml/wrapper/database 2023-10-08T17:13:10,119 copying chemml/wrapper/database/chemml_db.py -> build/lib/chemml/wrapper/database 2023-10-08T17:13:10,123 creating build/lib/chemml/wrapper/pandas_pd 2023-10-08T17:13:10,124 copying chemml/wrapper/pandas_pd/__init__.py -> build/lib/chemml/wrapper/pandas_pd 2023-10-08T17:13:10,125 copying chemml/wrapper/pandas_pd/pandas_wrapper.py -> build/lib/chemml/wrapper/pandas_pd 2023-10-08T17:13:10,128 creating build/lib/chemml/chem/magpie_python 2023-10-08T17:13:10,129 copying chemml/chem/magpie_python/__init__.py -> build/lib/chemml/chem/magpie_python 2023-10-08T17:13:10,132 creating build/lib/chemml/chem/magpie_python/vassal 2023-10-08T17:13:10,132 copying chemml/chem/magpie_python/vassal/__init__.py -> build/lib/chemml/chem/magpie_python/vassal 2023-10-08T17:13:10,134 creating build/lib/chemml/chem/magpie_python/data 2023-10-08T17:13:10,135 copying chemml/chem/magpie_python/data/__init__.py -> build/lib/chemml/chem/magpie_python/data 2023-10-08T17:13:10,137 creating build/lib/chemml/chem/magpie_python/models 2023-10-08T17:13:10,138 copying chemml/chem/magpie_python/models/__init__.py -> build/lib/chemml/chem/magpie_python/models 2023-10-08T17:13:10,140 creating build/lib/chemml/chem/magpie_python/utility 2023-10-08T17:13:10,141 copying chemml/chem/magpie_python/utility/EqualSumCombinations.py -> build/lib/chemml/chem/magpie_python/utility 2023-10-08T17:13:10,142 copying chemml/chem/magpie_python/utility/__init__.py -> build/lib/chemml/chem/magpie_python/utility 2023-10-08T17:13:10,144 creating build/lib/chemml/chem/magpie_python/attributes 2023-10-08T17:13:10,145 copying chemml/chem/magpie_python/attributes/__init__.py -> build/lib/chemml/chem/magpie_python/attributes 2023-10-08T17:13:10,147 creating build/lib/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:10,148 copying chemml/chem/magpie_python/vassal/analysis/PairDistanceAnalysis.py -> build/lib/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:10,150 copying chemml/chem/magpie_python/vassal/analysis/APRDFAnalysis.py -> build/lib/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:10,152 copying chemml/chem/magpie_python/vassal/analysis/__init__.py -> build/lib/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:10,154 copying chemml/chem/magpie_python/vassal/analysis/VoronoiCellBasedAnalysis.py -> build/lib/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:10,157 creating build/lib/chemml/chem/magpie_python/vassal/util 2023-10-08T17:13:10,158 copying chemml/chem/magpie_python/vassal/util/VectorCombinationComputer.py -> build/lib/chemml/chem/magpie_python/vassal/util 2023-10-08T17:13:10,160 copying chemml/chem/magpie_python/vassal/util/__init__.py -> build/lib/chemml/chem/magpie_python/vassal/util 2023-10-08T17:13:10,162 creating build/lib/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:10,162 copying chemml/chem/magpie_python/vassal/data/AtomImage.py -> build/lib/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:10,165 copying chemml/chem/magpie_python/vassal/data/Atom.py -> build/lib/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:10,167 copying chemml/chem/magpie_python/vassal/data/Cell.py -> build/lib/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:10,170 copying chemml/chem/magpie_python/vassal/data/__init__.py -> build/lib/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:10,171 creating build/lib/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:10,172 copying chemml/chem/magpie_python/vassal/geometry/Line.py -> build/lib/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:10,175 copying chemml/chem/magpie_python/vassal/geometry/__init__.py -> build/lib/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:10,176 copying chemml/chem/magpie_python/vassal/geometry/Plane.py -> build/lib/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:10,179 creating build/lib/chemml/chem/magpie_python/vassal/io 2023-10-08T17:13:10,180 copying chemml/chem/magpie_python/vassal/io/VASP5IO.py -> build/lib/chemml/chem/magpie_python/vassal/io 2023-10-08T17:13:10,182 copying chemml/chem/magpie_python/vassal/io/__init__.py -> build/lib/chemml/chem/magpie_python/vassal/io 2023-10-08T17:13:10,184 creating build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,185 copying chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiVertex.py -> build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,187 copying chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiTessellationCalculator.py -> build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,189 copying chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiCell.py -> build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,191 copying chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiEdge.py -> build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,194 copying chemml/chem/magpie_python/vassal/analysis/voronoi/__init__.py -> build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,195 copying chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiFace.py -> build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:10,198 creating build/lib/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:10,198 copying chemml/chem/magpie_python/data/materials/CompositionEntry.py -> build/lib/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:10,201 copying chemml/chem/magpie_python/data/materials/__init__.py -> build/lib/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:10,202 copying chemml/chem/magpie_python/data/materials/CrystalStructureEntry.py -> build/lib/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:10,205 creating build/lib/chemml/chem/magpie_python/data/utilities 2023-10-08T17:13:10,205 copying chemml/chem/magpie_python/data/utilities/__init__.py -> build/lib/chemml/chem/magpie_python/data/utilities 2023-10-08T17:13:10,207 creating build/lib/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:10,208 copying chemml/chem/magpie_python/data/materials/util/GCLPCalculator.py -> build/lib/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:10,210 copying chemml/chem/magpie_python/data/materials/util/LookUpData.py -> build/lib/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:10,212 copying chemml/chem/magpie_python/data/materials/util/__init__.py -> build/lib/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:10,214 creating build/lib/chemml/chem/magpie_python/data/utilities/filters 2023-10-08T17:13:10,215 copying chemml/chem/magpie_python/data/utilities/filters/CompositionDistanceFilter.py -> build/lib/chemml/chem/magpie_python/data/utilities/filters 2023-10-08T17:13:10,217 copying chemml/chem/magpie_python/data/utilities/filters/__init__.py -> build/lib/chemml/chem/magpie_python/data/utilities/filters 2023-10-08T17:13:10,219 creating build/lib/chemml/chem/magpie_python/data/utilities/generators 2023-10-08T17:13:10,220 copying chemml/chem/magpie_python/data/utilities/generators/__init__.py -> build/lib/chemml/chem/magpie_python/data/utilities/generators 2023-10-08T17:13:10,221 copying chemml/chem/magpie_python/data/utilities/generators/PhaseDiagramCompositionEntryGenerator.py -> build/lib/chemml/chem/magpie_python/data/utilities/generators 2023-10-08T17:13:10,224 creating build/lib/chemml/chem/magpie_python/models/regression 2023-10-08T17:13:10,225 copying chemml/chem/magpie_python/models/regression/__init__.py -> build/lib/chemml/chem/magpie_python/models/regression 2023-10-08T17:13:10,227 creating build/lib/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:10,228 copying chemml/chem/magpie_python/models/regression/crystal/CoulombSineMatrixRegression.py -> build/lib/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:10,230 copying chemml/chem/magpie_python/models/regression/crystal/PRDFRegression.py -> build/lib/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:10,232 copying chemml/chem/magpie_python/models/regression/crystal/__init__.py -> build/lib/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:10,234 creating build/lib/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:10,235 copying chemml/chem/magpie_python/utility/tools/IonicCompoundFinder.py -> build/lib/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:10,237 copying chemml/chem/magpie_python/utility/tools/OxidationStateGuesser.py -> build/lib/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:10,239 copying chemml/chem/magpie_python/utility/tools/__init__.py -> build/lib/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:10,241 creating build/lib/chemml/chem/magpie_python/attributes/generators 2023-10-08T17:13:10,242 copying chemml/chem/magpie_python/attributes/generators/__init__.py -> build/lib/chemml/chem/magpie_python/attributes/generators 2023-10-08T17:13:10,245 creating build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,245 copying chemml/chem/magpie_python/attributes/generators/composition/ElementPairPropertyAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,248 copying chemml/chem/magpie_python/attributes/generators/composition/ElementFractionAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,249 copying chemml/chem/magpie_python/attributes/generators/composition/ChargeDependentAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,251 copying chemml/chem/magpie_python/attributes/generators/composition/ElementalPropertyAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,253 copying chemml/chem/magpie_python/attributes/generators/composition/APEAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,256 copying chemml/chem/magpie_python/attributes/generators/composition/YangOmegaAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,258 copying chemml/chem/magpie_python/attributes/generators/composition/StoichiometricAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,260 copying chemml/chem/magpie_python/attributes/generators/composition/GCLPAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,262 copying chemml/chem/magpie_python/attributes/generators/composition/IonicityAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,264 copying chemml/chem/magpie_python/attributes/generators/composition/MeredigAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,266 copying chemml/chem/magpie_python/attributes/generators/composition/__init__.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,267 copying chemml/chem/magpie_python/attributes/generators/composition/IonicCompoundProximityAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,269 copying chemml/chem/magpie_python/attributes/generators/composition/ValenceShellAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:10,272 creating build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,273 copying chemml/chem/magpie_python/attributes/generators/crystal/EffectiveCoordinationNumberAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,276 copying chemml/chem/magpie_python/attributes/generators/crystal/StructuralHeterogeneityAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,278 copying chemml/chem/magpie_python/attributes/generators/crystal/CoulombMatrixAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,280 copying chemml/chem/magpie_python/attributes/generators/crystal/LocalPropertyDifferenceAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,282 copying chemml/chem/magpie_python/attributes/generators/crystal/PackingEfficiencyAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,284 copying chemml/chem/magpie_python/attributes/generators/crystal/CoordinationNumberAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,285 copying chemml/chem/magpie_python/attributes/generators/crystal/LatticeSimilarityAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,287 copying chemml/chem/magpie_python/attributes/generators/crystal/PRDFAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,289 copying chemml/chem/magpie_python/attributes/generators/crystal/ChemicalOrderingAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,291 copying chemml/chem/magpie_python/attributes/generators/crystal/__init__.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,293 copying chemml/chem/magpie_python/attributes/generators/crystal/LocalPropertyVarianceAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,294 copying chemml/chem/magpie_python/attributes/generators/crystal/APRDFAttributeGenerator.py -> build/lib/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:10,296 creating build/lib/chemml/published/RI 2023-10-08T17:13:10,297 copying chemml/published/RI/lorentz_lorenz.py -> build/lib/chemml/published/RI 2023-10-08T17:13:10,300 copying chemml/published/RI/__init__.py -> build/lib/chemml/published/RI 2023-10-08T17:13:10,302 creating build/lib/chemml/published/RI/input_files 2023-10-08T17:13:10,302 copying chemml/published/RI/input_files/__init__.py -> build/lib/chemml/published/RI/input_files 2023-10-08T17:13:10,304 copying chemml/published/RI/input_files/load.py -> build/lib/chemml/published/RI/input_files 2023-10-08T17:13:10,307 running egg_info 2023-10-08T17:13:10,362 writing chemml.egg-info/PKG-INFO 2023-10-08T17:13:10,369 writing dependency_links to chemml.egg-info/dependency_links.txt 2023-10-08T17:13:10,372 writing requirements to chemml.egg-info/requires.txt 2023-10-08T17:13:10,373 writing top-level names to chemml.egg-info/top_level.txt 2023-10-08T17:13:10,427 reading manifest file 'chemml.egg-info/SOURCES.txt' 2023-10-08T17:13:10,436 reading manifest template 'MANIFEST.in' 2023-10-08T17:13:10,503 adding license file 'LICENSE' 2023-10-08T17:13:10,518 writing manifest file 'chemml.egg-info/SOURCES.txt' 2023-10-08T17:13:10,526 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.datasets.data' is absent from the `packages` configuration. 2023-10-08T17:13:10,526 !! 2023-10-08T17:13:10,527 ******************************************************************************** 2023-10-08T17:13:10,528 ############################ 2023-10-08T17:13:10,529 # Package would be ignored # 2023-10-08T17:13:10,529 ############################ 2023-10-08T17:13:10,530 Python recognizes 'chemml.datasets.data' as an importable package[^1], 2023-10-08T17:13:10,530 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,531 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,532 package, please make sure that 'chemml.datasets.data' is explicitly added 2023-10-08T17:13:10,532 to the `packages` configuration field. 2023-10-08T17:13:10,533 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,534 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,535 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,536 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,537 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,538 If you don't want 'chemml.datasets.data' to be distributed and are 2023-10-08T17:13:10,539 already explicitly excluding 'chemml.datasets.data' via 2023-10-08T17:13:10,539 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,539 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,540 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,541 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,541 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,543 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,543 even if it does not contain any `.py` files. 2023-10-08T17:13:10,543 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,544 directory, all directories are treated like packages. 