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nlesc-CAT

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1.1.0 nlesc_CAT-1.1.0-py3-none-any.whl

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Project: nlesc-CAT
Version: 1.1.0
Filename: nlesc_CAT-1.1.0-py3-none-any.whl
Download: [link]
Size: 409402
MD5: 684eb7741c11032ff0ab185b37bcd0a2
SHA256: ec7a37294740b996235a6fcb51419eb32d70959b7198fe2c4ca448b045fd0029
Uploaded: 2022-09-29 12:37:24 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: nlesc-CAT
Version: 1.1.0
Summary: A collection of tools designed for the automatic construction of chemical compounds.
Author: Bas van Beek & Jelena Belic
Author-Email: b.f.van.beek[at]vu.nl
Home-Page: https://github.com/nlesc-nano/CAT
License: GNU Lesser General Public License v3
Keywords: quantum-mechanics,molecular-mechanics,science,chemistry,python-3,python-3-6,python-3-7,python-3-8,python-3-9,python-3-10,automation,scientific-workflows
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Natural Language :: English
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Typing :: Typed
Requires-Python: >=3.6
Requires-Dist: numpy (>=1.15.0)
Requires-Dist: scipy (>=0.19.1)
Requires-Dist: pandas (>=0.23.0)
Requires-Dist: pyyaml (>=5.1)
Requires-Dist: schema (!=0.7.5,>=0.7.2)
Requires-Dist: AssertionLib (>=2.2.3)
Requires-Dist: plams (>=1.5.1)
Requires-Dist: typing-extensions (>=3.7.4.3)
Requires-Dist: qmflows (>=0.12.0)
Requires-Dist: packaging (>=1.16.8)
Requires-Dist: Nano-Utils (>=0.4.3); python_version == "3.6"
Requires-Dist: contextlib2 (>=0.6.0); python_version == "3.6"
Requires-Dist: rdkit-pypi (>=2018.03.1); python_version == "3.6"
Requires-Dist: Nano-Utils (>=2.3.1); python_version >= "3.7"
Requires-Dist: rdkit (>=2018.03.1); python_version >= "3.7"
Requires-Dist: sphinx (>=2.4); extra == "doc"
Requires-Dist: sphinx-rtd-theme; extra == "doc"
Requires-Dist: data-CAT (>=0.7.0); extra == "doc"
Requires-Dist: nano-CAT (>=0.7.1); extra == "doc"
Requires-Dist: auto-FOX (>=0.10.0); extra == "doc"
Requires-Dist: pytest (>=5.4.0); extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: pytest-mock; extra == "test"
Requires-Dist: h5py (>=2.7.0); extra == "test"
Requires-Dist: ipython (>=5.0.0); extra == "test"
Requires-Dist: sphinx (>=2.4); python_version >= "3.7" and extra == "test"
Requires-Dist: sphinx-rtd-theme; python_version >= "3.7" and extra == "test"
Requires-Dist: data-CAT (>=0.7.0); python_version >= "3.7" and extra == "test"
Requires-Dist: nano-CAT (>=0.7.1); python_version >= "3.7" and extra == "test"
Requires-Dist: auto-FOX (>=0.10.0); python_version >= "3.7" and extra == "test"
Provides-Extra: doc
Provides-Extra: test
Description-Content-Type: text/x-rst
License-File: LICENSE.md
[Description omitted; length: 3265 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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nlesc_CAT-1.1.0.dist-info/RECORD — —

top_level.txt

CAT

entry_points.txt

[console_scripts]
init_cat = CAT.data_handling.entry_points:main