blackfish

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0.3.12 blackfish-0.3.12-cp312-cp312-macosx_11_0_arm64.whl

Wheel Details

Project: blackfish
Version: 0.3.12
Filename: blackfish-0.3.12-cp312-cp312-macosx_11_0_arm64.whl
Download: [link]
Size: 4182812
MD5: a900493c438d3889a2efe863e83769e2
SHA256: 08ab6fea2ba11d8419e2d96739a8515fc514a93d321b3830bc27b1f9b3ce3f7d
Uploaded: 2025-02-24 20:06:17 +0000

dist-info

METADATA

Metadata-Version: 2.4
Name: blackfish
Version: 0.3.12
Summary: ORCA quantum chemistry data parser
Author-Email: Frederik Scherz <frederik.scherz[at]gmail.de>
Project-Url: repository, https://codeberg.org/crabby/blackfish
License: Apache-2.0
Requires-Python: >=3.12
Requires-Dist: altair (>=5.5.0)
Requires-Dist: marimo (>=0.10.9)
Requires-Dist: maturin (<2.0,>=1.0)
Requires-Dist: numpy (>=2.2.1)
Requires-Dist: polars (>=1.18.0)
Requires-Dist: pytest (>=8.3.4)
Requires-Dist: scipy (>=1.14.1)
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
License-File: LICENSE
[Description omitted; length: 4256 characters]

WHEEL

Wheel-Version: 1.0
Generator: maturin (1.8.2)
Root-Is-Purelib: false
Tag: cp312-cp312-macosx_11_0_arm64

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