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aiida-cp2k

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2.0.0 aiida_cp2k-2.0.0-py3-none-any.whl

Wheel Details

Project: aiida-cp2k
Version: 2.0.0
Filename: aiida_cp2k-2.0.0-py3-none-any.whl
Download: [link]
Size: 27309
MD5: e55cb53b3fb0bfb0805288369b41d8be
SHA256: 670ad3c61359c9f98aaece9c6bcef25c66db4049c3625f295d8944eeb19d1179
Uploaded: 2023-03-06 23:08:09 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-cp2k
Version: 2.0.0
Summary: The official AiiDA plugin for CP2K.
Author: The AiiDA team
Project-Url: Homepage, https://github.com/aiidateam/aiida-cp2k
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 :: 3
Requires-Python: >=3.8
Requires-Dist: aiida-core (<3.0.0,>=2.0.0)
Requires-Dist: aiida-gaussian-datatypes
Requires-Dist: ase
Requires-Dist: ruamel.yaml (>=0.16.5)
Requires-Dist: cp2k-output-tools
Requires-Dist: bumpver (==2022.1119); extra == "dev"
Requires-Dist: pgtest (~=1.3); extra == "dev"
Requires-Dist: pytest (~=6.0); extra == "dev"
Requires-Dist: pytest-cov (~=2.11.1); extra == "dev"
Requires-Dist: coverage; extra == "dev"
Requires-Dist: pre-commit (~=2.19); extra == "dev"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive; extra == "docs"
Provides-Extra: dev
Provides-Extra: docs
Description-Content-Type: text/markdown
[Description omitted; length: 2734 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.8.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
aiida_cp2k/__init__.py sha256=1K1DV-T4H6QNidXFnX9sIVwKdm653jEPZx97GUtQsyQ 552
aiida_cp2k/calculations/__init__.py sha256=Obp2791DC6rhUgFFK7rN-q-d7lo5BdYwhD4s3dSc4_o 14469
aiida_cp2k/parsers/__init__.py sha256=ATY1WDiLbEX8FsjZEkRImuwhUklLtnf8bSBfW4fOUgs 7886
aiida_cp2k/utils/__init__.py sha256=HCbkMUW_UlmKn14FkpaaB00dXMoLQs-MX2kxIx-SJnI 1298
aiida_cp2k/utils/datatype_helpers.py sha256=hQiDNZPsAWNf2Yz0h0yKqAdPLqJZgfL9YYq2P1goWBg 15750
aiida_cp2k/utils/input_generator.py sha256=Py1-vioZzS8IfQZIfn3ziXAS5KVOG5NPAkdhZLg2Fjg 8206
aiida_cp2k/utils/parser.py sha256=YXKldTVG3px4zA-RCZpaswQ_A6ZBZeAnSdBVXfLp-WQ 18883
aiida_cp2k/utils/workchains.py sha256=Vu8BrA86SwHcU3SOhmoVHsJSMay4-yxBhOYTb6dicEk 6488
aiida_cp2k/workchains/__init__.py sha256=wm1ulpU142AXM__ogbfWVXQ2SrPvEil8GNOo60jlfSU 578
aiida_cp2k/workchains/base.py sha256=oJZduyjc4XYIytA7XXQTbIodtbEGkF-XZ4Yd_RfEVcc 4451
aiida_cp2k-2.0.0.dist-info/entry_points.txt sha256=yeiDdpH2iqAWRB0Q1HYi5nGlxFE3blHp2U9dFEgP2FU 316
aiida_cp2k-2.0.0.dist-info/LICENSE.txt sha256=eeKGEpkuhQAlgVWsBbxwtTmdEyTViQK7X8aEhSTGosQ 1080
aiida_cp2k-2.0.0.dist-info/WHEEL sha256=rSgq_JpHF9fHR1lx53qwg_1-2LypZE_qmcuXbVUq948 81
aiida_cp2k-2.0.0.dist-info/METADATA sha256=AcPg25iAPy0DEOvXoZCuNuOy3Mu673OnnWhkSmjTCgk 3965
aiida_cp2k-2.0.0.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
cp2k = aiida_cp2k.calculations:Cp2kCalculation
[aiida.parsers]
cp2k_advanced_parser = aiida_cp2k.parsers:Cp2kAdvancedParser
cp2k_base_parser = aiida_cp2k.parsers:Cp2kBaseParser
cp2k_tools_parser = aiida_cp2k.parsers:Cp2kToolsParser
[aiida.workflows]
cp2k.base = aiida_cp2k.workchains:Cp2kBaseWorkChain