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aiida-cp2k

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2.1.1 aiida_cp2k-2.1.1-py3-none-any.whl

Wheel Details

Project: aiida-cp2k
Version: 2.1.1
Filename: aiida_cp2k-2.1.1-py3-none-any.whl
Download: [link]
Size: 31594
MD5: c4aee6838a7416b9379a12ffeaeca2ed
SHA256: 1307fea49c919dbabf1e7678e0a82c3af419040a50d62f9213a98a5993d048a1
Uploaded: 2025-02-04 11:39:51 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.3
Name: aiida-cp2k
Version: 2.1.1
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: >=3.9
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: aiida-pseudo (~=1.2)
Requires-Dist: upf-to-json (>=0.9)
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 (~=3.6); 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: 3553 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.10.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
aiida_cp2k/__init__.py sha256=lePM1ynp1w5fsZebDfEHKJaEuUi3t6v9GVogsRvq8Jo 552
aiida_cp2k/calculations/__init__.py sha256=8vvfYJbr74IX5g8TlJittv9plz6QR8aM8AmWIU9_nZs 18911
aiida_cp2k/parsers/__init__.py sha256=-XG7iVHcvvbwDOR3cUjeK2HFgFl-aUC0dKj3clJELR8 12104
aiida_cp2k/utils/__init__.py sha256=nuFJkKYstAfT6L1KllqQlOiZ4D9hMbcWrCq20KpT9O0 1809
aiida_cp2k/utils/datatype_helpers.py sha256=nRX2b6EJINumhAyHvVaDEVuyOHpQF6Wd5zBdbUqkC_0 17815
aiida_cp2k/utils/input_generator.py sha256=AWfMdjs-lY805tx9WZbW0IqmZfjgfHjAmQOd4vM--H8 9469
aiida_cp2k/utils/parser.py sha256=Os2gPMU2HeURZ9LvhD70p38JFvsX74IFfBLTiIJZ1F0 19343
aiida_cp2k/utils/workchains.py sha256=cwgFy6PorVxeSKx_qYasS1mc5_L5dEtt6wWzSa7EoMo 7292
aiida_cp2k/workchains/__init__.py sha256=wm1ulpU142AXM__ogbfWVXQ2SrPvEil8GNOo60jlfSU 578
aiida_cp2k/workchains/base.py sha256=v-sKCiLKQy-7EpSFyRCmU2X2QhGhH4R_bmSSXmMGKIE 7467
aiida_cp2k-2.1.1.dist-info/entry_points.txt sha256=yeiDdpH2iqAWRB0Q1HYi5nGlxFE3blHp2U9dFEgP2FU 316
aiida_cp2k-2.1.1.dist-info/LICENSE.txt sha256=eeKGEpkuhQAlgVWsBbxwtTmdEyTViQK7X8aEhSTGosQ 1080
aiida_cp2k-2.1.1.dist-info/WHEEL sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI 82
aiida_cp2k-2.1.1.dist-info/METADATA sha256=gkSRFoS26g1IeGSznArMAt22hw3kVp17221le2EO5pc 4848
aiida_cp2k-2.1.1.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