2023-10-08T17:13:10,544 ******************************************************************************** 2023-10-08T17:13:10,545 !! 2023-10-08T17:13:10,545 check.warn(importable) 2023-10-08T17:13:10,546 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.datasets.data.magpie_python_test' is absent from the `packages` configuration. 2023-10-08T17:13:10,546 !! 2023-10-08T17:13:10,547 ******************************************************************************** 2023-10-08T17:13:10,548 ############################ 2023-10-08T17:13:10,549 # Package would be ignored # 2023-10-08T17:13:10,549 ############################ 2023-10-08T17:13:10,550 Python recognizes 'chemml.datasets.data.magpie_python_test' as an importable package[^1], 2023-10-08T17:13:10,550 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,551 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,552 package, please make sure that 'chemml.datasets.data.magpie_python_test' is explicitly added 2023-10-08T17:13:10,553 to the `packages` configuration field. 2023-10-08T17:13:10,554 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,554 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,555 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,556 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,557 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,558 If you don't want 'chemml.datasets.data.magpie_python_test' to be distributed and are 2023-10-08T17:13:10,560 already explicitly excluding 'chemml.datasets.data.magpie_python_test' via 2023-10-08T17:13:10,565 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,565 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,566 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,567 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,568 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,570 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,570 even if it does not contain any `.py` files. 2023-10-08T17:13:10,571 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,571 directory, all directories are treated like packages. 2023-10-08T17:13:10,572 ******************************************************************************** 2023-10-08T17:13:10,573 !! 2023-10-08T17:13:10,573 check.warn(importable) 2023-10-08T17:13:10,574 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.datasets.data.organic_xyz' is absent from the `packages` configuration. 2023-10-08T17:13:10,574 !! 2023-10-08T17:13:10,575 ******************************************************************************** 2023-10-08T17:13:10,575 ############################ 2023-10-08T17:13:10,576 # Package would be ignored # 2023-10-08T17:13:10,576 ############################ 2023-10-08T17:13:10,576 Python recognizes 'chemml.datasets.data.organic_xyz' as an importable package[^1], 2023-10-08T17:13:10,577 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,578 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,578 package, please make sure that 'chemml.datasets.data.organic_xyz' is explicitly added 2023-10-08T17:13:10,579 to the `packages` configuration field. 2023-10-08T17:13:10,580 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,580 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,580 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,581 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,582 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,583 If you don't want 'chemml.datasets.data.organic_xyz' to be distributed and are 2023-10-08T17:13:10,584 already explicitly excluding 'chemml.datasets.data.organic_xyz' via 2023-10-08T17:13:10,584 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,585 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,585 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,586 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,587 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,588 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,589 even if it does not contain any `.py` files. 2023-10-08T17:13:10,589 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,590 directory, all directories are treated like packages. 2023-10-08T17:13:10,590 ******************************************************************************** 2023-10-08T17:13:10,591 !! 2023-10-08T17:13:10,592 check.warn(importable) 2023-10-08T17:13:10,592 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.datasets.data.test_files' is absent from the `packages` configuration. 2023-10-08T17:13:10,593 !! 2023-10-08T17:13:10,594 ******************************************************************************** 2023-10-08T17:13:10,594 ############################ 2023-10-08T17:13:10,595 # Package would be ignored # 2023-10-08T17:13:10,596 ############################ 2023-10-08T17:13:10,596 Python recognizes 'chemml.datasets.data.test_files' as an importable package[^1], 2023-10-08T17:13:10,597 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,598 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,599 package, please make sure that 'chemml.datasets.data.test_files' is explicitly added 2023-10-08T17:13:10,600 to the `packages` configuration field. 2023-10-08T17:13:10,601 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,601 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,602 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,603 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,604 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,605 If you don't want 'chemml.datasets.data.test_files' to be distributed and are 2023-10-08T17:13:10,605 already explicitly excluding 'chemml.datasets.data.test_files' via 2023-10-08T17:13:10,606 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,606 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,607 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,608 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,609 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,611 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,611 even if it does not contain any `.py` files. 2023-10-08T17:13:10,612 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,613 directory, all directories are treated like packages. 2023-10-08T17:13:10,613 ******************************************************************************** 2023-10-08T17:13:10,614 !! 2023-10-08T17:13:10,615 check.warn(importable) 2023-10-08T17:13:10,616 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.datasets.data.test_files.smiles' is absent from the `packages` configuration. 2023-10-08T17:13:10,616 !! 2023-10-08T17:13:10,617 ******************************************************************************** 2023-10-08T17:13:10,618 ############################ 2023-10-08T17:13:10,619 # Package would be ignored # 2023-10-08T17:13:10,619 ############################ 2023-10-08T17:13:10,620 Python recognizes 'chemml.datasets.data.test_files.smiles' as an importable package[^1], 2023-10-08T17:13:10,620 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,622 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,622 package, please make sure that 'chemml.datasets.data.test_files.smiles' is explicitly added 2023-10-08T17:13:10,623 to the `packages` configuration field. 2023-10-08T17:13:10,624 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,624 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,625 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,626 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,627 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,629 If you don't want 'chemml.datasets.data.test_files.smiles' to be distributed and are 2023-10-08T17:13:10,629 already explicitly excluding 'chemml.datasets.data.test_files.smiles' via 2023-10-08T17:13:10,630 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,630 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,631 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,633 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,634 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,635 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,636 even if it does not contain any `.py` files. 2023-10-08T17:13:10,636 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,637 directory, all directories are treated like packages. 2023-10-08T17:13:10,637 ******************************************************************************** 2023-10-08T17:13:10,638 !! 2023-10-08T17:13:10,639 check.warn(importable) 2023-10-08T17:13:10,639 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.published.RI.trained_models' is absent from the `packages` configuration. 2023-10-08T17:13:10,640 !! 2023-10-08T17:13:10,641 ******************************************************************************** 2023-10-08T17:13:10,641 ############################ 2023-10-08T17:13:10,642 # Package would be ignored # 2023-10-08T17:13:10,642 ############################ 2023-10-08T17:13:10,643 Python recognizes 'chemml.published.RI.trained_models' as an importable package[^1], 2023-10-08T17:13:10,643 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,644 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,645 package, please make sure that 'chemml.published.RI.trained_models' is explicitly added 2023-10-08T17:13:10,645 to the `packages` configuration field. 2023-10-08T17:13:10,646 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,647 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,648 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,649 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,650 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,651 If you don't want 'chemml.published.RI.trained_models' to be distributed and are 2023-10-08T17:13:10,652 already explicitly excluding 'chemml.published.RI.trained_models' via 2023-10-08T17:13:10,652 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,653 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,654 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,655 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,656 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,658 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,658 even if it does not contain any `.py` files. 2023-10-08T17:13:10,659 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,660 directory, all directories are treated like packages. 2023-10-08T17:13:10,660 ******************************************************************************** 2023-10-08T17:13:10,661 !! 2023-10-08T17:13:10,662 check.warn(importable) 2023-10-08T17:13:10,662 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'chemml.published.RI.trained_models.single' is absent from the `packages` configuration. 2023-10-08T17:13:10,663 !! 2023-10-08T17:13:10,664 ******************************************************************************** 2023-10-08T17:13:10,665 ############################ 2023-10-08T17:13:10,666 # Package would be ignored # 2023-10-08T17:13:10,666 ############################ 2023-10-08T17:13:10,667 Python recognizes 'chemml.published.RI.trained_models.single' as an importable package[^1], 2023-10-08T17:13:10,667 but it is absent from setuptools' `packages` configuration. 2023-10-08T17:13:10,668 This leads to an ambiguous overall configuration. If you want to distribute this 2023-10-08T17:13:10,669 package, please make sure that 'chemml.published.RI.trained_models.single' is explicitly added 2023-10-08T17:13:10,669 to the `packages` configuration field. 2023-10-08T17:13:10,670 Alternatively, you can also rely on setuptools' discovery methods 2023-10-08T17:13:10,671 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-10-08T17:13:10,671 instead of `find_packages(...)`/`find:`). 2023-10-08T17:13:10,672 You can read more about "package discovery" on setuptools documentation page: 2023-10-08T17:13:10,674 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-10-08T17:13:10,675 If you don't want 'chemml.published.RI.trained_models.single' to be distributed and are 2023-10-08T17:13:10,675 already explicitly excluding 'chemml.published.RI.trained_models.single' via 2023-10-08T17:13:10,676 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-10-08T17:13:10,676 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-10-08T17:13:10,677 combination with a more fine grained `package-data` configuration. 2023-10-08T17:13:10,678 You can read more about "package data files" on setuptools documentation page: 2023-10-08T17:13:10,679 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-10-08T17:13:10,680 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-10-08T17:13:10,681 even if it does not contain any `.py` files. 2023-10-08T17:13:10,682 On the other hand, currently there is no concept of package data 2023-10-08T17:13:10,682 directory, all directories are treated like packages. 2023-10-08T17:13:10,683 ******************************************************************************** 2023-10-08T17:13:10,684 !! 2023-10-08T17:13:10,685 check.warn(importable) 2023-10-08T17:13:10,685 creating build/lib/chemml/datasets/data 2023-10-08T17:13:10,686 copying chemml/datasets/data/cep_homo.csv -> build/lib/chemml/datasets/data 2023-10-08T17:13:10,687 copying chemml/datasets/data/moldescriptor_density_smiles.csv -> build/lib/chemml/datasets/data 2023-10-08T17:13:10,687 creating build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,688 copying chemml/datasets/data/magpie_python_test/1001-N1Y1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,688 copying chemml/datasets/data/magpie_python_test/1004-C1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,689 copying chemml/datasets/data/magpie_python_test/11375-C2N1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,689 copying chemml/datasets/data/magpie_python_test/12012-Ge2Ru2Tb1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,690 copying chemml/datasets/data/magpie_python_test/1214-Zr1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,691 copying chemml/datasets/data/magpie_python_test/1565-Sc1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,691 copying chemml/datasets/data/magpie_python_test/16234-O2Si1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,692 copying chemml/datasets/data/magpie_python_test/3315-Ge2Os2Th1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,693 copying chemml/datasets/data/magpie_python_test/3778-Sr1Zn2.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,693 copying chemml/datasets/data/magpie_python_test/393-Ta1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,694 copying chemml/datasets/data/magpie_python_test/399-Si1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,694 copying chemml/datasets/data/magpie_python_test/4746-Cd1Cu4Er1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,695 copying chemml/datasets/data/magpie_python_test/478-Li1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,695 copying chemml/datasets/data/magpie_python_test/592-Ho1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,696 copying chemml/datasets/data/magpie_python_test/673-B1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,696 copying chemml/datasets/data/magpie_python_test/7823-Hg2K1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,696 copying chemml/datasets/data/magpie_python_test/8379-Ag2Pr1Si2.