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0.5.0 fragment_qc-0.5.0-py3-none-any.whl

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Project: fragment-qc
Version: 0.5.0
Filename: fragment_qc-0.5.0-py3-none-any.whl
Download: [link]
Size: 97519
MD5: 12667c094a00eff1af79fbc9f11e5176
SHA256: a8a3905641941aec9d3aeff5674177218db274d27c0b8a053b557fa1e959d6ae
Uploaded: 2025-03-14 21:20:51 +0000

dist-info

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

METADATA

Metadata-Version: 2.2
Name: fragment-qc
Version: 0.5.0
Summary: A Fragmentation Framework
Author-Email: Dustin Broderick <broderick.62[at]osu.edu>, Paige Bowling <bowling.181[at]osu.edu>
Project-Url: Homepage, https://fragment-qc.gitlab.io
Project-Url: Source, https://gitlab.com/fragment-qc/fragment
Project-Url: Issues, https://gitlab.com/fragment-qc/fragment/-/issues
License: Apache-2.0
Keywords: ab initio,chemistry
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Development Status :: 3 - Alpha
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.10
Requires-Dist: atomdriver-qc (>=0.1.2)
Requires-Dist: Click
Requires-Dist: conformer-qc (>=0.1.2)
Requires-Dist: lru-dict (>=1.3)
Requires-Dist: networkx (<4.0,>=3.1)
Requires-Dist: numpy (>=1.21)
Requires-Dist: peewee (<4.0,>=3.16)
Requires-Dist: pydantic (<3.0,>=2.7)
Requires-Dist: rustworkx (>=0.15)
Requires-Dist: scipy (>=1.7)
Requires-Dist: tdqm
Requires-Dist: xarray (>=2024.6)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
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Requires-Dist: pytest; extra == "test"
Requires-Dist: licenseheaders; extra == "test"
Requires-Dist: ruff; extra == "test"
Requires-Dist: ruff; extra == "dev"
Requires-Dist: esbonio; extra == "dev"
Requires-Dist: sphinx-autobuild; extra == "dev"
Requires-Dist: licenseheaders; extra == "dev"
Requires-Dist: build; extra == "build"
Requires-Dist: twine; extra == "build"
Provides-Extra: docs
Provides-Extra: test
Provides-Extra: dev
Provides-Extra: build
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1159 characters]

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top_level.txt

fragment

entry_points.txt

[console_scripts]
fragment = fragment.app.cli.__main__:main