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atomate2-turbomole

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0.3 atomate2_turbomole-0.3-py3-none-any.whl

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Project: atomate2-turbomole
Version: 0.3
Filename: atomate2_turbomole-0.3-py3-none-any.whl
Download: [link]
Size: 21944
MD5: b1777c14446d1bd42604995371211415
SHA256: b9ca360f6da0c6c898a5e48a39038c07aaae051f7ff255f7767d657344bdfd6f
Uploaded: 2024-09-12 14:32:37 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: atomate2-turbomole
Version: 0.3
Summary: The atomate2-turbomole package is a workflow package for Turbomole
Author-Email: David Waroquiers <david.waroquiers[at]matgenix.com>
License: modified BSD
Keywords: high-throughput,automated,workflow,dft,ab initio,turbomole
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: System Administrators
Classifier: Intended Audience :: Information Technology
Classifier: Operating System :: OS Independent
Classifier: Topic :: Other/Nonlisted Topic
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.9
Requires-Dist: pymatgen (>=2022.2.10)
Requires-Dist: custodian (>=2024.3.12)
Requires-Dist: jobflow (>=0.1.11)
Requires-Dist: emmet-core (>=0.80.0)
Requires-Dist: pydantic-settings (!=2.5.0,!=2.5.1,>=2.2)
Requires-Dist: turbomoleio (==1.6.0)
Requires-Dist: pre-commit (>=2.12.1); extra == "dev"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-design; extra == "docs"
Requires-Dist: pydata-sphinx-theme; extra == "docs"
Requires-Dist: sphinx-copybutton; extra == "docs"
Requires-Dist: autodoc-pydantic (>=2.0.0); extra == "docs"
Requires-Dist: sphinxcontrib-mermaid; extra == "docs"
Requires-Dist: autodoc-pydantic[erdantic] (>=2.0.0); extra == "docs-erdantic"
Requires-Dist: pytest (==8.3.3); extra == "tests"
Requires-Dist: pytest-cov (==5.0.0); extra == "tests"
Requires-Dist: pytest-mock (==3.14.0); extra == "tests"
Requires-Dist: mongomock (==4.1.2); extra == "tests"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: docs_erdantic
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3976 characters]

WHEEL

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Tag: py3-none-any

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atomate2_turbomole-0.3.dist-info/RECORD — —

top_level.txt

atomate2