Metadata-Version: 2.1
Name: conformer-qc
Version: 0.1.3
Summary: Molecular geometry library
Author: Joshua Shockey, Sharique Ahmed
Author-email: Dustin Broderick <broderick.62@osu.edu>, Paige Bowling <bowling.181@osu.edu>
License: Apache-2.0
Project-URL: Homepage, https://fragment-qc.gitlab.io
Project-URL: Source, https://gitlab.com/fragment-qc/conformer
Project-URL: Issues, https://gitlab.com/fragment-qc/conformer/-/issues
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
Description-Content-Type: text/markdown
Requires-Dist: numpy >=1.21
Requires-Dist: scipy >=1.7
Requires-Dist: peewee <4.0,>=3.16
Requires-Dist: pyyaml >=6.0.1
Requires-Dist: qcelemental >=0.27
Requires-Dist: pydantic <3.0,>=2.7
Requires-Dist: networkx <4.0,>=3.1
Requires-Dist: lru-dict >=1.3
Requires-Dist: xarray >=2024.6
Provides-Extra: build
Requires-Dist: build ; extra == 'build'
Requires-Dist: twine ; extra == 'build'
Provides-Extra: dev
Requires-Dist: ruff ; extra == 'dev'
Requires-Dist: esbonio ; extra == 'dev'
Requires-Dist: sphinx-autobuild ; extra == 'dev'
Requires-Dist: unittest-xml-reporting ; extra == 'dev'
Requires-Dist: licenseheaders ; extra == 'dev'
Provides-Extra: docs
Requires-Dist: sphinx ; extra == 'docs'
Requires-Dist: sphinx-autodoc-typehints ; extra == 'docs'
Requires-Dist: sphinxcontrib-katex ; extra == 'docs'
Requires-Dist: furo ; extra == 'docs'

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# Conformer

A package for molecular systems
