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aiida-common-workflows

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Project: aiida-common-workflows
Version: 1.0.1
Filename: aiida_common_workflows-1.0.1-py3-none-any.whl
Download: [link]
Size: 440093
MD5: 89716d8b5ad1f94f44c3147df2e5206d
SHA256: e6db6d99ab81aceb471a79dd22e7534f146ac06ee13b44788bc0419253996e9c
Uploaded: 2023-09-16 12:34:26 +0000

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METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-common-workflows
Version: 1.0.1
Summary: Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines.
Author-Email: The AiiDA team <developers[at]aiida.net>
Project-Url: Documentation, https://aiida-common-workflows.readthedocs.io
Project-Url: Home, https://github.com/aiidateam/aiida-common-workflows
Project-Url: Source, https://github.com/aiidateam/aiida-common-workflows
Keywords: aiida,workflows
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
Requires-Python: >=3.8,<3.10
Requires-Dist: abipy (==0.9.6)
Requires-Dist: aiida-abinit (~=0.4.0)
Requires-Dist: aiida-bigdft (>=0.2.6)
Requires-Dist: aiida-castep (>=1.2.0a5)
Requires-Dist: aiida-core[atomic_tools] (~=1.6)
Requires-Dist: aiida-cp2k (~=1.6)
Requires-Dist: aiida-fleur (>=1.3.0)
Requires-Dist: aiida-gaussian
Requires-Dist: aiida-nwchem (>=2.1.0)
Requires-Dist: aiida-orca
Requires-Dist: aiida-pseudo (==0.6.5)
Requires-Dist: aiida-quantumespresso (>=3.4.1,~=3.4)
Requires-Dist: aiida-siesta (>=1.2.0)
Requires-Dist: aiida-vasp (~=2.2)
Requires-Dist: aiida-wien2k (~=0.1.1)
Requires-Dist: aiida-ase
Requires-Dist: pymatgen (>=2022.1.20)
Requires-Dist: numpy (<1.24.0)
Requires-Dist: sqlalchemy (<1.4)
Requires-Dist: ase (!=3.20.*)
Requires-Dist: pint (~=0.16)
Requires-Dist: masci-tools (~=0.9)
Requires-Dist: docutils (~=0.15.2); extra == "docs"
Requires-Dist: pygments (~=2.5); extra == "docs"
Requires-Dist: pydata-sphinx-theme (~=0.4.0); extra == "docs"
Requires-Dist: sphinx (~=3.2); extra == "docs"
Requires-Dist: sphinx-panels (~=0.5.0); extra == "docs"
Requires-Dist: sphinxcontrib-details-directive (~=0.1.0); extra == "docs"
Requires-Dist: sphinx-copybutton (~=0.3.0); extra == "docs"
Requires-Dist: pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist: pylint (~=2.5.2); extra == "pre-commit"
Requires-Dist: pytest (~=7.2); extra == "tests"
Requires-Dist: pgtest (>=1.3.1,~=1.3); 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: 3366 characters]

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aiida_common_workflows-1.0.1.dist-info/RECORD — —

entry_points.txt

[aiida.workflows]
common_workflows.bands.siesta = aiida_common_workflows.workflows.bands.siesta.workchain:SiestaCommonBandsWorkChain
common_workflows.dissociation_curve = aiida_common_workflows.workflows.dissociation:DissociationCurveWorkChain
common_workflows.eos = aiida_common_workflows.workflows.eos:EquationOfStateWorkChain
common_workflows.relax.abinit = aiida_common_workflows.workflows.relax.abinit.workchain:AbinitCommonRelaxWorkChain
common_workflows.relax.bigdft = aiida_common_workflows.workflows.relax.bigdft.workchain:BigDftCommonRelaxWorkChain
common_workflows.relax.castep = aiida_common_workflows.workflows.relax.castep.workchain:CastepCommonRelaxWorkChain
common_workflows.relax.cp2k = aiida_common_workflows.workflows.relax.cp2k.workchain:Cp2kCommonRelaxWorkChain
common_workflows.relax.fleur = aiida_common_workflows.workflows.relax.fleur.workchain:FleurCommonRelaxWorkChain
common_workflows.relax.gaussian = aiida_common_workflows.workflows.relax.gaussian.workchain:GaussianCommonRelaxWorkChain
common_workflows.relax.gpaw = aiida_common_workflows.workflows.relax.gpaw.workchain:GpawCommonRelaxWorkChain
common_workflows.relax.nwchem = aiida_common_workflows.workflows.relax.nwchem.workchain:NwchemCommonRelaxWorkChain
common_workflows.relax.orca = aiida_common_workflows.workflows.relax.orca.workchain:OrcaCommonRelaxWorkChain
common_workflows.relax.quantum_espresso = aiida_common_workflows.workflows.relax.quantum_espresso.workchain:QuantumEspressoCommonRelaxWorkChain
common_workflows.relax.siesta = aiida_common_workflows.workflows.relax.siesta.workchain:SiestaCommonRelaxWorkChain
common_workflows.relax.vasp = aiida_common_workflows.workflows.relax.vasp.workchain:VaspCommonRelaxWorkChain
common_workflows.relax.wien2k = aiida_common_workflows.workflows.relax.wien2k.workchain:Wien2kCommonRelaxWorkChain
[console_scripts]
acwf = aiida_common_workflows.cli:cmd_root
aiida-common-workflows = aiida_common_workflows.cli:cmd_root