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2.2.1 abics-2.2.1-py3-none-any.whl

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Project: abics
Version: 2.2.1
Filename: abics-2.2.1-py3-none-any.whl
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Size: 141724
MD5: 09a960f4da3119c56c1616fb7d7f7e66
SHA256: 19521a31013a5aae2a5e74011d00664c03cc95160231dfe9716bf57c98dbc884
Uploaded: 2024-12-06 05:37:06 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: abics
Version: 2.2.1
Summary: ab-Initio Configuration Sampling tool kit
Author: abICS developers
Author-Email: abics-dev[at]issp.u-tokyo.ac.jp
Home-Page: https://github.com/issp-center-dev/abICS
Project-Url: Repository, https://github.com/issp-center-dev/abICS
License: GPL-3.0-or-later
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Programming Language :: Python :: 3
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: Programming Language :: Python :: 3.13
Requires-Python: >=3.9,<4.0
Requires-Dist: mpi4py (<4,>=3)
Requires-Dist: nequip (>=0.5.6); extra == "nequip"
Requires-Dist: numpy (<2.0,>=1.20)
Requires-Dist: pymatgen (>=2022.1.20)
Requires-Dist: qe_tools (<2.0,>=1.1)
Requires-Dist: scipy (<2,>=1)
Requires-Dist: toml (>=0.10)
Provides-Extra: nequip
Description-Content-Type: text/markdown
[Description omitted; length: 3391 characters]

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entry_points.txt

[console_scripts]
abicsRXsepT = abics.scripts.abicsRXsepT:main
abics_mlref = abics.scripts.activelearn:main
abics_postproc = abics.scripts.postproc:main
abics_sampling = abics.scripts.main:main
abics_train = abics.scripts.train:main
st2abics = abics.scripts.st2abics_config:main