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1.8.1 cclib-1.8.1-py3-none-any.whl

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Project: cclib
Version: 1.8.1
Filename: cclib-1.8.1-py3-none-any.whl
Download: [link]
Size: 353649
MD5: b8429fc9e44f71d1e6bfd4f098ad6cde
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Uploaded: 2024-03-18 16:36:26 +0000

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

METADATA

Metadata-Version: 2.1
Name: cclib
Version: 1.8.1
Summary: parsers and algorithms for computational chemistry
Author-Email: cclib development team <cclib[at]googlegroups.com>
Maintainer-Email: cclib development team <cclib[at]googlegroups.com>
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
License: BSD 3-Clause License Copyright (c) 2024, the cclib development team All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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
Requires-Dist: numpy
Requires-Dist: packaging (>=19.0)
Requires-Dist: periodictable
Requires-Dist: scipy (>=1.2.0)
Requires-Dist: cclib[bridges]; extra == "all"
Requires-Dist: ase (>=3.21); extra == "bridges"
Requires-Dist: biopython; extra == "bridges"
Requires-Dist: openbabel; extra == "bridges"
Requires-Dist: pandas; extra == "bridges"
Requires-Dist: pyscf; extra == "bridges"
Requires-Dist: qc-iodata (>=1.0.0a2); extra == "bridges"
Requires-Dist: cclib[bridges,docs,test]; extra == "dev"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: pytest; extra == "test"
Requires-Dist: coverage; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Provides-Extra: all
Provides-Extra: bridges
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: test
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1066 characters]

WHEEL

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top_level.txt

cclib

entry_points.txt

[console_scripts]
ccframe = cclib.scripts.ccframe:main
ccget = cclib.scripts.ccget:ccget
ccwrite = cclib.scripts.ccwrite:main
cda = cclib.scripts.cda:main