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0.12.0b1 python_autojob-0.12.0b1-py3-none-any.whl

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Project: python-autojob
Version: 0.12.0b1
Filename: python_autojob-0.12.0b1-py3-none-any.whl
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MD5: 81253402f3fd36b60e04641cb3862ac7
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Uploaded: 2024-08-22 01:17:58 +0000

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METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.3
Name: python-autojob
Version: 0.12.0b1
Summary: tools for automating job creation and management for DFT calculations
Author-Email: Ugochukwu Nwosu <ugognw[at]gmail.com>
Project-Url: Changelog, https://gitlab.com/ugognw/python-autojob/-/blob/main/CHANGELOG.rst
Project-Url: Documentation, https://python-autojob.readthedocs.io/
Project-Url: Issues, https://gitlab.com/ugognw/python-autojob/-/issues
Project-Url: Source, https://gitlab.com/ugognw/python-autojob
Keywords: automation,dft,hpc,matter modeling
Classifier: Development Status :: 3 - Alpha
Classifier: Framework :: Sphinx
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.10
Requires-Dist: ase (>=3.23.0)
Requires-Dist: cclib (>=1.8.0)
Requires-Dist: click (>=8.1.3)
Requires-Dist: comp-chem-utils (>=0.0.5)
Requires-Dist: emmet-core (>=0.68.0)
Requires-Dist: jinja2 (>=3.1.2)
Requires-Dist: monty (>=2022.4.26)
Requires-Dist: numpy (<2.0.0,>=1.23.1)
Requires-Dist: pydantic-settings (>=2.0)
Requires-Dist: pydantic (>=2.5.0)
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Requires-Dist: pytest-xdist (>=3.5.0); extra == "test"
Requires-Dist: pytest (>=7.4.3); extra == "test"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: test
Description-Content-Type: text/x-rst
License-File: AUTHORS.rst
License-File: LICENSE
[Description omitted; length: 1137 characters]

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entry_points.txt

[console_scripts]
autojob = autojob.cli.main:main
restart-relaxation = autojob.cli.restart_relaxation:main
run-vibration = autojob.cli.run_vibration:main