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qcengine

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0.30.0 qcengine-0.30.0-py3-none-any.whl

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Project: qcengine
Version: 0.30.0
Filename: qcengine-0.30.0-py3-none-any.whl
Download: [link]
Size: 339453
MD5: 48d02e553ca4ba2d7c7e0dd70f9b1435
SHA256: 312f03825918d6bfc640ce9cf49257d3dd2d3966354d8db3003391cd703026df
Uploaded: 2024-06-25 21:25:32 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: qcengine
Version: 0.30.0
Summary: A compute wrapper for Quantum Chemistry.
Author: The QCArchive Development Team
Author-Email: qcarchive[at]molssi.org
Home-Page: https://github.com/MolSSI/QCEngine
License: BSD-3C
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Dist: pyyaml
Requires-Dist: py-cpuinfo
Requires-Dist: psutil
Requires-Dist: qcelemental (<0.30.0,>=0.24.0)
Requires-Dist: pydantic (>=1.8.2)
Requires-Dist: sphinx (==1.2.3); extra == "docs"
Requires-Dist: sphinxcontrib-napoleon; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: numpydoc; extra == "docs"
Requires-Dist: black (<23.0a0,>=22.1.0); extra == "lint"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: pytest-cov; extra == "tests"
Provides-Extra: docs
Provides-Extra: lint
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2318 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (70.1.0)
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Tag: py3-none-any

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qcengine-0.30.0.dist-info/RECORD — —

top_level.txt

qcengine

entry_points.txt

[console_scripts]
qcengine = qcengine.cli:main