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,697 copying chemml/datasets/data/magpie_python_test/846-C1.vasp -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,697 copying chemml/datasets/data/magpie_python_test/small_set_comp.txt -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,698 copying chemml/datasets/data/magpie_python_test/small_set_delta_e.txt -> build/lib/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:10,698 creating build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,699 copying chemml/datasets/data/organic_xyz/10_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,699 copying chemml/datasets/data/organic_xyz/11_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,700 copying chemml/datasets/data/organic_xyz/12_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,700 copying chemml/datasets/data/organic_xyz/13_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,701 copying chemml/datasets/data/organic_xyz/14_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,701 copying chemml/datasets/data/organic_xyz/15_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,702 copying chemml/datasets/data/organic_xyz/16_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,702 copying chemml/datasets/data/organic_xyz/17_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,703 copying chemml/datasets/data/organic_xyz/18_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,703 copying chemml/datasets/data/organic_xyz/19_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,704 copying chemml/datasets/data/organic_xyz/1_opt.mol2 -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,704 copying chemml/datasets/data/organic_xyz/1_opt.sdf -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,705 copying chemml/datasets/data/organic_xyz/1_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,705 copying chemml/datasets/data/organic_xyz/20_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,705 copying chemml/datasets/data/organic_xyz/21_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,706 copying chemml/datasets/data/organic_xyz/22_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,706 copying chemml/datasets/data/organic_xyz/23_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,707 copying chemml/datasets/data/organic_xyz/24_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,707 copying chemml/datasets/data/organic_xyz/25_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,708 copying chemml/datasets/data/organic_xyz/26_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,708 copying chemml/datasets/data/organic_xyz/27_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,709 copying chemml/datasets/data/organic_xyz/28_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,709 copying chemml/datasets/data/organic_xyz/29_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,710 copying chemml/datasets/data/organic_xyz/2_opt.sdf -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,710 copying chemml/datasets/data/organic_xyz/2_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,710 copying chemml/datasets/data/organic_xyz/30_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,711 copying chemml/datasets/data/organic_xyz/31_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,711 copying chemml/datasets/data/organic_xyz/32_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,712 copying chemml/datasets/data/organic_xyz/33_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,712 copying chemml/datasets/data/organic_xyz/34_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,712 copying chemml/datasets/data/organic_xyz/35_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,713 copying chemml/datasets/data/organic_xyz/36_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,713 copying chemml/datasets/data/organic_xyz/37_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,714 copying chemml/datasets/data/organic_xyz/38_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,714 copying chemml/datasets/data/organic_xyz/39_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,715 copying chemml/datasets/data/organic_xyz/3_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,715 copying chemml/datasets/data/organic_xyz/40_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,716 copying chemml/datasets/data/organic_xyz/41_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,717 copying chemml/datasets/data/organic_xyz/42_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,719 copying chemml/datasets/data/organic_xyz/43_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,721 copying chemml/datasets/data/organic_xyz/44_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,723 copying chemml/datasets/data/organic_xyz/45_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,725 copying chemml/datasets/data/organic_xyz/46_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,727 copying chemml/datasets/data/organic_xyz/47_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,729 copying chemml/datasets/data/organic_xyz/48_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,730 copying chemml/datasets/data/organic_xyz/49_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,733 copying chemml/datasets/data/organic_xyz/4_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,735 copying chemml/datasets/data/organic_xyz/50_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,737 copying chemml/datasets/data/organic_xyz/5_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,738 copying chemml/datasets/data/organic_xyz/6_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,740 copying chemml/datasets/data/organic_xyz/7_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,742 copying chemml/datasets/data/organic_xyz/8_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,744 copying chemml/datasets/data/organic_xyz/9_opt.xyz -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,746 copying chemml/datasets/data/organic_xyz/pol.csv -> build/lib/chemml/datasets/data/organic_xyz 2023-10-08T17:13:10,748 creating build/lib/chemml/datasets/data/test_files 2023-10-08T17:13:10,749 copying chemml/datasets/data/test_files/Dragon_script.drs -> build/lib/chemml/datasets/data/test_files 2023-10-08T17:13:10,752 copying chemml/datasets/data/test_files/Dragon_script_broken.drs -> build/lib/chemml/datasets/data/test_files 2023-10-08T17:13:10,754 copying chemml/datasets/data/test_files/smiles.smi -> build/lib/chemml/datasets/data/test_files 2023-10-08T17:13:10,756 copying chemml/datasets/data/test_files/test_missing_values.csv -> build/lib/chemml/datasets/data/test_files 2023-10-08T17:13:10,758 creating build/lib/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:10,759 copying chemml/datasets/data/test_files/smiles/mol_1.smi -> build/lib/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:10,761 copying chemml/datasets/data/test_files/smiles/mol_12.smi -> build/lib/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:10,763 copying chemml/datasets/data/test_files/smiles/mol_2.smi -> build/lib/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:10,765 creating build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,766 copying chemml/chem/magpie_python/lookup-data/Abbreviation.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,768 copying chemml/chem/magpie_python/lookup-data/AtomicVolume.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,770 copying chemml/chem/magpie_python/lookup-data/AtomicWeight.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,772 copying chemml/chem/magpie_python/lookup-data/BoilingT.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,774 copying chemml/chem/magpie_python/lookup-data/BoilingTemp.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,776 copying chemml/chem/magpie_python/lookup-data/BulkModulus.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,778 copying chemml/chem/magpie_python/lookup-data/Column.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,780 copying chemml/chem/magpie_python/lookup-data/CovalentRadius.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,782 copying chemml/chem/magpie_python/lookup-data/Density.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,784 copying chemml/chem/magpie_python/lookup-data/DipolePolarizability.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,786 copying chemml/chem/magpie_python/lookup-data/ElectronAffinity.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,789 copying chemml/chem/magpie_python/lookup-data/Electronegativity.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,791 copying chemml/chem/magpie_python/lookup-data/FirstIonizationEnergy.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,793 copying chemml/chem/magpie_python/lookup-data/FusionEnthalpy.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,795 copying chemml/chem/magpie_python/lookup-data/GSbandgap.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,797 copying chemml/chem/magpie_python/lookup-data/GSenergy_pa.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,799 copying chemml/chem/magpie_python/lookup-data/GSestBCClatcnt.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,801 copying chemml/chem/magpie_python/lookup-data/GSestFCClatcnt.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,803 copying chemml/chem/magpie_python/lookup-data/GSmagmom.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,805 copying chemml/chem/magpie_python/lookup-data/GSvolume_pa.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,807 copying chemml/chem/magpie_python/lookup-data/HHIp.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,809 copying chemml/chem/magpie_python/lookup-data/HHIr.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,811 copying chemml/chem/magpie_python/lookup-data/HeatCapacityMass.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,812 copying chemml/chem/magpie_python/lookup-data/HeatCapacityMolar.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,814 copying chemml/chem/magpie_python/lookup-data/HeatFusion.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,816 copying chemml/chem/magpie_python/lookup-data/ICSDVolume.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,818 copying chemml/chem/magpie_python/lookup-data/IonizationEnergies.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,820 copying chemml/chem/magpie_python/lookup-data/IsAlkali.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,822 copying chemml/chem/magpie_python/lookup-data/IsDBlock.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,824 copying chemml/chem/magpie_python/lookup-data/IsFBlock.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,825 copying chemml/chem/magpie_python/lookup-data/IsMetal.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,827 copying chemml/chem/magpie_python/lookup-data/IsMetalloid.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,829 copying chemml/chem/magpie_python/lookup-data/IsNonmetal.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,831 copying chemml/chem/magpie_python/lookup-data/MeltingT.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,833 copying chemml/chem/magpie_python/lookup-data/MendeleevNumber.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,835 copying chemml/chem/magpie_python/lookup-data/MiracleRadius.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,837 copying chemml/chem/magpie_python/lookup-data/NUnfilled.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,839 copying chemml/chem/magpie_python/lookup-data/NValance.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,841 copying chemml/chem/magpie_python/lookup-data/NdUnfilled.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,843 copying chemml/chem/magpie_python/lookup-data/NdValence.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,845 copying chemml/chem/magpie_python/lookup-data/NfUnfilled.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,846 copying chemml/chem/magpie_python/lookup-data/NfValence.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,848 copying chemml/chem/magpie_python/lookup-data/NpUnfilled.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,850 copying chemml/chem/magpie_python/lookup-data/NpValence.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,852 copying chemml/chem/magpie_python/lookup-data/NsUnfilled.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,854 copying chemml/chem/magpie_python/lookup-data/NsValence.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,856 copying chemml/chem/magpie_python/lookup-data/Number.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,858 copying chemml/chem/magpie_python/lookup-data/OxidationStates.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,860 copying chemml/chem/magpie_python/lookup-data/Polarizability.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,861 copying chemml/chem/magpie_python/lookup-data/README.txt -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,864 copying chemml/chem/magpie_python/lookup-data/Row.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,865 copying chemml/chem/magpie_python/lookup-data/ShearModulus.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,867 copying chemml/chem/magpie_python/lookup-data/SpaceGroupNumber.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,869 copying chemml/chem/magpie_python/lookup-data/ZungerPP-r_d.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,871 copying chemml/chem/magpie_python/lookup-data/ZungerPP-r_p.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,873 copying chemml/chem/magpie_python/lookup-data/ZungerPP-r_pi.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,874 copying chemml/chem/magpie_python/lookup-data/ZungerPP-r_s.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,876 copying chemml/chem/magpie_python/lookup-data/ZungerPP-r_sigma.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,878 copying chemml/chem/magpie_python/lookup-data/n_ws^third.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,880 copying chemml/chem/magpie_python/lookup-data/phi.table -> build/lib/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:10,882 creating build/lib/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:10,883 copying chemml/chem/magpie_python/lookup-data/pair/B2BondLength.table -> build/lib/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:10,887 copying chemml/chem/magpie_python/lookup-data/pair/B2Volume.table -> build/lib/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:10,890 copying chemml/chem/magpie_python/lookup-data/pair/MiedemaLiquidDeltaHf.table -> build/lib/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:10,892 copying chemml/chem/magpie_python/lookup-data/pair/README.txt -> build/lib/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:10,894 copying chemml/published/RI/README.md -> build/lib/chemml/published/RI 2023-10-08T17:13:10,896 creating build/lib/chemml/published/RI/trained_models 2023-10-08T17:13:10,897 copying chemml/published/RI/trained_models/lorentz_lorenz.h5 -> build/lib/chemml/published/RI/trained_models 2023-10-08T17:13:11,142 creating build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,143 copying chemml/published/RI/trained_models/single/dragon_number_density.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,198 copying chemml/published/RI/trained_models/single/dragon_number_density_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,200 copying chemml/published/RI/trained_models/single/dragon_polarizability.