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aiida-nwchem

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3.0.1 aiida_nwchem-3.0.1-py3-none-any.whl

Wheel Details

Project: aiida-nwchem
Version: 3.0.1
Filename: aiida_nwchem-3.0.1-py3-none-any.whl
Download: [link]
Size: 16135
MD5: 0ae01490cb54125b438e72e463b33c12
SHA256: e25c2bc9075a0fa95d531e50884ceca1416cbfa836dd08ddfe7cee2316e70d30
Uploaded: 2023-08-22 10:00:18 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-nwchem
Version: 3.0.1
Summary: The official AiiDA plugin for NWChem
Author-Email: The AiiDA team <developers[at]aiida.net>
Project-Url: Source, https://github.com/aiidateam/aiida-nwchem
Keywords: aiida,workflows,nwchem
Classifier: Development Status :: 4 - Beta
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[atomic_tools] (~=2.0)
Requires-Dist: numpy
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinxcontrib-napoleon; extra == "docs"
Requires-Dist: pre-commit (~=2.17); extra == "pre-commit"
Requires-Dist: pgtest (~=1.3); extra == "tests"
Requires-Dist: pytest (~=6.2); extra == "tests"
Requires-Dist: pytest-regressions (~=1.0); extra == "tests"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 5507 characters]

WHEEL

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

RECORD

Path Digest Size
aiida_nwchem/__init__.py sha256=glSKZeRO-SEZOcnAWJJUBAOUlOvHcrg2GjoZK3_ewNs 89
aiida_nwchem/calculations/__init__.py sha256=XVIwFH5ayYS7v8E4KNDvfy5Yws9ww8vG674idpXqIZI 84
aiida_nwchem/calculations/nwchem.py sha256=-GS-nLg1NgjSO2mP8qPkGBmst5NrU6XoZCzsSPqhw_c 11975
aiida_nwchem/parsers/__init__.py sha256=Kj47jB8QmZrewmo_OIbO_vyMYGD0ad1SNoD_-vYDm48 3024
aiida_nwchem/parsers/nwchem.py sha256=bAVkl6QpdvWpn4JlAGTjheaiB9ixmcxEyAAkAYjlNs0 24806
aiida_nwchem/workflows/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_nwchem/workflows/base.py sha256=U0bJ2TqFmeM52nNhjQjtrf6PCzc0Pr4Kg-jxCVHwzIw 1262
aiida_nwchem-3.0.1.dist-info/entry_points.txt sha256=4Yrrk1Mctuyxi1-e3posdxKKGtgZP997WLwejOCNLQQ 309
aiida_nwchem-3.0.1.dist-info/LICENSE.txt sha256=ye6mTGt8M-HRTWINIx3q2VWEhRO6NDHozNSVB4Dgaps 1082
aiida_nwchem-3.0.1.dist-info/WHEEL sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4 81
aiida_nwchem-3.0.1.dist-info/METADATA sha256=7O868vn06JmUtxmQGF2F072xnu1pU4TNY8Nb-Mep9n4 6890
aiida_nwchem-3.0.1.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
nwchem.base = aiida_nwchem.calculations.nwchem:NwchemBaseCalculation
nwchem.nwchem = aiida_nwchem.calculations.nwchem:NwchemCalculation
[aiida.parsers]
nwchem.nwchem = aiida_nwchem.parsers.nwchem:NwchemBaseParser
[aiida.workflows]
nwchem.base = aiida_nwchem.workflows.base:NwchemBaseWorkChain