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1.32.4 molcas_suite-1.32.4-py3-none-any.whl

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Project: molcas-suite
Version: 1.32.4
Filename: molcas_suite-1.32.4-py3-none-any.whl
Download: [link]
Size: 54364
MD5: 96041c88ff27e586be1cfe5ec8493edc
SHA256: 945242f48b912e11632c6e7c2a97e75016db138c7a88995805dbf9851dd52498
Uploaded: 2024-11-29 04:03:43 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: molcas_suite
Version: 1.32.4
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
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2952 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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molcas_suite/__version__.py sha256=noRj8OEU8Ypobu63jMpXZlbi4IoFOJ-QY1SYYZdEnvg 107
molcas_suite/barrier.py sha256=qQu57NKdhDB51sFAoVYsUntCQQ2yr0P6-kQhm05_1Cc 6311
molcas_suite/cfp.py sha256=r1qg9fB9UkhoywC2FeU-iOzZkVh7-gwXCEcomDHXCbQ 1440
molcas_suite/cli.py sha256=haiH42wNbGrNeZC3sdxvcE7bATa-LenOV2-YPsEV2aQ 31144
molcas_suite/extractor.py sha256=WwK2vHIk6Fs2a2WHmUDZe3rrMktLutF37SjOonSN65Y 34861
molcas_suite/generate_input.py sha256=DmS6UuM8oB5qTtUq5teuqV_HdpbnjUmzdjvCYdshigM 18445
molcas_suite/generate_job.py sha256=drEDRq41a5C1Y6W2TEO7b0I0wR3fmV5sl7JFP8DAJng 25695
molcas_suite/h5tools.py sha256=MgiPxXpUXqYT21ncPz5hi07DGdoB69W65dM7QMjf4wM 6412
molcas_suite/orbs.py sha256=MIbiWfjSdh6hiIuORKfeATbU7_1dRdmJ1jrKDmjYuWs 27067
molcas_suite-1.32.4.dist-info/LICENSE sha256=8Qt6ttdTzPf7wDSos2lFRAkJfKi9xBkcE4Bx2oYcfeU 35072
molcas_suite-1.32.4.dist-info/METADATA sha256=WbUUY_EBhuKnLr1zQCRyLCxKN1grV1xbzkPu0WtLFa0 3804
molcas_suite-1.32.4.dist-info/WHEEL sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U 91
molcas_suite-1.32.4.dist-info/entry_points.txt sha256=xwPGaWRcxGPtLQ-DLH2_EUCdbwV4rZXYq-q9QNx6uHM 55
molcas_suite-1.32.4.dist-info/top_level.txt sha256=q5_HDVTbwdqyei89g_vRd6Y54CvXI4KwgjUoUl2p0F8 13
molcas_suite-1.32.4.dist-info/RECORD — —

top_level.txt

molcas_suite

entry_points.txt

[console_scripts]
molcas_suite = molcas_suite.cli:main