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aiida-workgraph

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0.4.2 aiida_workgraph-0.4.2-py3-none-any.whl
0.3.1 aiida_workgraph-0.3.1-py3-none-any.whl

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Project: aiida-workgraph
Version: 0.3.1
Filename: aiida_workgraph-0.3.1-py3-none-any.whl
Download: [link]
Size: 1086210
MD5: 93a13747f0086394e6d21f50ecab196f
SHA256: 5e7a7615c382461e744e6569dbbb80702a1c25ea202b651950d88bbabe64d7fe
Uploaded: 2024-06-21 06:04:21 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-workgraph
Version: 0.3.1
Summary: Design flexible node-based workflow for AiiDA calculation.
Author-Email: Xing Wang <xingwang1991[at]gmail.com>
Project-Url: Documentation, https://aiida-workgraph.readthedocs.io
Project-Url: Source, https://github.com/superstar54/aiida-workgraph
Keywords: aiida,workflows
Classifier: Development Status :: 1 - Planning
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 :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.9
Requires-Dist: numpy (~=1.21)
Requires-Dist: node-graph (>=0.0.6)
Requires-Dist: anywidget (>=0.9.11)
Requires-Dist: aiida-core (>=2.3)
Requires-Dist: cloudpickle
Requires-Dist: aiida-pseudo
Requires-Dist: aiida-quantumespresso
Requires-Dist: aiida-shell
Requires-Dist: fastapi
Requires-Dist: uvicorn
Requires-Dist: sphinx_rtd_theme; extra == "docs"
Requires-Dist: sphinx (~=7.2); extra == "docs"
Requires-Dist: sphinx-copybutton (~=0.5.0); extra == "docs"
Requires-Dist: sphinx-design (~=0.5.0); extra == "docs"
Requires-Dist: sphinx-notfound-page (~=1.0); extra == "docs"
Requires-Dist: sphinxext-rediraffe (~=0.2.4); extra == "docs"
Requires-Dist: sphinx-intl (~=2.1.0); extra == "docs"
Requires-Dist: myst-nb (~=1.0.0); extra == "docs"
Requires-Dist: nbsphinx; extra == "docs"
Requires-Dist: pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist: pylint (~=2.17.4); extra == "pre-commit"
Requires-Dist: pytest (~=7.0); extra == "tests"
Requires-Dist: pytest-cov (<2.11,~=2.7); extra == "tests"
Requires-Dist: playwright; extra == "tests"
Requires-Dist: httpx; extra == "tests"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 5113 characters]

WHEEL

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entry_points.txt

[aiida.calculations]
workgraph.python = aiida_workgraph.calculations.python:PythonTask
[aiida.cmdline]
workgraph = aiida_workgraph.cli.cmd_workgraph:workgraph
[aiida.data]
ase.atoms.Atoms = aiida_workgraph.orm.atoms:AtomsData
builtins.bool = aiida.orm.nodes.data.bool:Bool
builtins.dict = aiida_workgraph.orm.general_data:Dict
builtins.float = aiida.orm.nodes.data.float:Float
builtins.int = aiida.orm.nodes.data.int:Int
builtins.list = aiida_workgraph.orm.general_data:List
builtins.str = aiida.orm.nodes.data.str:Str
workgraph.general = aiida_workgraph.orm.general_data:GeneralData
[aiida.node]
process.workflow.workgraph = aiida_workgraph.orm.workgraph:WorkgraphNode
[aiida.parsers]
workgraph.python = aiida_workgraph.calculations.python_parser:PythonParser
[aiida_workgraph.property]
aiida = aiida_workgraph.properties.built_in:property_list
[aiida_workgraph.socket]
aiida = aiida_workgraph.sockets.built_in:socket_list
[aiida_workgraph.task]
aiida = aiida_workgraph.tasks:task_list
[console_scripts]
workgraph = aiida_workgraph.cli.cmd_workgraph:workgraph