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aiida-orca

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0.7.0 aiida_orca-0.7.0-py3-none-any.whl

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Project: aiida-orca
Version: 0.7.0
Filename: aiida_orca-0.7.0-py3-none-any.whl
Download: [link]
Size: 50288
MD5: 1c7b16ac887ba08a00cea62aaddacc94
SHA256: d36bc5606fe131d98f00ede4b854448606b2bfcee357ab500b48cfe09798fccc
Uploaded: 2023-05-21 21:53:04 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida_orca
Version: 0.7.0
Summary: AiiDA-Orca plugin
Author-Email: Pezhman Zarabadi-Poor <pzarabadip[at]gmail.com>, Daniel Hollas <danekhollas[at]gmail.com>
Project-Url: Home, https://github.com/pzarabadip/aiida-orca
Keywords: aiida,orca
Classifier: Development Status :: 5 - Production/Stable
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.8
Requires-Dist: aiida_core (<3.0.0,>=1.6.0)
Requires-Dist: ase
Requires-Dist: periodictable
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
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Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: mypy (<1.0.0,>=0.930); extra == "pre-commit"
Requires-Dist: pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist: yapf (==0.28.0); extra == "pre-commit"
Requires-Dist: pylint (==2.11.1); extra == "pre-commit"
Requires-Dist: pgtest (==1.2.0); extra == "test"
Requires-Dist: pytest (~=6.0); extra == "test"
Requires-Dist: pytest-cov (~=4.0); extra == "test"
Requires-Dist: pytest-regressions (~=2.3); extra == "test"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: test
Description-Content-Type: text/markdown
[Description omitted; length: 5046 characters]

WHEEL

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

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aiida_orca/workchains/base.py sha256=DLFtUx8KyRZIkmmq7PVPyK7Qqumlpf0BDIl9LraQYAg 3377
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aiida_orca-0.7.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
orca.asa = aiida_orca.calculations:OrcaAsaCalculation
orca.orca = aiida_orca.calculations:OrcaCalculation
[aiida.parsers]
orca_base_parser = aiida_orca.parsers:OrcaBaseParser
[aiida.workflows]
orca.base = aiida_orca.workchains:OrcaBaseWorkChain