custodian

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2024.6.24 custodian-2024.6.24-py3-none-any.whl

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Project: custodian
Version: 2024.6.24
Filename: custodian-2024.6.24-py3-none-any.whl
Download: [link]
Size: 120070
MD5: 37d554890e22ad31b6098f8f72eb589c
SHA256: 5507a08902d1332af592654b73151ba59780c012df98df022f1896e9cb3de167
Uploaded: 2024-06-24 21:45:58 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: custodian
Version: 2024.6.24
Summary: A simple JIT job management framework in Python.
Author: Matthew Horton, Samuel M. Blau, Stephen Dacek, William Davidson Richards, Xiaohui Qu
Author-Email: Janosh Riebesell <janosh.riebesell[at]gmail.com>, Shyue Ping Ong <ongsp[at]ucsd.edu>
Maintainer: Janosh Riebesell, Shyue Ping Ong
Project-Url: Docs, https://materialsproject.github.io/custodian
Project-Url: Repo, https://github.com/materialsproject/custodian
Project-Url: Package, https://pypi.org/project/custodian
License: The MIT License (MIT) Copyright (c) 2011-2012 MIT & LBNL Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Keywords: jit,job,just-in-time,management,vasp
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9
Requires-Dist: monty (>=2.0.6)
Requires-Dist: psutil
Requires-Dist: ruamel.yaml (>=0.15.6)
Requires-Dist: pymatgen; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: sentry-sdk (>=0.8.0); extra == "error-statistics"
Requires-Dist: pymatgen; extra == "gaussian"
Requires-Dist: matplotlib; extra == "gaussian"
Requires-Dist: mypy; extra == "lint"
Requires-Dist: pre-commit; extra == "lint"
Requires-Dist: ruff; extra == "lint"
Requires-Dist: pymatgen; extra == "nwchem"
Requires-Dist: pymatgen; extra == "qchem"
Requires-Dist: pymatgen; extra == "vasp"
Provides-Extra: dev
Provides-Extra: error-statistics
Provides-Extra: gaussian
Provides-Extra: lint
Provides-Extra: nwchem
Provides-Extra: qchem
Provides-Extra: vasp
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4919 characters]

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top_level.txt

custodian

entry_points.txt

converge_geometry = custodian.cli.converge_geometry:main
converge_kpoints = custodian.cli.converge_kpoints:main
cstdn = custodian.cli.cstdn:main
run_nwchem = custodian.cli.run_nwchem:main
run_vasp = custodian.cli.run_vasp:main