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compchem-si

0.1.0

compchem_si-0.1.0-py3-none-any.whl

Wheel Details

Project:	compchem-si
Version:	0.1.0
Filename:	compchem_si-0.1.0-py3-none-any.whl
Download:	[link]
Size:	5116
MD5:	`3824af9fd3207ee8eaea45e78a82354c`
SHA256:	`bdb28a411593e3c5f1ff488f11d840ff5e18f084f9e15dfe3c07c19e81f1b73d`
Uploaded:	2024-06-10 15:46:36 +0000

dist-info

METADATA · WHEEL · RECORD

METADATA

Metadata-Version:	2.1
Name:	compchem-si
Version:	0.1.0
Summary:	A plugin for generating SI data from Gaussian output files
Author-Email:	Kevin Lefrancois-Gagnon <kgagnon[at]lakeheadu.ca>, Robert Mawhinney <rmawhinn[at]lakeheadu.ca>
Project-Url:	Source, https://github.com/kmlefran/compchem-si
Keywords:	gaussian,electronic structure calculations
Classifier:	Programming Language :: Python
Classifier:	Programming Language :: Python :: 3
Classifier:	Programming Language :: Python :: 3.10
Classifier:	Programming Language :: Python :: 3.11
Classifier:	Programming Language :: Python :: 3.12
Classifier:	Intended Audience :: Science/Research
Classifier:	License :: OSI Approved :: MIT License
Classifier:	Natural Language :: English
Classifier:	Development Status :: 3 - Alpha
Requires-Python:	>=3.10
Requires-Dist:	numpy
Requires-Dist:	pandas
Requires-Dist:	pillow
Requires-Dist:	mogli
Requires-Dist:	reportlab
Requires-Dist:	cclib
Requires-Dist:	sphinx; extra == "docs"
Requires-Dist:	sphinxcontrib-contentui; extra == "docs"
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Requires-Dist:	furo; extra == "docs"
Requires-Dist:	markupsafe (<2.1); extra == "docs"
Requires-Dist:	pandas; extra == "docs"
Requires-Dist:	numpy; extra == "docs"
Requires-Dist:	sphinx-rtd-theme; extra == "docs"
Requires-Dist:	pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist:	pylint (~=2.15.10); extra == "pre-commit"
Requires-Dist:	pgtest (~=1.3.1); extra == "testing"
Requires-Dist:	wheel (~=0.31); extra == "testing"
Requires-Dist:	coverage; extra == "testing"
Requires-Dist:	pytest (~=6.0); extra == "testing"
Requires-Dist:	pytest-cov; extra == "testing"
Requires-Dist:	pytest-regressions (~=2.3); extra == "testing"
Requires-Dist:	coveralls; extra == "testing"
Provides-Extra:	docs
Provides-Extra:	pre-commit
Provides-Extra:	testing
Description-Content-Type:	text/markdown

[Description omitted; length: 998 characters]

WHEEL

Wheel-Version:	1.0
Generator:	flit 3.9.0
Root-Is-Purelib:	true
Tag:	py3-none-any

RECORD

Path	Digest	Size
compchem_si/__init__.py	sha256=X80LBjws9GVOFlyfLGg5agR07M1BmUW8tCkjqNOosj8	132
compchem_si/si_generation.py	sha256=BKMeb_xiN6bFOWnu8V-8spLV0d4ARJeg7MCHmf8J8T4	6130
compchem_si-0.1.0.dist-info/LICENSE	sha256=grRtjAzw4SucpgHfNsSxuAt-SM4BNtDREemuPpNDh-g	1099
compchem_si-0.1.0.dist-info/WHEEL	sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4	81
compchem_si-0.1.0.dist-info/METADATA	sha256=l15YL1CLhT9bKJJPy_w5AR-CaZQQX6ESbF2BjNU992g	2867
compchem_si-0.1.0.dist-info/RECORD	—	—