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,227 copying chemml/published/RI/trained_models/single/dragon_polarizability_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,229 copying chemml/published/RI/trained_models/single/dragon_refractive_index.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,258 copying chemml/published/RI/trained_models/single/dragon_refractive_index_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,260 copying chemml/published/RI/trained_models/single/hap_number_density.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,322 copying chemml/published/RI/trained_models/single/hap_number_density_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,325 copying chemml/published/RI/trained_models/single/hap_polarizability.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,376 copying chemml/published/RI/trained_models/single/hap_polarizability_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,378 copying chemml/published/RI/trained_models/single/hap_refractive_index.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,457 copying chemml/published/RI/trained_models/single/hap_refractive_index_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,459 copying chemml/published/RI/trained_models/single/htt_number_density.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,522 copying chemml/published/RI/trained_models/single/htt_number_density_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,524 copying chemml/published/RI/trained_models/single/htt_polarizability.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,598 copying chemml/published/RI/trained_models/single/htt_polarizability_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,600 copying chemml/published/RI/trained_models/single/htt_refractive_index.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,626 copying chemml/published/RI/trained_models/single/htt_refractive_index_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,628 copying chemml/published/RI/trained_models/single/morgan_number_density.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,693 copying chemml/published/RI/trained_models/single/morgan_number_density_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,695 copying chemml/published/RI/trained_models/single/morgan_polarizability.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,754 copying chemml/published/RI/trained_models/single/morgan_polarizability_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,756 copying chemml/published/RI/trained_models/single/morgan_refractive_index.h5 -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,786 copying chemml/published/RI/trained_models/single/morgan_refractive_index_chemml_model.csv -> build/lib/chemml/published/RI/trained_models/single 2023-10-08T17:13:11,788 copying chemml/published/RI/input_files/properties.csv -> build/lib/chemml/published/RI/input_files 2023-10-08T17:13:11,992 copying chemml/published/RI/input_files/properties_10k.csv -> build/lib/chemml/published/RI/input_files 2023-10-08T17:13:12,056 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2023-10-08T17:13:12,056 !! 2023-10-08T17:13:12,058 ******************************************************************************** 2023-10-08T17:13:12,058 Please avoid running ``setup.py`` directly. 2023-10-08T17:13:12,059 Instead, use pypa/build, pypa/installer or other 2023-10-08T17:13:12,059 standards-based tools. 2023-10-08T17:13:12,060 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2023-10-08T17:13:12,061 ******************************************************************************** 2023-10-08T17:13:12,062 !! 2023-10-08T17:13:12,063 self.initialize_options() 2023-10-08T17:13:12,082 installing to build/bdist.linux-armv7l/wheel 2023-10-08T17:13:12,083 running install 2023-10-08T17:13:12,106 running install_lib 2023-10-08T17:13:12,130 creating build/bdist.linux-armv7l 2023-10-08T17:13:12,131 creating build/bdist.linux-armv7l/wheel 2023-10-08T17:13:12,132 creating build/bdist.linux-armv7l/wheel/chemml 2023-10-08T17:13:12,134 creating build/bdist.linux-armv7l/wheel/chemml/explain 2023-10-08T17:13:12,135 copying build/lib/chemml/explain/visualize.py -> build/bdist.linux-armv7l/wheel/chemml/explain 2023-10-08T17:13:12,138 copying build/lib/chemml/explain/explain.py -> build/bdist.linux-armv7l/wheel/chemml/explain 2023-10-08T17:13:12,140 copying build/lib/chemml/explain/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/explain 2023-10-08T17:13:12,142 creating build/bdist.linux-armv7l/wheel/chemml/initialization 2023-10-08T17:13:12,143 copying build/lib/chemml/initialization/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/initialization 2023-10-08T17:13:12,145 copying build/lib/chemml/initialization/initialization.py -> build/bdist.linux-armv7l/wheel/chemml/initialization 2023-10-08T17:13:12,148 creating build/bdist.linux-armv7l/wheel/chemml/optimization 2023-10-08T17:13:12,149 copying build/lib/chemml/optimization/active.py -> build/bdist.linux-armv7l/wheel/chemml/optimization 2023-10-08T17:13:12,152 copying build/lib/chemml/optimization/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/optimization 2023-10-08T17:13:12,154 copying build/lib/chemml/optimization/genetic_algorithm.py -> build/bdist.linux-armv7l/wheel/chemml/optimization 2023-10-08T17:13:12,157 creating build/bdist.linux-armv7l/wheel/chemml/wrapper 2023-10-08T17:13:12,158 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/metadata 2023-10-08T17:13:12,159 copying build/lib/chemml/wrapper/metadata/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/metadata 2023-10-08T17:13:12,161 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/chemml_cml 2023-10-08T17:13:12,162 copying build/lib/chemml/wrapper/chemml_cml/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/chemml_cml 2023-10-08T17:13:12,164 copying build/lib/chemml/wrapper/chemml_cml/chemml_wrapper.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/chemml_cml 2023-10-08T17:13:12,169 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/notebook 2023-10-08T17:13:12,170 copying build/lib/chemml/wrapper/notebook/main.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/notebook 2023-10-08T17:13:12,174 copying build/lib/chemml/wrapper/notebook/templates.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/notebook 2023-10-08T17:13:12,177 copying build/lib/chemml/wrapper/notebook/tutorials.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/notebook 2023-10-08T17:13:12,179 copying build/lib/chemml/wrapper/notebook/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/notebook 2023-10-08T17:13:12,181 copying build/lib/chemml/wrapper/notebook/TSHF.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/notebook 2023-10-08T17:13:12,183 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,184 copying build/lib/chemml/wrapper/sklearn_skl/KernelRidge_wrapper.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,186 copying build/lib/chemml/wrapper/sklearn_skl/scorer_regression.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,188 copying build/lib/chemml/wrapper/sklearn_skl/LeaveOneOut.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,190 copying build/lib/chemml/wrapper/sklearn_skl/syntax.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,192 copying build/lib/chemml/wrapper/sklearn_skl/KFold_wrapper.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,195 copying build/lib/chemml/wrapper/sklearn_skl/train_test_split_wrapper.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,196 copying build/lib/chemml/wrapper/sklearn_skl/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,198 copying build/lib/chemml/wrapper/sklearn_skl/sklearn_wrapper.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/sklearn_skl 2023-10-08T17:13:12,200 copying build/lib/chemml/wrapper/base.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper 2023-10-08T17:13:12,204 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/preprocessing 2023-10-08T17:13:12,205 copying build/lib/chemml/wrapper/preprocessing/miscellaneous.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/preprocessing 2023-10-08T17:13:12,207 copying build/lib/chemml/wrapper/preprocessing/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/preprocessing 2023-10-08T17:13:12,209 copying build/lib/chemml/wrapper/interfaces.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper 2023-10-08T17:13:12,211 copying build/lib/chemml/wrapper/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper 2023-10-08T17:13:12,213 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/database 2023-10-08T17:13:12,214 copying build/lib/chemml/wrapper/database/sklearn_db.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/database 2023-10-08T17:13:12,217 copying build/lib/chemml/wrapper/database/pandas_db.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/database 2023-10-08T17:13:12,219 copying build/lib/chemml/wrapper/database/containers.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/database 2023-10-08T17:13:12,221 copying build/lib/chemml/wrapper/database/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/database 2023-10-08T17:13:12,223 copying build/lib/chemml/wrapper/database/chemml_db.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/database 2023-10-08T17:13:12,226 copying build/lib/chemml/wrapper/engine.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper 2023-10-08T17:13:12,229 creating build/bdist.linux-armv7l/wheel/chemml/wrapper/pandas_pd 2023-10-08T17:13:12,230 copying build/lib/chemml/wrapper/pandas_pd/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/pandas_pd 2023-10-08T17:13:12,232 copying build/lib/chemml/wrapper/pandas_pd/pandas_wrapper.py -> build/bdist.linux-armv7l/wheel/chemml/wrapper/pandas_pd 2023-10-08T17:13:12,234 creating build/bdist.linux-armv7l/wheel/chemml/utils 2023-10-08T17:13:12,235 copying build/lib/chemml/utils/utilities.py -> build/bdist.linux-armv7l/wheel/chemml/utils 2023-10-08T17:13:12,238 copying build/lib/chemml/utils/validation.py -> build/bdist.linux-armv7l/wheel/chemml/utils 2023-10-08T17:13:12,240 copying build/lib/chemml/utils/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/utils 2023-10-08T17:13:12,242 creating build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,243 copying build/lib/chemml/chem/RDKFP.py -> build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,246 copying build/lib/chemml/chem/local_features.py -> build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,248 copying build/lib/chemml/chem/CoulMat.py -> build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,251 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python 2023-10-08T17:13:12,252 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal 2023-10-08T17:13:12,254 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:12,255 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,256 copying build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiVertex.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,258 copying build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiTessellationCalculator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,260 copying build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiCell.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,263 copying build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiEdge.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,265 copying build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,267 copying build/lib/chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiFace.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis/voronoi 2023-10-08T17:13:12,269 copying build/lib/chemml/chem/magpie_python/vassal/analysis/PairDistanceAnalysis.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:12,272 copying build/lib/chemml/chem/magpie_python/vassal/analysis/APRDFAnalysis.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:12,274 copying build/lib/chemml/chem/magpie_python/vassal/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:12,275 copying build/lib/chemml/chem/magpie_python/vassal/analysis/VoronoiCellBasedAnalysis.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/analysis 2023-10-08T17:13:12,278 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/util 2023-10-08T17:13:12,279 copying build/lib/chemml/chem/magpie_python/vassal/util/VectorCombinationComputer.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/util 2023-10-08T17:13:12,281 copying build/lib/chemml/chem/magpie_python/vassal/util/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/util 2023-10-08T17:13:12,283 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:12,284 copying build/lib/chemml/chem/magpie_python/vassal/data/AtomImage.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:12,286 copying build/lib/chemml/chem/magpie_python/vassal/data/Atom.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:12,288 copying build/lib/chemml/chem/magpie_python/vassal/data/Cell.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:12,291 copying build/lib/chemml/chem/magpie_python/vassal/data/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/data 2023-10-08T17:13:12,292 copying build/lib/chemml/chem/magpie_python/vassal/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal 2023-10-08T17:13:12,294 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:12,295 copying build/lib/chemml/chem/magpie_python/vassal/geometry/Line.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:12,297 copying build/lib/chemml/chem/magpie_python/vassal/geometry/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:12,299 copying build/lib/chemml/chem/magpie_python/vassal/geometry/Plane.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/geometry 2023-10-08T17:13:12,302 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/io 2023-10-08T17:13:12,303 copying build/lib/chemml/chem/magpie_python/vassal/io/VASP5IO.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/io 2023-10-08T17:13:12,305 copying build/lib/chemml/chem/magpie_python/vassal/io/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/vassal/io 2023-10-08T17:13:12,307 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data 2023-10-08T17:13:12,308 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:12,309 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:12,310 copying build/lib/chemml/chem/magpie_python/data/materials/util/GCLPCalculator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:12,313 copying build/lib/chemml/chem/magpie_python/data/materials/util/LookUpData.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:12,315 copying build/lib/chemml/chem/magpie_python/data/materials/util/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials/util 2023-10-08T17:13:12,317 copying build/lib/chemml/chem/magpie_python/data/materials/CompositionEntry.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:12,319 copying build/lib/chemml/chem/magpie_python/data/materials/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:12,321 copying build/lib/chemml/chem/magpie_python/data/materials/CrystalStructureEntry.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/materials 2023-10-08T17:13:12,323 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities 2023-10-08T17:13:12,324 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities/filters 2023-10-08T17:13:12,325 copying build/lib/chemml/chem/magpie_python/data/utilities/filters/CompositionDistanceFilter.