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turbomoleio

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1.6.0 turbomoleio-1.6.0-py3-none-any.whl

Wheel Details

Project: turbomoleio
Version: 1.6.0
Filename: turbomoleio-1.6.0-py3-none-any.whl
Download: [link]
Size: 129914
MD5: be9658e854d181eaa4d6d901dc61c455
SHA256: 6b685048cc2a13782808edead2adc09428dfdf7adb8baa5f33fd031e06ea38a2
Uploaded: 2024-09-12 13:53:49 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: turbomoleio
Version: 1.6.0
Summary: Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for TURBOMOLE.
Author-Email: Guido Petretto <guido.petretto[at]matgenix.com>, David Waroquiers <david.waroquiers[at]matgenix.com>
License: GPL V3
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: System Administrators
Classifier: Intended Audience :: Information Technology
Classifier: Operating System :: OS Independent
Classifier: Topic :: Other/Nonlisted Topic
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.9
Requires-Dist: numpy (<2,>=1.16.5)
Requires-Dist: matplotlib (>=3.5.1)
Requires-Dist: pandas (>=1.4.1)
Requires-Dist: pymatgen (>=2022.2.10)
Requires-Dist: monty (>=2022.1.19)
Requires-Dist: pexpect (>=4.8.0)
Requires-Dist: cerberus (>=1.3.4)
Requires-Dist: pytest (>=6.2.3); extra == "dev"
Requires-Dist: pytest-cov (>=2.11.1); extra == "dev"
Requires-Dist: coverage[toml] (>=5.5); extra == "dev"
Requires-Dist: pytest-mock (>=3.3.1); extra == "dev"
Requires-Dist: pre-commit (>=2.9.3); extra == "dev"
Requires-Dist: isort (>=5.6.4); extra == "dev"
Requires-Dist: black (>=20.8b1); extra == "dev"
Requires-Dist: flake8 (>=3.8.4); extra == "dev"
Requires-Dist: pylint (>=2.6.0); extra == "dev"
Requires-Dist: pydocstyle (>=6.1.1); extra == "dev"
Requires-Dist: mypy (>=0.790); extra == "dev"
Requires-Dist: invoke (>=1.6); extra == "dev"
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: sphinx-rtd-theme; extra == "doc"
Provides-Extra: dev
Provides-Extra: doc
Description-Content-Type: text/x-rst
License-File: COPYING
[Description omitted; length: 1211 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (74.1.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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turbomoleio/core/base.py sha256=XAKIVLrmtJGT4Inoe5lTsnW9mkgWGaDPvr2ewY5QYpE 11770
turbomoleio/core/control.py sha256=4pVV21MBAIypPKV1x1DDNzkj1wpsg-g1vpE4qUjoR4Q 43490
turbomoleio/core/datagroups.py sha256=7zwFY23LE4qaJcBClphvhyWg7oX37ZHmgF7FhZAM4mw 34724
turbomoleio/core/molecule.py sha256=i4ph1ShdmjBzL2JDVLCHJsJI34lkg8qoP_mP8zAkhp4 34061
turbomoleio/core/periodic.py sha256=a4iDjf5ksKE3OSy416lNpCTgraAWnWpgybunsIznpyM 9596
turbomoleio/core/symmetry.py sha256=q1ME0utJDN8ZtzFTtPvt2JxKOMRbRpEKqCwPGK0z55k 1138
turbomoleio/core/utils.py sha256=RgFuCu4dQTJUtenAHIRE4C28EOVojsvSWLGXWMP41bI 1887
turbomoleio/core/data/__init__.py sha256=v7YjbDOQ6gqf97dZkUMAlYVMbn3vKG5YMINXhmYgVEw 964
turbomoleio/core/data/available_solvents.txt sha256=L5suVeWA2B5oXQcBu38mtemVjcA1GLnfcXZpGBZS8NY 1159
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turbomoleio/input/utils.py sha256=FQ0VnxAb5--lQVvo7UTxPYil-VLZbht96IkCxlA8xaQ 9341
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turbomoleio-1.6.0.dist-info/top_level.txt sha256=MISrFs0haworKnwkrf9ExUj6yQQVsWwlWzWFObtfnsM 12
turbomoleio-1.6.0.dist-info/RECORD — —

top_level.txt

turbomoleio