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1.34.0 molcas_suite-1.34.0-py3-none-any.whl

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Project: molcas-suite
Version: 1.34.0
Filename: molcas_suite-1.34.0-py3-none-any.whl
Download: [link]
Size: 62595
MD5: 1dfed3a1171bfc5f98023c09cacff284
SHA256: b70c98e4cac4eab6cd30969384cf2df3470d067dfcb4bfe6d2a11af1cc479e32
Uploaded: 2025-03-18 17:50:51 +0000

dist-info

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

METADATA

Metadata-Version: 2.2
Name: molcas_suite
Version: 1.34.0
Summary: A package for dealing with OpenMOLCAS input and output files
Author: Chilton Group
Author-Email: nicholas.chilton[at]manchester.ac.uk
Home-Page: https://gitlab.com/chilton-group/molcas_suite
Project-Url: Bug Tracker, https://gitlab.com/chilton-group/molcas_suite/-/issues
Project-Url: Documentation, https://chilton-group.gitlab.io/molcas_suite
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: h5py
Requires-Dist: xyz_py (>=5.11.0)
Requires-Dist: angmom_suite (>=1.18.0)
Requires-Dist: hpc_suite (>=1.8.0)
Requires-Dist: matplotlib
Requires-Dist: pandas
Description-Content-Type: text/markdown
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: project-url
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary
License-File: LICENSE
[Description omitted; length: 2952 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (76.1.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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molcas_suite/__version__.py sha256=N9iBc6kFg8Am5sQ4qqtf9ePOtBbWeJUu_Hk0j-sSRaA 107
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molcas_suite/cfp.py sha256=r1qg9fB9UkhoywC2FeU-iOzZkVh7-gwXCEcomDHXCbQ 1440
molcas_suite/cli.py sha256=zMXnxR2KXsYQR2uc4EnP-g7Gn8LOguMaEucnxhxCe-Y 33795
molcas_suite/extractor.py sha256=WwK2vHIk6Fs2a2WHmUDZe3rrMktLutF37SjOonSN65Y 34861
molcas_suite/generate_input.py sha256=DmS6UuM8oB5qTtUq5teuqV_HdpbnjUmzdjvCYdshigM 18445
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molcas_suite/h5tools.py sha256=MgiPxXpUXqYT21ncPz5hi07DGdoB69W65dM7QMjf4wM 6412
molcas_suite/optics.py sha256=RE5zwFRyZsLONpb13wZT8VEOl3vdmO5sY1VyOrsCvMo 24724
molcas_suite/orbs.py sha256=MIbiWfjSdh6hiIuORKfeATbU7_1dRdmJ1jrKDmjYuWs 27067
molcas_suite-1.34.0.dist-info/LICENSE sha256=8Qt6ttdTzPf7wDSos2lFRAkJfKi9xBkcE4Bx2oYcfeU 35072
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molcas_suite-1.34.0.dist-info/RECORD — —

top_level.txt

molcas_suite

entry_points.txt

[console_scripts]
molcas_suite = molcas_suite.cli:main