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0.0.2 asimtools-0.0.2-py3-none-any.whl

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Project: asimtools
Version: 0.0.2
Filename: asimtools-0.0.2-py3-none-any.whl
Download: [link]
Size: 71929
MD5: f014b1dd924f7af9583400aa2cad6269
SHA256: 91c8c8e9727ebe70e28b79cd7c5b4be75f191a7a371afc54a5d268110aa72b6c
Uploaded: 2024-10-18 17:24:53 +0000

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METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: asimtools
Version: 0.0.2
Summary: A lightweight python package for managing and running atomic simulation workflows
Author-Email: Keith Phuthi <mkphuthi[at]gmail.com>
Maintainer-Email: Keith Phuthi <mkphuthi[at]gmail.com>
Project-Url: repository, https://github.com/BattModels/asimtools
Project-Url: issues, https://github.com/BattModels/asimtools/issues
Project-Url: documentation, https://battmodels.github.io/asimtools/
License: MIT
Keywords: high-throughput,workflow,atomistic,simulation
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering
Classifier: Intended Audience :: Science/Research
Classifier: Development Status :: 4 - Beta
Classifier: Operating System :: MacOS
Classifier: Operating System :: Unix
Requires-Python: >=3.9
Requires-Dist: pandas
Requires-Dist: pyyaml
Requires-Dist: pymatgen
Requires-Dist: ase (>=3.22.1)
Requires-Dist: colorama
Requires-Dist: mp-api
Requires-Dist: asimtools[docs,phonons,tests]; extra == "dev"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: myst-parser; extra == "docs"
Requires-Dist: matgl (>=1.1.2); extra == "mlip"
Requires-Dist: chgnet (>=0.3.3); extra == "mlip"
Requires-Dist: mace-torch (>=0.3.3); extra == "mlip"
Requires-Dist: phonopy (>=2.20.0); extra == "phonons"
Requires-Dist: seekpath (>=2.1.0); extra == "phonons"
Requires-Dist: pytest (>=7.4.0); extra == "tests"
Requires-Dist: pytest-cov (>=3.0.0); extra == "tests"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: mlip
Provides-Extra: phonons
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 7666 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.2.0)
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Tag: py3-none-any

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asimtools-0.0.2.dist-info/RECORD — —

top_level.txt

asimtools

entry_points.txt

[console_scripts]
asim-check = asimtools.scripts.asim_check:main
asim-execute = asimtools.scripts.asim_execute:main
asim-run = asimtools.scripts.asim_run:main