qcportal

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0.58 qcportal-0.58-py3-none-any.whl

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Project: qcportal
Version: 0.58
Filename: qcportal-0.58-py3-none-any.whl
Download: [link]
Size: 136014
MD5: f4ea04dbf7e21400bb5d7d97432d5f82
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Uploaded: 2025-02-01 14:28:22 +0000

dist-info

METADATA

Metadata-Version: 2.2
Name: qcportal
Version: 0.58
Summary: A distributed compute and database platform for quantum chemistry.
Author-Email: Benjamin Pritchard <qcarchive[at]molssi.org>
Project-Url: Homepage, https://github.com/MolSSI/QCFractal
Project-Url: Bug Tracker, https://github.com/MolSSI/QCFractal/issues
Classifier: Programming Language :: Python :: 3
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS
Requires-Python: >=3.8
Requires-Dist: numpy
Requires-Dist: msgpack
Requires-Dist: requests
Requires-Dist: pyyaml
Requires-Dist: pydantic
Requires-Dist: zstandard
Requires-Dist: apsw (>=3.42)
Requires-Dist: qcelemental (<0.70a0)
Requires-Dist: tabulate
Requires-Dist: tqdm
Requires-Dist: pandas
Requires-Dist: pyjwt (>=2.10)
Requires-Dist: packaging
Requires-Dist: typing_extensions
Requires-Dist: python-dateutil
Requires-Dist: pytz
Description-Content-Type: text/markdown
[No description]

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qcportal