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities/filters 2023-10-08T17:13:12,327 copying build/lib/chemml/chem/magpie_python/data/utilities/filters/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities/filters 2023-10-08T17:13:12,329 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities/generators 2023-10-08T17:13:12,330 copying build/lib/chemml/chem/magpie_python/data/utilities/generators/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities/generators 2023-10-08T17:13:12,331 copying build/lib/chemml/chem/magpie_python/data/utilities/generators/PhaseDiagramCompositionEntryGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities/generators 2023-10-08T17:13:12,334 copying build/lib/chemml/chem/magpie_python/data/utilities/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data/utilities 2023-10-08T17:13:12,335 copying build/lib/chemml/chem/magpie_python/data/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/data 2023-10-08T17:13:12,338 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,339 copying build/lib/chemml/chem/magpie_python/lookup-data/MeltingT.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,341 copying build/lib/chemml/chem/magpie_python/lookup-data/ZungerPP-r_p.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,343 copying build/lib/chemml/chem/magpie_python/lookup-data/Column.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,344 copying build/lib/chemml/chem/magpie_python/lookup-data/AtomicWeight.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,346 copying build/lib/chemml/chem/magpie_python/lookup-data/OxidationStates.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,348 copying build/lib/chemml/chem/magpie_python/lookup-data/DipolePolarizability.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,349 copying build/lib/chemml/chem/magpie_python/lookup-data/BoilingT.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,351 copying build/lib/chemml/chem/magpie_python/lookup-data/NdValence.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,353 copying build/lib/chemml/chem/magpie_python/lookup-data/GSbandgap.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,354 copying build/lib/chemml/chem/magpie_python/lookup-data/NdUnfilled.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,356 copying build/lib/chemml/chem/magpie_python/lookup-data/Density.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,358 copying build/lib/chemml/chem/magpie_python/lookup-data/IsMetalloid.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,360 copying build/lib/chemml/chem/magpie_python/lookup-data/Electronegativity.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,361 copying build/lib/chemml/chem/magpie_python/lookup-data/HHIr.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,363 copying build/lib/chemml/chem/magpie_python/lookup-data/Row.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,364 copying build/lib/chemml/chem/magpie_python/lookup-data/ICSDVolume.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,366 copying build/lib/chemml/chem/magpie_python/lookup-data/IsNonmetal.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,368 copying build/lib/chemml/chem/magpie_python/lookup-data/NValance.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,369 copying build/lib/chemml/chem/magpie_python/lookup-data/SpaceGroupNumber.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,371 copying build/lib/chemml/chem/magpie_python/lookup-data/MendeleevNumber.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,373 copying build/lib/chemml/chem/magpie_python/lookup-data/GSmagmom.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,375 copying build/lib/chemml/chem/magpie_python/lookup-data/IonizationEnergies.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,376 copying build/lib/chemml/chem/magpie_python/lookup-data/HeatCapacityMass.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,378 copying build/lib/chemml/chem/magpie_python/lookup-data/GSestBCClatcnt.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,380 copying build/lib/chemml/chem/magpie_python/lookup-data/AtomicVolume.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,382 copying build/lib/chemml/chem/magpie_python/lookup-data/BoilingTemp.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,383 copying build/lib/chemml/chem/magpie_python/lookup-data/NpValence.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,385 copying build/lib/chemml/chem/magpie_python/lookup-data/Abbreviation.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,387 copying build/lib/chemml/chem/magpie_python/lookup-data/HHIp.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,388 copying build/lib/chemml/chem/magpie_python/lookup-data/n_ws^third.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,390 copying build/lib/chemml/chem/magpie_python/lookup-data/BulkModulus.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,392 copying build/lib/chemml/chem/magpie_python/lookup-data/README.txt -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,394 copying build/lib/chemml/chem/magpie_python/lookup-data/CovalentRadius.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,396 copying build/lib/chemml/chem/magpie_python/lookup-data/HeatFusion.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,397 copying build/lib/chemml/chem/magpie_python/lookup-data/IsFBlock.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,399 copying build/lib/chemml/chem/magpie_python/lookup-data/NsUnfilled.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,400 copying build/lib/chemml/chem/magpie_python/lookup-data/GSenergy_pa.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,402 copying build/lib/chemml/chem/magpie_python/lookup-data/ZungerPP-r_d.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,404 copying build/lib/chemml/chem/magpie_python/lookup-data/NpUnfilled.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,406 copying build/lib/chemml/chem/magpie_python/lookup-data/Number.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,407 copying build/lib/chemml/chem/magpie_python/lookup-data/MiracleRadius.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,409 copying build/lib/chemml/chem/magpie_python/lookup-data/ZungerPP-r_pi.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,410 copying build/lib/chemml/chem/magpie_python/lookup-data/FusionEnthalpy.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,412 copying build/lib/chemml/chem/magpie_python/lookup-data/IsAlkali.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,414 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:12,415 copying build/lib/chemml/chem/magpie_python/lookup-data/pair/README.txt -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:12,417 copying build/lib/chemml/chem/magpie_python/lookup-data/pair/MiedemaLiquidDeltaHf.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:12,419 copying build/lib/chemml/chem/magpie_python/lookup-data/pair/B2BondLength.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:12,422 copying build/lib/chemml/chem/magpie_python/lookup-data/pair/B2Volume.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data/pair 2023-10-08T17:13:12,425 copying build/lib/chemml/chem/magpie_python/lookup-data/NfUnfilled.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,427 copying build/lib/chemml/chem/magpie_python/lookup-data/IsDBlock.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,428 copying build/lib/chemml/chem/magpie_python/lookup-data/NUnfilled.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,430 copying build/lib/chemml/chem/magpie_python/lookup-data/NsValence.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,432 copying build/lib/chemml/chem/magpie_python/lookup-data/FirstIonizationEnergy.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,434 copying build/lib/chemml/chem/magpie_python/lookup-data/NfValence.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,435 copying build/lib/chemml/chem/magpie_python/lookup-data/IsMetal.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,437 copying build/lib/chemml/chem/magpie_python/lookup-data/ZungerPP-r_sigma.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,439 copying build/lib/chemml/chem/magpie_python/lookup-data/phi.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,441 copying build/lib/chemml/chem/magpie_python/lookup-data/Polarizability.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,443 copying build/lib/chemml/chem/magpie_python/lookup-data/GSestFCClatcnt.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,444 copying build/lib/chemml/chem/magpie_python/lookup-data/HeatCapacityMolar.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,446 copying build/lib/chemml/chem/magpie_python/lookup-data/ShearModulus.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,447 copying build/lib/chemml/chem/magpie_python/lookup-data/ElectronAffinity.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,449 copying build/lib/chemml/chem/magpie_python/lookup-data/GSvolume_pa.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,451 copying build/lib/chemml/chem/magpie_python/lookup-data/ZungerPP-r_s.table -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/lookup-data 2023-10-08T17:13:12,452 copying build/lib/chemml/chem/magpie_python/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python 2023-10-08T17:13:12,455 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models 2023-10-08T17:13:12,456 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models/regression 2023-10-08T17:13:12,458 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:12,459 copying build/lib/chemml/chem/magpie_python/models/regression/crystal/CoulombSineMatrixRegression.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:12,461 copying build/lib/chemml/chem/magpie_python/models/regression/crystal/PRDFRegression.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:12,463 copying build/lib/chemml/chem/magpie_python/models/regression/crystal/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models/regression/crystal 2023-10-08T17:13:12,464 copying build/lib/chemml/chem/magpie_python/models/regression/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models/regression 2023-10-08T17:13:12,466 copying build/lib/chemml/chem/magpie_python/models/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/models 2023-10-08T17:13:12,468 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility 2023-10-08T17:13:12,469 copying build/lib/chemml/chem/magpie_python/utility/EqualSumCombinations.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility 2023-10-08T17:13:12,471 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:12,472 copying build/lib/chemml/chem/magpie_python/utility/tools/IonicCompoundFinder.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:12,474 copying build/lib/chemml/chem/magpie_python/utility/tools/OxidationStateGuesser.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:12,476 copying build/lib/chemml/chem/magpie_python/utility/tools/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility/tools 2023-10-08T17:13:12,478 copying build/lib/chemml/chem/magpie_python/utility/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/utility 2023-10-08T17:13:12,480 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes 2023-10-08T17:13:12,481 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators 2023-10-08T17:13:12,483 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,484 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/ElementPairPropertyAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,486 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/ElementFractionAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,488 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/ChargeDependentAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,490 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/ElementalPropertyAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,492 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/APEAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,495 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/YangOmegaAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,497 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/StoichiometricAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,499 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/GCLPAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,501 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/IonicityAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,503 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/MeredigAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,506 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,507 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/IonicCompoundProximityAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,509 copying build/lib/chemml/chem/magpie_python/attributes/generators/composition/ValenceShellAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/composition 2023-10-08T17:13:12,511 creating build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,512 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/EffectiveCoordinationNumberAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,515 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/StructuralHeterogeneityAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,517 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/CoulombMatrixAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,519 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/LocalPropertyDifferenceAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,521 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/PackingEfficiencyAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,523 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/CoordinationNumberAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,525 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/LatticeSimilarityAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,527 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/PRDFAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,529 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/ChemicalOrderingAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,531 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,533 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/LocalPropertyVarianceAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,535 copying build/lib/chemml/chem/magpie_python/attributes/generators/crystal/APRDFAttributeGenerator.