Metadata-Version: 2.4
Name: cclib
Version: 1.8.1
Summary: parsers and algorithms for computational chemistry
Author-email: cclib development team <cclib@googlegroups.com>
Maintainer-email: cclib development team <cclib@googlegroups.com>
License: BSD 3-Clause License
        
        Copyright (c) 2024, the cclib development team
        All rights reserved.
        
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Project-URL: Bug Tracker, https://github.com/cclib/cclib/issues
Project-URL: Changelog, https://github.com/cclib/cclib/blob/master/doc/sphinx/changelog.rst
Project-URL: Documentation, http://cclib.github.io/
Project-URL: Homepage, https://github.com/cclib/cclib
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: packaging>=19.0
Requires-Dist: periodictable
Requires-Dist: scipy>=1.2.0
Provides-Extra: bridges
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Requires-Dist: openbabel; extra == "bridges"
Requires-Dist: pandas; extra == "bridges"
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Provides-Extra: docs
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx_rtd_theme; extra == "docs"
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Requires-Dist: coverage; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: dev
Requires-Dist: cclib[bridges,docs,test]; extra == "dev"
Provides-Extra: all
Requires-Dist: cclib[bridges]; extra == "all"
Dynamic: license-file

### cclib

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8280878.svg)](https://doi.org/10.5281/zenodo.8280878)
[![PyPI version](http://img.shields.io/pypi/v/cclib.svg?style=flat)](https://pypi.python.org/pypi/cclib)
[![GitHub release](https://img.shields.io/github/release/cclib/cclib.svg?style=flat)](https://github.com/cclib/cclib/releases)
[![build status](https://github.com/cclib/cclib/actions/workflows/ci.yml/badge.svg?branch=master)](https://github.com/cclib/cclib/actions/workflows/cclib_pytest.yml)
[![license](http://img.shields.io/badge/license-BSD-blue.svg?style=flat)](https://github.com/cclib/cclib/blob/master/LICENSE)

<img src="./logo.png" alt="cclib logo" width="100" />

cclib is a Python library that provides parsers for output files of computational chemistry packages. It also provides a platform for computational chemists to implement algorithms in a platform-independent way.

For more information, go to [https://cclib.github.io](https://cclib.github.io). There is a mailing list for questions at https://groups.google.com/g/cclib.
