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2.0.1 aiida_castep-2.0.1-py3-none-any.whl

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Project: aiida-castep
Version: 2.0.1
Filename: aiida_castep-2.0.1-py3-none-any.whl
Download: [link]
Size: 159395
MD5: 87071057025855c5e08e6001f000796f
SHA256: c6955875e2047ce6d943a2758b09c30fa58009eabcfe6aa9f12776402db35090
Uploaded: 2022-05-26 23:07:37 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: aiida-castep
Version: 2.0.1
Summary: AiiDA plugin for CASTEP
Author: Bonan Zhu
Author-Email: zhubonan[at]outlook.com
Home-Page: https://github.com/zhubonan/aiida-castep
License: MIT License
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Framework :: AiiDA
Requires-Dist: aiida-core (~=2.0)
Requires-Dist: deepdiff
Requires-Dist: ase (<4.0,>=3.0)
Requires-Dist: matplotlib
Requires-Dist: six (<2.0,>=1.0)
Requires-Dist: click
Requires-Dist: castepinput (==0.1.6)
Requires-Dist: seekpath (~=1.9.3)
Requires-Dist: castepxbin (~=0.2.0)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive; extra == "docs"
Requires-Dist: furo; extra == "docs"
Requires-Dist: markupsafe (<2.1); extra == "docs"
Requires-Dist: pre-commit (==1.18.3); extra == "pre-commit"
Requires-Dist: yapf (==0.28.0); extra == "pre-commit"
Requires-Dist: prospector (==1.2.0); extra == "pre-commit"
Requires-Dist: pylint-pytest; extra == "pre-commit"
Requires-Dist: pylint (==2.4.4); python_version >= "3.0" and extra == "pre-commit"
Requires-Dist: pytest; extra == "testing"
Requires-Dist: pgtest (>=1.3.1,~=1.3); extra == "testing"
Requires-Dist: pytest-cov; extra == "testing"
Requires-Dist: aiida-pseudo; extra == "testing"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
[Description omitted; length: 4533 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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aiida_castep-2.0.1.dist-info/RECORD — —

top_level.txt

aiida_castep
tests

entry_points.txt

[aiida.calculations]
castep.castep = aiida_castep.calculations.castep:CastepCalculation
castep.ts = aiida_castep.calculations.castep:CastepTSCalculation
[aiida.cmdline.data]
castep-helper = aiida_castep.cmdline.helper_cmd:helper_cmd
castep-pseudos = aiida_castep.cmdline.otfg_cmd:pseudos_cmd
[aiida.data]
castep.otfgdata = aiida_castep.data.otfg:OTFGData
castep.uspdata = aiida_castep.data.usp:UspData
[aiida.groups]
castep.otfg = aiida_castep.data.otfg:OTFGGroup
[aiida.parsers]
castep.castep = aiida_castep.parsers.castep:CastepParser
[aiida.tests]
castep.calculation = aiida_castep.tests.dbtests.dbtestcalculation
[aiida.tools.calculations]
castep.castep = aiida_castep.calculations.tools:CastepCalcTools
[aiida.workflows]
castep.altrelax = aiida_castep.workflows.relax:CastepAlterRelaxWorkChain
castep.bands = aiida_castep.workflows.bands:CastepBandsWorkChain
castep.base = aiida_castep.workflows.base:CastepBaseWorkChain
castep.relax = aiida_castep.workflows.relax:CastepRelaxWorkChain
[console_scripts]
castep.mock = aiida_castep.cmdline.mock_castep:mock_castep