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators/crystal 2023-10-08T17:13:12,537 copying build/lib/chemml/chem/magpie_python/attributes/generators/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes/generators 2023-10-08T17:13:12,538 copying build/lib/chemml/chem/magpie_python/attributes/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem/magpie_python/attributes 2023-10-08T17:13:12,540 copying build/lib/chemml/chem/Dragon.py -> build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,542 copying build/lib/chemml/chem/molecule.py -> build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,545 copying build/lib/chemml/chem/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/chem 2023-10-08T17:13:12,547 creating build/bdist.linux-armv7l/wheel/chemml/datasets 2023-10-08T17:13:12,548 creating build/bdist.linux-armv7l/wheel/chemml/datasets/data 2023-10-08T17:13:12,549 copying build/lib/chemml/datasets/data/moldescriptor_density_smiles.csv -> build/bdist.linux-armv7l/wheel/chemml/datasets/data 2023-10-08T17:13:12,561 creating build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files 2023-10-08T17:13:12,562 copying build/lib/chemml/datasets/data/test_files/smiles.smi -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files 2023-10-08T17:13:12,564 creating build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:12,565 copying build/lib/chemml/datasets/data/test_files/smiles/mol_1.smi -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:12,567 copying build/lib/chemml/datasets/data/test_files/smiles/mol_12.smi -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:12,568 copying build/lib/chemml/datasets/data/test_files/smiles/mol_2.smi -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files/smiles 2023-10-08T17:13:12,570 copying build/lib/chemml/datasets/data/test_files/test_missing_values.csv -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files 2023-10-08T17:13:12,573 copying build/lib/chemml/datasets/data/test_files/Dragon_script_broken.drs -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files 2023-10-08T17:13:12,575 copying build/lib/chemml/datasets/data/test_files/Dragon_script.drs -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/test_files 2023-10-08T17:13:12,578 creating build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,579 copying build/lib/chemml/datasets/data/organic_xyz/8_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,581 copying build/lib/chemml/datasets/data/organic_xyz/44_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,583 copying build/lib/chemml/datasets/data/organic_xyz/20_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,584 copying build/lib/chemml/datasets/data/organic_xyz/6_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,586 copying build/lib/chemml/datasets/data/organic_xyz/1_opt.sdf -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,588 copying build/lib/chemml/datasets/data/organic_xyz/50_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,589 copying build/lib/chemml/datasets/data/organic_xyz/1_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,591 copying build/lib/chemml/datasets/data/organic_xyz/26_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,593 copying build/lib/chemml/datasets/data/organic_xyz/15_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,594 copying build/lib/chemml/datasets/data/organic_xyz/10_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,596 copying build/lib/chemml/datasets/data/organic_xyz/45_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,598 copying build/lib/chemml/datasets/data/organic_xyz/9_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,599 copying build/lib/chemml/datasets/data/organic_xyz/pol.csv -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,601 copying build/lib/chemml/datasets/data/organic_xyz/5_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,603 copying build/lib/chemml/datasets/data/organic_xyz/23_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,605 copying build/lib/chemml/datasets/data/organic_xyz/30_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,606 copying build/lib/chemml/datasets/data/organic_xyz/2_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,608 copying build/lib/chemml/datasets/data/organic_xyz/22_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,610 copying build/lib/chemml/datasets/data/organic_xyz/19_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,611 copying build/lib/chemml/datasets/data/organic_xyz/38_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,613 copying build/lib/chemml/datasets/data/organic_xyz/46_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,615 copying build/lib/chemml/datasets/data/organic_xyz/34_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,617 copying build/lib/chemml/datasets/data/organic_xyz/40_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,618 copying build/lib/chemml/datasets/data/organic_xyz/16_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,620 copying build/lib/chemml/datasets/data/organic_xyz/27_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,622 copying build/lib/chemml/datasets/data/organic_xyz/47_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,623 copying build/lib/chemml/datasets/data/organic_xyz/14_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,625 copying build/lib/chemml/datasets/data/organic_xyz/28_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,627 copying build/lib/chemml/datasets/data/organic_xyz/49_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,629 copying build/lib/chemml/datasets/data/organic_xyz/12_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,630 copying build/lib/chemml/datasets/data/organic_xyz/13_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,632 copying build/lib/chemml/datasets/data/organic_xyz/42_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,634 copying build/lib/chemml/datasets/data/organic_xyz/3_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,636 copying build/lib/chemml/datasets/data/organic_xyz/33_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,637 copying build/lib/chemml/datasets/data/organic_xyz/24_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,639 copying build/lib/chemml/datasets/data/organic_xyz/29_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,641 copying build/lib/chemml/datasets/data/organic_xyz/39_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,642 copying build/lib/chemml/datasets/data/organic_xyz/32_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,644 copying build/lib/chemml/datasets/data/organic_xyz/21_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,646 copying build/lib/chemml/datasets/data/organic_xyz/2_opt.sdf -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,648 copying build/lib/chemml/datasets/data/organic_xyz/4_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,649 copying build/lib/chemml/datasets/data/organic_xyz/25_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,651 copying build/lib/chemml/datasets/data/organic_xyz/43_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,653 copying build/lib/chemml/datasets/data/organic_xyz/17_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,655 copying build/lib/chemml/datasets/data/organic_xyz/7_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,657 copying build/lib/chemml/datasets/data/organic_xyz/18_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,659 copying build/lib/chemml/datasets/data/organic_xyz/41_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,661 copying build/lib/chemml/datasets/data/organic_xyz/35_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,663 copying build/lib/chemml/datasets/data/organic_xyz/37_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,665 copying build/lib/chemml/datasets/data/organic_xyz/36_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,667 copying build/lib/chemml/datasets/data/organic_xyz/11_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,669 copying build/lib/chemml/datasets/data/organic_xyz/48_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,671 copying build/lib/chemml/datasets/data/organic_xyz/1_opt.mol2 -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,673 copying build/lib/chemml/datasets/data/organic_xyz/31_opt.xyz -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/organic_xyz 2023-10-08T17:13:12,675 copying build/lib/chemml/datasets/data/cep_homo.csv -> build/bdist.linux-armv7l/wheel/chemml/datasets/data 2023-10-08T17:13:12,678 creating build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,679 copying build/lib/chemml/datasets/data/magpie_python_test/16234-O2Si1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,681 copying build/lib/chemml/datasets/data/magpie_python_test/3315-Ge2Os2Th1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,683 copying build/lib/chemml/datasets/data/magpie_python_test/673-B1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,685 copying build/lib/chemml/datasets/data/magpie_python_test/1214-Zr1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,687 copying build/lib/chemml/datasets/data/magpie_python_test/592-Ho1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,689 copying build/lib/chemml/datasets/data/magpie_python_test/4746-Cd1Cu4Er1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,691 copying build/lib/chemml/datasets/data/magpie_python_test/1004-C1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,692 copying build/lib/chemml/datasets/data/magpie_python_test/1565-Sc1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,694 copying build/lib/chemml/datasets/data/magpie_python_test/11375-C2N1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,697 copying build/lib/chemml/datasets/data/magpie_python_test/8379-Ag2Pr1Si2.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,698 copying build/lib/chemml/datasets/data/magpie_python_test/3778-Sr1Zn2.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,700 copying build/lib/chemml/datasets/data/magpie_python_test/846-C1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,702 copying build/lib/chemml/datasets/data/magpie_python_test/399-Si1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,704 copying build/lib/chemml/datasets/data/magpie_python_test/1001-N1Y1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,706 copying build/lib/chemml/datasets/data/magpie_python_test/12012-Ge2Ru2Tb1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,708 copying build/lib/chemml/datasets/data/magpie_python_test/small_set_delta_e.txt -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,711 copying build/lib/chemml/datasets/data/magpie_python_test/7823-Hg2K1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,713 copying build/lib/chemml/datasets/data/magpie_python_test/393-Ta1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,715 copying build/lib/chemml/datasets/data/magpie_python_test/small_set_comp.txt -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,718 copying build/lib/chemml/datasets/data/magpie_python_test/478-Li1.vasp -> build/bdist.linux-armv7l/wheel/chemml/datasets/data/magpie_python_test 2023-10-08T17:13:12,720 copying build/lib/chemml/datasets/base.py -> build/bdist.linux-armv7l/wheel/chemml/datasets 2023-10-08T17:13:12,722 copying build/lib/chemml/datasets/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/datasets 2023-10-08T17:13:12,724 creating build/bdist.linux-armv7l/wheel/chemml/visualization 2023-10-08T17:13:12,725 copying build/lib/chemml/visualization/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/visualization 2023-10-08T17:13:12,727 copying build/lib/chemml/visualization/visualization.py -> build/bdist.linux-armv7l/wheel/chemml/visualization 2023-10-08T17:13:12,730 creating build/bdist.linux-armv7l/wheel/chemml/preprocessing 2023-10-08T17:13:12,730 copying build/lib/chemml/preprocessing/handle_missing.py -> build/bdist.linux-armv7l/wheel/chemml/preprocessing 2023-10-08T17:13:12,733 copying build/lib/chemml/preprocessing/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/preprocessing 2023-10-08T17:13:12,734 copying build/lib/chemml/__init__.py -> build/bdist.linux-armv7l/wheel/chemml 2023-10-08T17:13:12,736 creating build/bdist.linux-armv7l/wheel/chemml/models 2023-10-08T17:13:12,737 copying build/lib/chemml/models/graphconvlayers.py -> build/bdist.linux-armv7l/wheel/chemml/models 2023-10-08T17:13:12,739 copying build/lib/chemml/models/transfer.py -> build/bdist.linux-armv7l/wheel/chemml/models 2023-10-08T17:13:12,742 copying build/lib/chemml/models/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/models 2023-10-08T17:13:12,743 copying build/lib/chemml/models/mlp.py -> build/bdist.linux-armv7l/wheel/chemml/models 2023-10-08T17:13:12,746 creating build/bdist.linux-armv7l/wheel/chemml/autoML 2023-10-08T17:13:12,747 copying build/lib/chemml/autoML/models_dict.py -> build/bdist.linux-armv7l/wheel/chemml/autoML 2023-10-08T17:13:12,749 copying build/lib/chemml/autoML/model_screener.py -> build/bdist.linux-armv7l/wheel/chemml/autoML 2023-10-08T17:13:12,752 copying build/lib/chemml/autoML/space.py -> build/bdist.linux-armv7l/wheel/chemml/autoML 2023-10-08T17:13:12,754 copying build/lib/chemml/autoML/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/autoML 2023-10-08T17:13:12,756 creating build/bdist.linux-armv7l/wheel/chemml/published 2023-10-08T17:13:12,756 copying build/lib/chemml/published/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/published 2023-10-08T17:13:12,759 creating build/bdist.linux-armv7l/wheel/chemml/published/RI 2023-10-08T17:13:12,760 creating build/bdist.linux-armv7l/wheel/chemml/published/RI/input_files 2023-10-08T17:13:12,761 copying build/lib/chemml/published/RI/input_files/properties.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/input_files 2023-10-08T17:13:12,953 copying build/lib/chemml/published/RI/input_files/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/published/RI/input_files 2023-10-08T17:13:12,955 copying build/lib/chemml/published/RI/input_files/load.py -> build/bdist.linux-armv7l/wheel/chemml/published/RI/input_files 2023-10-08T17:13:12,958 copying build/lib/chemml/published/RI/input_files/properties_10k.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/input_files 2023-10-08T17:13:12,983 copying build/lib/chemml/published/RI/lorentz_lorenz.py -> build/bdist.linux-armv7l/wheel/chemml/published/RI 2023-10-08T17:13:12,986 creating build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models 2023-10-08T17:13:12,988 creating build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:12,989 copying build/lib/chemml/published/RI/trained_models/single/dragon_number_density.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,046 copying build/lib/chemml/published/RI/trained_models/single/morgan_refractive_index.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,076 copying build/lib/chemml/published/RI/trained_models/single/hap_number_density_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,078 copying build/lib/chemml/published/RI/trained_models/single/morgan_number_density.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,146 copying build/lib/chemml/published/RI/trained_models/single/hap_polarizability.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,195 copying build/lib/chemml/published/RI/trained_models/single/htt_refractive_index_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,197 copying build/lib/chemml/published/RI/trained_models/single/dragon_polarizability_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,199 copying build/lib/chemml/published/RI/trained_models/single/morgan_polarizability_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,201 copying build/lib/chemml/published/RI/trained_models/single/dragon_refractive_index.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,228 copying build/lib/chemml/published/RI/trained_models/single/htt_number_density.