aiida-gaussian-datatypes

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0.5.0 aiida_gaussian_datatypes-0.5.0-py3-none-any.whl

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Project: aiida-gaussian-datatypes
Version: 0.5.0
Filename: aiida_gaussian_datatypes-0.5.0-py3-none-any.whl
Download: [link]
Size: 24735
MD5: 41e63d21018b59e04dfa957a34cdd8d3
SHA256: a479f2062bbd18d09538faa770511dbbbd57f644b9803d739f4f6cb4f345e1e6
Uploaded: 2021-10-10 15:58:57 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: aiida-gaussian-datatypes
Version: 0.5.0
Summary: AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens
Author: Tiziano Müller
Author-Email: tiziano.mueller[at]chem.uzh.ch
Home-Page: https://github.com/dev-zero/aiida-gaussian-datatypes
License: MIT License
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Classifier: Framework :: AiiDA
Requires-Dist: aiida-core (>=1.6.2)
Requires-Dist: cp2k-input-tools (>=0.8.0)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-click (>=2.2.0); extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive; python_version >= "3.0" and extra == "docs"
Requires-Dist: pre-commit (>=2.0.1); extra == "pre-commit"
Requires-Dist: pytest (>=6.0); extra == "testing"
Requires-Dist: pytest-cov; extra == "testing"
Requires-Dist: codecov (>=2.0.15); extra == "testing"
Requires-Dist: pgtest (>=1.3.1,~=1.3); extra == "testing"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: AUTHORS.txt
[Description omitted; length: 6379 characters]

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aiida_gaussian_datatypes-0.5.0.dist-info/RECORD

top_level.txt

aiida_gaussian_datatypes
tests

entry_points.txt

gaussian.basisset = aiida_gaussian_datatypes.basisset.cli:cli
gaussian.pseudo = aiida_gaussian_datatypes.pseudopotential.cli:cli
gaussian.basisset = aiida_gaussian_datatypes.basisset.data:BasisSet
gaussian.pseudo = aiida_gaussian_datatypes.pseudopotential.data:Pseudopotential
gaussian.basisset = aiida_gaussian_datatypes.groups:BasisSetGroup
gaussian.pseudo = aiida_gaussian_datatypes.groups:PseudopotentialGroup