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,283 copying build/lib/chemml/published/RI/trained_models/single/morgan_number_density_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,285 copying build/lib/chemml/published/RI/trained_models/single/hap_polarizability_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,286 copying build/lib/chemml/published/RI/trained_models/single/hap_refractive_index.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,339 copying build/lib/chemml/published/RI/trained_models/single/dragon_number_density_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,342 copying build/lib/chemml/published/RI/trained_models/single/htt_number_density_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,343 copying build/lib/chemml/published/RI/trained_models/single/htt_polarizability_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,345 copying build/lib/chemml/published/RI/trained_models/single/morgan_polarizability.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,409 copying build/lib/chemml/published/RI/trained_models/single/hap_number_density.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,476 copying build/lib/chemml/published/RI/trained_models/single/morgan_refractive_index_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,478 copying build/lib/chemml/published/RI/trained_models/single/dragon_polarizability.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,503 copying build/lib/chemml/published/RI/trained_models/single/htt_refractive_index.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,527 copying build/lib/chemml/published/RI/trained_models/single/hap_refractive_index_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,529 copying build/lib/chemml/published/RI/trained_models/single/dragon_refractive_index_chemml_model.csv -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,531 copying build/lib/chemml/published/RI/trained_models/single/htt_polarizability.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models/single 2023-10-08T17:13:13,599 copying build/lib/chemml/published/RI/trained_models/lorentz_lorenz.h5 -> build/bdist.linux-armv7l/wheel/chemml/published/RI/trained_models 2023-10-08T17:13:13,830 copying build/lib/chemml/published/RI/README.md -> build/bdist.linux-armv7l/wheel/chemml/published/RI 2023-10-08T17:13:13,832 copying build/lib/chemml/published/RI/__init__.py -> build/bdist.linux-armv7l/wheel/chemml/published/RI 2023-10-08T17:13:13,834 running install_egg_info 2023-10-08T17:13:13,866 Copying chemml.egg-info to build/bdist.linux-armv7l/wheel/chemml-1.3-py3.11.egg-info 2023-10-08T17:13:13,878 running install_scripts 2023-10-08T17:13:13,896 creating build/bdist.linux-armv7l/wheel/chemml-1.3.dist-info/WHEEL 2023-10-08T17:13:13,899 creating '/tmp/pip-wheel-cqgnhgfu/chemml-1.3-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2023-10-08T17:13:13,901 adding 'chemml/__init__.py' 2023-10-08T17:13:13,903 adding 'chemml/autoML/__init__.py' 2023-10-08T17:13:13,905 adding 'chemml/autoML/model_screener.py' 2023-10-08T17:13:13,907 adding 'chemml/autoML/models_dict.py' 2023-10-08T17:13:13,908 adding 'chemml/autoML/space.py' 2023-10-08T17:13:13,911 adding 'chemml/chem/CoulMat.py' 2023-10-08T17:13:13,913 adding 'chemml/chem/Dragon.py' 2023-10-08T17:13:13,915 adding 'chemml/chem/RDKFP.py' 2023-10-08T17:13:13,916 adding 'chemml/chem/__init__.py' 2023-10-08T17:13:13,919 adding 'chemml/chem/local_features.py' 2023-10-08T17:13:13,923 adding 'chemml/chem/molecule.py' 2023-10-08T17:13:13,925 adding 'chemml/chem/magpie_python/__init__.py' 2023-10-08T17:13:13,926 adding 'chemml/chem/magpie_python/attributes/__init__.py' 2023-10-08T17:13:13,928 adding 'chemml/chem/magpie_python/attributes/generators/__init__.py' 2023-10-08T17:13:13,932 adding 'chemml/chem/magpie_python/attributes/generators/composition/APEAttributeGenerator.py' 2023-10-08T17:13:13,933 adding 'chemml/chem/magpie_python/attributes/generators/composition/ChargeDependentAttributeGenerator.py' 2023-10-08T17:13:13,934 adding 'chemml/chem/magpie_python/attributes/generators/composition/ElementFractionAttributeGenerator.py' 2023-10-08T17:13:13,936 adding 'chemml/chem/magpie_python/attributes/generators/composition/ElementPairPropertyAttributeGenerator.py' 2023-10-08T17:13:13,938 adding 'chemml/chem/magpie_python/attributes/generators/composition/ElementalPropertyAttributeGenerator.py' 2023-10-08T17:13:13,939 adding 'chemml/chem/magpie_python/attributes/generators/composition/GCLPAttributeGenerator.py' 2023-10-08T17:13:13,941 adding 'chemml/chem/magpie_python/attributes/generators/composition/IonicCompoundProximityAttributeGenerator.py' 2023-10-08T17:13:13,942 adding 'chemml/chem/magpie_python/attributes/generators/composition/IonicityAttributeGenerator.py' 2023-10-08T17:13:13,944 adding 'chemml/chem/magpie_python/attributes/generators/composition/MeredigAttributeGenerator.py' 2023-10-08T17:13:13,945 adding 'chemml/chem/magpie_python/attributes/generators/composition/StoichiometricAttributeGenerator.py' 2023-10-08T17:13:13,946 adding 'chemml/chem/magpie_python/attributes/generators/composition/ValenceShellAttributeGenerator.py' 2023-10-08T17:13:13,948 adding 'chemml/chem/magpie_python/attributes/generators/composition/YangOmegaAttributeGenerator.py' 2023-10-08T17:13:13,949 adding 'chemml/chem/magpie_python/attributes/generators/composition/__init__.py' 2023-10-08T17:13:13,951 adding 'chemml/chem/magpie_python/attributes/generators/crystal/APRDFAttributeGenerator.py' 2023-10-08T17:13:13,953 adding 'chemml/chem/magpie_python/attributes/generators/crystal/ChemicalOrderingAttributeGenerator.py' 2023-10-08T17:13:13,954 adding 'chemml/chem/magpie_python/attributes/generators/crystal/CoordinationNumberAttributeGenerator.py' 2023-10-08T17:13:13,956 adding 'chemml/chem/magpie_python/attributes/generators/crystal/CoulombMatrixAttributeGenerator.py' 2023-10-08T17:13:13,957 adding 'chemml/chem/magpie_python/attributes/generators/crystal/EffectiveCoordinationNumberAttributeGenerator.py' 2023-10-08T17:13:13,959 adding 'chemml/chem/magpie_python/attributes/generators/crystal/LatticeSimilarityAttributeGenerator.py' 2023-10-08T17:13:13,961 adding 'chemml/chem/magpie_python/attributes/generators/crystal/LocalPropertyDifferenceAttributeGenerator.py' 2023-10-08T17:13:13,962 adding 'chemml/chem/magpie_python/attributes/generators/crystal/LocalPropertyVarianceAttributeGenerator.py' 2023-10-08T17:13:13,964 adding 'chemml/chem/magpie_python/attributes/generators/crystal/PRDFAttributeGenerator.py' 2023-10-08T17:13:13,965 adding 'chemml/chem/magpie_python/attributes/generators/crystal/PackingEfficiencyAttributeGenerator.py' 2023-10-08T17:13:13,967 adding 'chemml/chem/magpie_python/attributes/generators/crystal/StructuralHeterogeneityAttributeGenerator.py' 2023-10-08T17:13:13,968 adding 'chemml/chem/magpie_python/attributes/generators/crystal/__init__.py' 2023-10-08T17:13:13,969 adding 'chemml/chem/magpie_python/data/__init__.py' 2023-10-08T17:13:13,972 adding 'chemml/chem/magpie_python/data/materials/CompositionEntry.py' 2023-10-08T17:13:13,974 adding 'chemml/chem/magpie_python/data/materials/CrystalStructureEntry.py' 2023-10-08T17:13:13,975 adding 'chemml/chem/magpie_python/data/materials/__init__.py' 2023-10-08T17:13:13,977 adding 'chemml/chem/magpie_python/data/materials/util/GCLPCalculator.py' 2023-10-08T17:13:13,980 adding 'chemml/chem/magpie_python/data/materials/util/LookUpData.py' 2023-10-08T17:13:13,981 adding 'chemml/chem/magpie_python/data/materials/util/__init__.py' 2023-10-08T17:13:13,982 adding 'chemml/chem/magpie_python/data/utilities/__init__.py' 2023-10-08T17:13:13,984 adding 'chemml/chem/magpie_python/data/utilities/filters/CompositionDistanceFilter.py' 2023-10-08T17:13:13,985 adding 'chemml/chem/magpie_python/data/utilities/filters/__init__.py' 2023-10-08T17:13:13,988 adding 'chemml/chem/magpie_python/data/utilities/generators/PhaseDiagramCompositionEntryGenerator.py' 2023-10-08T17:13:13,989 adding 'chemml/chem/magpie_python/data/utilities/generators/__init__.py' 2023-10-08T17:13:13,991 adding 'chemml/chem/magpie_python/lookup-data/Abbreviation.table' 2023-10-08T17:13:13,993 adding 'chemml/chem/magpie_python/lookup-data/AtomicVolume.table' 2023-10-08T17:13:13,994 adding 'chemml/chem/magpie_python/lookup-data/AtomicWeight.table' 2023-10-08T17:13:13,995 adding 'chemml/chem/magpie_python/lookup-data/BoilingT.table' 2023-10-08T17:13:13,996 adding 'chemml/chem/magpie_python/lookup-data/BoilingTemp.table' 2023-10-08T17:13:13,997 adding 'chemml/chem/magpie_python/lookup-data/BulkModulus.table' 2023-10-08T17:13:13,998 adding 'chemml/chem/magpie_python/lookup-data/Column.table' 2023-10-08T17:13:13,999 adding 'chemml/chem/magpie_python/lookup-data/CovalentRadius.table' 2023-10-08T17:13:14,001 adding 'chemml/chem/magpie_python/lookup-data/Density.table' 2023-10-08T17:13:14,002 adding 'chemml/chem/magpie_python/lookup-data/DipolePolarizability.table' 2023-10-08T17:13:14,003 adding 'chemml/chem/magpie_python/lookup-data/ElectronAffinity.table' 2023-10-08T17:13:14,004 adding 'chemml/chem/magpie_python/lookup-data/Electronegativity.table' 2023-10-08T17:13:14,005 adding 'chemml/chem/magpie_python/lookup-data/FirstIonizationEnergy.table' 2023-10-08T17:13:14,007 adding 'chemml/chem/magpie_python/lookup-data/FusionEnthalpy.table' 2023-10-08T17:13:14,008 adding 'chemml/chem/magpie_python/lookup-data/GSbandgap.table' 2023-10-08T17:13:14,009 adding 'chemml/chem/magpie_python/lookup-data/GSenergy_pa.table' 2023-10-08T17:13:14,010 adding 'chemml/chem/magpie_python/lookup-data/GSestBCClatcnt.table' 2023-10-08T17:13:14,012 adding 'chemml/chem/magpie_python/lookup-data/GSestFCClatcnt.table' 2023-10-08T17:13:14,013 adding 'chemml/chem/magpie_python/lookup-data/GSmagmom.table' 2023-10-08T17:13:14,014 adding 'chemml/chem/magpie_python/lookup-data/GSvolume_pa.table' 2023-10-08T17:13:14,015 adding 'chemml/chem/magpie_python/lookup-data/HHIp.table' 2023-10-08T17:13:14,016 adding 'chemml/chem/magpie_python/lookup-data/HHIr.table' 2023-10-08T17:13:14,018 adding 'chemml/chem/magpie_python/lookup-data/HeatCapacityMass.table' 2023-10-08T17:13:14,019 adding 'chemml/chem/magpie_python/lookup-data/HeatCapacityMolar.table' 2023-10-08T17:13:14,020 adding 'chemml/chem/magpie_python/lookup-data/HeatFusion.table' 2023-10-08T17:13:14,021 adding 'chemml/chem/magpie_python/lookup-data/ICSDVolume.table' 2023-10-08T17:13:14,023 adding 'chemml/chem/magpie_python/lookup-data/IonizationEnergies.table' 2023-10-08T17:13:14,024 adding 'chemml/chem/magpie_python/lookup-data/IsAlkali.table' 2023-10-08T17:13:14,025 adding 'chemml/chem/magpie_python/lookup-data/IsDBlock.table' 2023-10-08T17:13:14,026 adding 'chemml/chem/magpie_python/lookup-data/IsFBlock.table' 2023-10-08T17:13:14,026 adding 'chemml/chem/magpie_python/lookup-data/IsMetal.table' 2023-10-08T17:13:14,027 adding 'chemml/chem/magpie_python/lookup-data/IsMetalloid.table' 2023-10-08T17:13:14,028 adding 'chemml/chem/magpie_python/lookup-data/IsNonmetal.table' 2023-10-08T17:13:14,030 adding 'chemml/chem/magpie_python/lookup-data/MeltingT.table' 2023-10-08T17:13:14,031 adding 'chemml/chem/magpie_python/lookup-data/MendeleevNumber.table' 2023-10-08T17:13:14,032 adding 'chemml/chem/magpie_python/lookup-data/MiracleRadius.table' 2023-10-08T17:13:14,033 adding 'chemml/chem/magpie_python/lookup-data/NUnfilled.table' 2023-10-08T17:13:14,034 adding 'chemml/chem/magpie_python/lookup-data/NValance.table' 2023-10-08T17:13:14,036 adding 'chemml/chem/magpie_python/lookup-data/NdUnfilled.table' 2023-10-08T17:13:14,037 adding 'chemml/chem/magpie_python/lookup-data/NdValence.table' 2023-10-08T17:13:14,038 adding 'chemml/chem/magpie_python/lookup-data/NfUnfilled.table' 2023-10-08T17:13:14,039 adding 'chemml/chem/magpie_python/lookup-data/NfValence.table' 2023-10-08T17:13:14,040 adding 'chemml/chem/magpie_python/lookup-data/NpUnfilled.table' 2023-10-08T17:13:14,041 adding 'chemml/chem/magpie_python/lookup-data/NpValence.table' 2023-10-08T17:13:14,042 adding 'chemml/chem/magpie_python/lookup-data/NsUnfilled.table' 2023-10-08T17:13:14,043 adding 'chemml/chem/magpie_python/lookup-data/NsValence.table' 2023-10-08T17:13:14,044 adding 'chemml/chem/magpie_python/lookup-data/Number.table' 2023-10-08T17:13:14,045 adding 'chemml/chem/magpie_python/lookup-data/OxidationStates.table' 2023-10-08T17:13:14,046 adding 'chemml/chem/magpie_python/lookup-data/Polarizability.table' 2023-10-08T17:13:14,048 adding 'chemml/chem/magpie_python/lookup-data/README.txt' 2023-10-08T17:13:14,049 adding 'chemml/chem/magpie_python/lookup-data/Row.table' 2023-10-08T17:13:14,050 adding 'chemml/chem/magpie_python/lookup-data/ShearModulus.table' 2023-10-08T17:13:14,052 adding 'chemml/chem/magpie_python/lookup-data/SpaceGroupNumber.table' 2023-10-08T17:13:14,053 adding 'chemml/chem/magpie_python/lookup-data/ZungerPP-r_d.table' 2023-10-08T17:13:14,054 adding 'chemml/chem/magpie_python/lookup-data/ZungerPP-r_p.table' 2023-10-08T17:13:14,055 adding 'chemml/chem/magpie_python/lookup-data/ZungerPP-r_pi.table' 2023-10-08T17:13:14,056 adding 'chemml/chem/magpie_python/lookup-data/ZungerPP-r_s.table' 2023-10-08T17:13:14,057 adding 'chemml/chem/magpie_python/lookup-data/ZungerPP-r_sigma.table' 2023-10-08T17:13:14,058 adding 'chemml/chem/magpie_python/lookup-data/n_ws^third.table' 2023-10-08T17:13:14,060 adding 'chemml/chem/magpie_python/lookup-data/phi.table' 2023-10-08T17:13:14,074 adding 'chemml/chem/magpie_python/lookup-data/pair/B2BondLength.table' 2023-10-08T17:13:14,089 adding 'chemml/chem/magpie_python/lookup-data/pair/B2Volume.table' 2023-10-08T17:13:14,096 adding 'chemml/chem/magpie_python/lookup-data/pair/MiedemaLiquidDeltaHf.table' 2023-10-08T17:13:14,098 adding 'chemml/chem/magpie_python/lookup-data/pair/README.txt' 2023-10-08T17:13:14,100 adding 'chemml/chem/magpie_python/models/__init__.py' 2023-10-08T17:13:14,101 adding 'chemml/chem/magpie_python/models/regression/__init__.py' 2023-10-08T17:13:14,104 adding 'chemml/chem/magpie_python/models/regression/crystal/CoulombSineMatrixRegression.py' 2023-10-08T17:13:14,105 adding 'chemml/chem/magpie_python/models/regression/crystal/PRDFRegression.py' 2023-10-08T17:13:14,106 adding 'chemml/chem/magpie_python/models/regression/crystal/__init__.py' 2023-10-08T17:13:14,108 adding 'chemml/chem/magpie_python/utility/EqualSumCombinations.py' 2023-10-08T17:13:14,110 adding 'chemml/chem/magpie_python/utility/__init__.py' 2023-10-08T17:13:14,112 adding 'chemml/chem/magpie_python/utility/tools/IonicCompoundFinder.py' 2023-10-08T17:13:14,113 adding 'chemml/chem/magpie_python/utility/tools/OxidationStateGuesser.py' 2023-10-08T17:13:14,114 adding 'chemml/chem/magpie_python/utility/tools/__init__.py' 2023-10-08T17:13:14,116 adding 'chemml/chem/magpie_python/vassal/__init__.py' 2023-10-08T17:13:14,118 adding 'chemml/chem/magpie_python/vassal/analysis/APRDFAnalysis.py' 2023-10-08T17:13:14,120 adding 'chemml/chem/magpie_python/vassal/analysis/PairDistanceAnalysis.py' 2023-10-08T17:13:14,122 adding 'chemml/chem/magpie_python/vassal/analysis/VoronoiCellBasedAnalysis.py' 2023-10-08T17:13:14,124 adding 'chemml/chem/magpie_python/vassal/analysis/__init__.py' 2023-10-08T17:13:14,128 adding 'chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiCell.py' 2023-10-08T17:13:14,131 adding 'chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiEdge.py' 2023-10-08T17:13:14,134 adding 'chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiFace.py' 2023-10-08T17:13:14,135 adding 'chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiTessellationCalculator.py' 2023-10-08T17:13:14,137 adding 'chemml/chem/magpie_python/vassal/analysis/voronoi/VoronoiVertex.py' 2023-10-08T17:13:14,138 adding 'chemml/chem/magpie_python/vassal/analysis/voronoi/__init__.py' 2023-10-08T17:13:14,140 adding 'chemml/chem/magpie_python/vassal/data/Atom.py' 2023-10-08T17:13:14,141 adding 'chemml/chem/magpie_python/vassal/data/AtomImage.py' 2023-10-08T17:13:14,144 adding 'chemml/chem/magpie_python/vassal/data/Cell.py' 2023-10-08T17:13:14,146 adding 'chemml/chem/magpie_python/vassal/data/__init__.py' 2023-10-08T17:13:14,148 adding 'chemml/chem/magpie_python/vassal/geometry/Line.py' 2023-10-08T17:13:14,149 adding 'chemml/chem/magpie_python/vassal/geometry/Plane.py' 2023-10-08T17:13:14,151 adding 'chemml/chem/magpie_python/vassal/geometry/__init__.py' 2023-10-08T17:13:14,153 adding 'chemml/chem/magpie_python/vassal/io/VASP5IO.py' 2023-10-08T17:13:14,154 adding 'chemml/chem/magpie_python/vassal/io/__init__.py' 2023-10-08T17:13:14,156 adding 'chemml/chem/magpie_python/vassal/util/VectorCombinationComputer.py' 2023-10-08T17:13:14,157 adding 'chemml/chem/magpie_python/vassal/util/__init__.py' 2023-10-08T17:13:14,159 adding 'chemml/datasets/__init__.py' 2023-10-08T17:13:14,160 adding 'chemml/datasets/base.py' 2023-10-08T17:13:14,166 adding 'chemml/datasets/data/cep_homo.csv' 2023-10-08T17:13:14,348 adding 'chemml/datasets/data/moldescriptor_density_smiles.csv' 2023-10-08T17:13:14,354 adding 'chemml/datasets/data/magpie_python_test/1001-N1Y1.vasp' 2023-10-08T17:13:14,356 adding 'chemml/datasets/data/magpie_python_test/1004-C1.vasp' 2023-10-08T17:13:14,357 adding 'chemml/datasets/data/magpie_python_test/11375-C2N1.vasp' 2023-10-08T17:13:14,358 adding 'chemml/datasets/data/magpie_python_test/12012-Ge2Ru2Tb1.vasp' 2023-10-08T17:13:14,359 adding 'chemml/datasets/data/magpie_python_test/1214-Zr1.vasp' 2023-10-08T17:13:14,360 adding 'chemml/datasets/data/magpie_python_test/1565-Sc1.vasp' 2023-10-08T17:13:14,361 adding 'chemml/datasets/data/magpie_python_test/16234-O2Si1.vasp' 2023-10-08T17:13:14,363 adding 'chemml/datasets/data/magpie_python_test/3315-Ge2Os2Th1.vasp' 2023-10-08T17:13:14,364 adding 'chemml/datasets/data/magpie_python_test/3778-Sr1Zn2.vasp' 2023-10-08T17:13:14,365 adding 'chemml/datasets/data/magpie_python_test/393-Ta1.vasp' 2023-10-08T17:13:14,366 adding 'chemml/datasets/data/magpie_python_test/399-Si1.vasp' 2023-10-08T17:13:14,367 adding 'chemml/datasets/data/magpie_python_test/4746-Cd1Cu4Er1.vasp' 2023-10-08T17:13:14,369 adding 'chemml/datasets/data/magpie_python_test/478-Li1.vasp' 2023-10-08T17:13:14,370 adding 'chemml/datasets/data/magpie_python_test/592-Ho1.vasp' 2023-10-08T17:13:14,371 adding 'chemml/datasets/data/magpie_python_test/673-B1.vasp' 2023-10-08T17:13:14,372 adding 'chemml/datasets/data/magpie_python_test/7823-Hg2K1.vasp' 2023-10-08T17:13:14,373 adding 'chemml/datasets/data/magpie_python_test/8379-Ag2Pr1Si2.vasp' 2023-10-08T17:13:14,374 adding 'chemml/datasets/data/magpie_python_test/846-C1.vasp' 2023-10-08T17:13:14,377 adding 'chemml/datasets/data/magpie_python_test/small_set_comp.txt' 2023-10-08T17:13:14,379 adding 'chemml/datasets/data/magpie_python_test/small_set_delta_e.txt' 2023-10-08T17:13:14,382 adding 'chemml/datasets/data/organic_xyz/10_opt.xyz' 2023-10-08T17:13:14,383 adding 'chemml/datasets/data/organic_xyz/11_opt.xyz' 2023-10-08T17:13:14,384 adding 'chemml/datasets/data/organic_xyz/12_opt.xyz' 2023-10-08T17:13:14,385 adding 'chemml/datasets/data/organic_xyz/13_opt.xyz' 2023-10-08T17:13:14,387 adding 'chemml/datasets/data/organic_xyz/14_opt.xyz' 2023-10-08T17:13:14,388 adding 'chemml/datasets/data/organic_xyz/15_opt.xyz' 2023-10-08T17:13:14,389 adding 'chemml/datasets/data/organic_xyz/16_opt.xyz' 2023-10-08T17:13:14,390 adding 'chemml/datasets/data/organic_xyz/17_opt.xyz' 2023-10-08T17:13:14,392 adding 'chemml/datasets/data/organic_xyz/18_opt.xyz' 2023-10-08T17:13:14,393 adding 'chemml/datasets/data/organic_xyz/19_opt.xyz' 2023-10-08T17:13:14,394 adding 'chemml/datasets/data/organic_xyz/1_opt.mol2' 2023-10-08T17:13:14,396 adding 'chemml/datasets/data/organic_xyz/1_opt.sdf' 2023-10-08T17:13:14,397 adding 'chemml/datasets/data/organic_xyz/1_opt.xyz' 2023-10-08T17:13:14,398 adding 'chemml/datasets/data/organic_xyz/20_opt.xyz' 2023-10-08T17:13:14,399 adding 'chemml/datasets/data/organic_xyz/21_opt.xyz' 2023-10-08T17:13:14,400 adding 'chemml/datasets/data/organic_xyz/22_opt.xyz' 2023-10-08T17:13:14,402 adding 'chemml/datasets/data/organic_xyz/23_opt.xyz' 2023-10-08T17:13:14,403 adding 'chemml/datasets/data/organic_xyz/24_opt.xyz' 2023-10-08T17:13:14,404 adding 'chemml/datasets/data/organic_xyz/25_opt.xyz' 2023-10-08T17:13:14,405 adding 'chemml/datasets/data/organic_xyz/26_opt.xyz' 2023-10-08T17:13:14,406 adding 'chemml/datasets/data/organic_xyz/27_opt.xyz' 2023-10-08T17:13:14,408 adding 'chemml/datasets/data/organic_xyz/28_opt.xyz' 2023-10-08T17:13:14,409 adding 'chemml/datasets/data/organic_xyz/29_opt.xyz' 2023-10-08T17:13:14,410 adding 'chemml/datasets/data/organic_xyz/2_opt.sdf' 2023-10-08T17:13:14,411 adding 'chemml/datasets/data/organic_xyz/2_opt.xyz' 2023-10-08T17:13:14,412 adding 'chemml/datasets/data/organic_xyz/30_opt.xyz' 2023-10-08T17:13:14,414 adding 'chemml/datasets/data/organic_xyz/31_opt.xyz' 2023-10-08T17:13:14,415 adding 'chemml/datasets/data/organic_xyz/32_opt.xyz' 2023-10-08T17:13:14,416 adding 'chemml/datasets/data/organic_xyz/33_opt.xyz' 2023-10-08T17:13:14,418 adding 'chemml/datasets/data/organic_xyz/34_opt.xyz' 2023-10-08T17:13:14,419 adding 'chemml/datasets/data/organic_xyz/35_opt.xyz' 2023-10-08T17:13:14,420 adding 'chemml/datasets/data/organic_xyz/36_opt.xyz' 2023-10-08T17:13:14,422 adding 'chemml/datasets/data/organic_xyz/37_opt.xyz' 2023-10-08T17:13:14,423 adding 'chemml/datasets/data/organic_xyz/38_opt.xyz' 2023-10-08T17:13:14,424 adding 'chemml/datasets/data/organic_xyz/39_opt.xyz' 2023-10-08T17:13:14,425 adding 'chemml/datasets/data/organic_xyz/3_opt.xyz' 2023-10-08T17:13:14,427 adding 'chemml/datasets/data/organic_xyz/40_opt.xyz' 2023-10-08T17:13:14,428 adding 'chemml/datasets/data/organic_xyz/41_opt.xyz' 2023-10-08T17:13:14,429 adding 'chemml/datasets/data/organic_xyz/42_opt.xyz' 2023-10-08T17:13:14,430 adding 'chemml/datasets/data/organic_xyz/43_opt.xyz' 2023-10-08T17:13:14,432 adding 'chemml/datasets/data/organic_xyz/44_opt.xyz' 2023-10-08T17:13:14,433 adding 'chemml/datasets/data/organic_xyz/45_opt.xyz' 2023-10-08T17:13:14,434 adding 'chemml/datasets/data/organic_xyz/46_opt.xyz' 2023-10-08T17:13:14,435 adding 'chemml/datasets/data/organic_xyz/47_opt.xyz' 2023-10-08T17:13:14,437 adding 'chemml/datasets/data/organic_xyz/48_opt.xyz' 2023-10-08T17:13:14,438 adding 'chemml/datasets/data/organic_xyz/49_opt.xyz' 2023-10-08T17:13:14,439 adding 'chemml/datasets/data/organic_xyz/4_opt.xyz' 2023-10-08T17:13:14,441 adding 'chemml/datasets/data/organic_xyz/50_opt.xyz' 2023-10-08T17:13:14,442 adding 'chemml/datasets/data/organic_xyz/5_opt.xyz' 2023-10-08T17:13:14,443 adding 'chemml/datasets/data/organic_xyz/6_opt.xyz' 2023-10-08T17:13:14,444 adding 'chemml/datasets/data/organic_xyz/7_opt.xyz' 2023-10-08T17:13:14,445 adding 'chemml/datasets/data/organic_xyz/8_opt.xyz' 2023-10-08T17:13:14,446 adding 'chemml/datasets/data/organic_xyz/9_opt.xyz' 2023-10-08T17:13:14,447 adding 'chemml/datasets/data/organic_xyz/pol.csv' 2023-10-08T17:13:14,449 adding 'chemml/datasets/data/test_files/Dragon_script.drs' 2023-10-08T17:13:14,451 adding 'chemml/datasets/data/test_files/Dragon_script_broken.drs' 2023-10-08T17:13:14,452 adding 'chemml/datasets/data/test_files/smiles.smi' 2023-10-08T17:13:14,453 adding 'chemml/datasets/data/test_files/test_missing_values.csv' 2023-10-08T17:13:14,454 adding 'chemml/datasets/data/test_files/smiles/mol_1.smi' 2023-10-08T17:13:14,455 adding 'chemml/datasets/data/test_files/smiles/mol_12.smi' 2023-10-08T17:13:14,456 adding 'chemml/datasets/data/test_files/smiles/mol_2.smi' 2023-10-08T17:13:14,458 adding 'chemml/explain/__init__.py' 2023-10-08T17:13:14,460 adding 'chemml/explain/explain.py' 2023-10-08T17:13:14,462 adding 'chemml/explain/visualize.py' 2023-10-08T17:13:14,464 adding 'chemml/initialization/__init__.py' 2023-10-08T17:13:14,466 adding 'chemml/initialization/initialization.py' 2023-10-08T17:13:14,468 adding 'chemml/models/__init__.py' 2023-10-08T17:13:14,471 adding 'chemml/models/graphconvlayers.py' 2023-10-08T17:13:14,474 adding 'chemml/models/mlp.py' 2023-10-08T17:13:14,476 adding 'chemml/models/transfer.py' 2023-10-08T17:13:14,477 adding 'chemml/optimization/__init__.py' 2023-10-08T17:13:14,484 adding 'chemml/optimization/active.py' 2023-10-08T17:13:14,487 adding 'chemml/optimization/genetic_algorithm.py' 2023-10-08T17:13:14,488 adding 'chemml/preprocessing/__init__.py' 2023-10-08T17:13:14,490 adding 'chemml/preprocessing/handle_missing.py' 2023-10-08T17:13:14,492 adding 'chemml/published/__init__.py' 2023-10-08T17:13:14,493 adding 'chemml/published/RI/README.md' 2023-10-08T17:13:14,494 adding 'chemml/published/RI/__init__.py' 2023-10-08T17:13:14,496 adding 'chemml/published/RI/lorentz_lorenz.py' 2023-10-08T17:13:14,498 adding 'chemml/published/RI/input_files/__init__.py' 2023-10-08T17:13:14,500 adding 'chemml/published/RI/input_files/load.py' 2023-10-08T17:13:17,142 adding 'chemml/published/RI/input_files/properties.csv' 2023-10-08T17:13:17,577 adding 'chemml/published/RI/input_files/properties_10k.csv' 2023-10-08T17:13:20,138 adding 'chemml/published/RI/trained_models/lorentz_lorenz.h5' 2023-10-08T17:13:20,827 adding 'chemml/published/RI/trained_models/single/dragon_number_density.h5' 2023-10-08T17:13:20,858 adding 'chemml/published/RI/trained_models/single/dragon_number_density_chemml_model.csv' 2023-10-08T17:13:21,084 adding 'chemml/published/RI/trained_models/single/dragon_polarizability.h5' 2023-10-08T17:13:21,097 adding 'chemml/published/RI/trained_models/single/dragon_polarizability_chemml_model.csv' 2023-10-08T17:13:21,374 adding 'chemml/published/RI/trained_models/single/dragon_refractive_index.h5' 2023-10-08T17:13:21,389 adding 'chemml/published/RI/trained_models/single/dragon_refractive_index_chemml_model.csv' 2023-10-08T17:13:21,969 adding 'chemml/published/RI/trained_models/single/hap_number_density.h5' 2023-10-08T17:13:22,097 adding 'chemml/published/RI/trained_models/single/hap_number_density_chemml_model.csv' 2023-10-08T17:13:22,598 adding 'chemml/published/RI/trained_models/single/hap_polarizability.h5' 2023-10-08T17:13:22,627 adding 'chemml/published/RI/trained_models/single/hap_polarizability_chemml_model.csv' 2023-10-08T17:13:23,135 adding 'chemml/published/RI/trained_models/single/hap_refractive_index.h5' 2023-10-08T17:13:23,164 adding 'chemml/published/RI/trained_models/single/hap_refractive_index_chemml_model.csv' 2023-10-08T17:13:23,698 adding 'chemml/published/RI/trained_models/single/htt_number_density.h5' 2023-10-08T17:13:23,726 adding 'chemml/published/RI/trained_models/single/htt_number_density_chemml_model.csv' 2023-10-08T17:13:24,555 adding 'chemml/published/RI/trained_models/single/htt_polarizability.h5' 2023-10-08T17:13:24,634 adding 'chemml/published/RI/trained_models/single/htt_polarizability_chemml_model.csv' 2023-10-08T17:13:24,844 adding 'chemml/published/RI/trained_models/single/htt_refractive_index.h5' 2023-10-08T17:13:24,858 adding 'chemml/published/RI/trained_models/single/htt_refractive_index_chemml_model.csv' 2023-10-08T17:13:25,520 adding 'chemml/published/RI/trained_models/single/morgan_number_density.h5' 2023-10-08T17:13:25,555 adding 'chemml/published/RI/trained_models/single/morgan_number_density_chemml_model.csv' 2023-10-08T17:13:26,157 adding 'chemml/published/RI/trained_models/single/morgan_polarizability.h5' 2023-10-08T17:13:26,202 adding 'chemml/published/RI/trained_models/single/morgan_polarizability_chemml_model.csv' 2023-10-08T17:13:26,516 adding 'chemml/published/RI/trained_models/single/morgan_refractive_index.h5' 2023-10-08T17:13:26,532 adding 'chemml/published/RI/trained_models/single/morgan_refractive_index_chemml_model.csv' 2023-10-08T17:13:26,534 adding 'chemml/utils/__init__.py' 2023-10-08T17:13:26,537 adding 'chemml/utils/utilities.py' 2023-10-08T17:13:26,538 adding 'chemml/utils/validation.py' 2023-10-08T17:13:26,540 adding 'chemml/visualization/__init__.py' 2023-10-08T17:13:26,543 adding 'chemml/visualization/visualization.py' 2023-10-08T17:13:26,544 adding 'chemml/wrapper/__init__.py' 2023-10-08T17:13:26,547 adding 'chemml/wrapper/base.py' 2023-10-08T17:13:26,549 adding 'chemml/wrapper/engine.py' 2023-10-08T17:13:26,551 adding 'chemml/wrapper/interfaces.py' 2023-10-08T17:13:26,553 adding 'chemml/wrapper/chemml_cml/__init__.py' 2023-10-08T17:13:26,559 adding 'chemml/wrapper/chemml_cml/chemml_wrapper.py' 2023-10-08T17:13:26,561 adding 'chemml/wrapper/database/__init__.py' 2023-10-08T17:13:26,565 adding 'chemml/wrapper/database/chemml_db.py' 2023-10-08T17:13:26,567 adding 'chemml/wrapper/database/containers.py' 2023-10-08T17:13:26,568 adding 'chemml/wrapper/database/pandas_db.py' 2023-10-08T17:13:26,573 adding 'chemml/wrapper/database/sklearn_db.py' 2023-10-08T17:13:26,575 adding 'chemml/wrapper/metadata/__init__.py' 2023-10-08T17:13:26,576 adding 'chemml/wrapper/notebook/TSHF.py' 2023-10-08T17:13:26,578 adding 'chemml/wrapper/notebook/__init__.py' 2023-10-08T17:13:26,584 adding 'chemml/wrapper/notebook/main.py' 2023-10-08T17:13:26,587 adding 'chemml/wrapper/notebook/templates.py' 2023-10-08T17:13:26,589 adding 'chemml/wrapper/notebook/tutorials.py' 2023-10-08T17:13:26,590 adding 'chemml/wrapper/pandas_pd/__init__.py' 2023-10-08T17:13:26,592 adding 'chemml/wrapper/pandas_pd/pandas_wrapper.py' 2023-10-08T17:13:26,594 adding 'chemml/wrapper/preprocessing/__init__.py' 2023-10-08T17:13:26,595 adding 'chemml/wrapper/preprocessing/miscellaneous.py' 2023-10-08T17:13:26,597 adding 'chemml/wrapper/sklearn_skl/KFold_wrapper.py' 2023-10-08T17:13:26,598 adding 'chemml/wrapper/sklearn_skl/KernelRidge_wrapper.py' 2023-10-08T17:13:26,599 adding 'chemml/wrapper/sklearn_skl/LeaveOneOut.py' 2023-10-08T17:13:26,600 adding 'chemml/wrapper/sklearn_skl/__init__.py' 2023-10-08T17:13:26,602 adding 'chemml/wrapper/sklearn_skl/scorer_regression.py' 2023-10-08T17:13:26,604 adding 'chemml/wrapper/sklearn_skl/sklearn_wrapper.py' 2023-10-08T17:13:26,606 adding 'chemml/wrapper/sklearn_skl/syntax.py' 2023-10-08T17:13:26,608 adding 'chemml/wrapper/sklearn_skl/train_test_split_wrapper.py' 2023-10-08T17:13:26,610 adding 'chemml-1.3.dist-info/LICENSE' 2023-10-08T17:13:26,611 adding 'chemml-1.3.dist-info/METADATA' 2023-10-08T17:13:26,612 adding 'chemml-1.3.dist-info/WHEEL' 2023-10-08T17:13:26,613 adding 'chemml-1.3.dist-info/top_level.txt' 2023-10-08T17:13:26,619 adding 'chemml-1.3.dist-info/RECORD' 2023-10-08T17:13:26,641 removing build/bdist.linux-armv7l/wheel 2023-10-08T17:13:26,855 Building wheel for chemml (setup.py): finished with status 'done' 2023-10-08T17:13:28,068 Created wheel for chemml: filename=chemml-1.3-py3-none-any.whl size=52944056 sha256=7100898f916877824019516fbe358caac546a5bc762ba61c6b64b89b89c92e56 2023-10-08T17:13:28,069 Stored in directory: /tmp/pip-ephem-wheel-cache-m4cbbubv/wheels/48/67/9f/23fbf254048188c19a5c17efe0832cabf757017e49bcf94e36 2023-10-08T17:13:28,107 Successfully built chemml 2023-10-08T17:13:29,310 Removed build tracker: '/tmp/pip-build-tracker-v_4lwr1a'