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aiida-gaussian-datatypes

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0.5.1 aiida_gaussian_datatypes-0.5.1-py3-none-any.whl

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Project: aiida-gaussian-datatypes
Version: 0.5.1
Filename: aiida_gaussian_datatypes-0.5.1-py3-none-any.whl
Download: [link]
Size: 25837
MD5: a686b8626d02a9c472f9a31ad8fe9106
SHA256: 49b4915133b9e4412b094a77e6aecebdd948f70bd4c473e1d8032ccd94ef2524
Uploaded: 2022-07-22 15:50:37 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: aiida-gaussian-datatypes
Version: 0.5.1
Summary: AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens
Author: Tiziano Müller
Author-Email: tiziano.mueller[at]chem.uzh.ch
Home-Page: https://github.com/dev-zero/aiida-gaussian-datatypes
License: MIT License
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: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Classifier: Framework :: AiiDA
Requires-Dist: aiida-core (>=1.6.2)
Requires-Dist: cp2k-input-tools (>=0.8.0)
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinx-click (>=2.2.0); extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive; python_version >= "3.0" and extra == "docs"
Requires-Dist: pre-commit (>=2.0.1); extra == "pre-commit"
Requires-Dist: pytest (>=6.0); extra == "testing"
Requires-Dist: pytest-cov; extra == "testing"
Requires-Dist: codecov (>=2.0.15); extra == "testing"
Requires-Dist: pgtest (>=1.3.1,~=1.3); extra == "testing"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: AUTHORS.txt
[Description omitted; length: 6377 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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aiida_gaussian_datatypes/groups.py sha256=TV9AwglGifgUsNpoPxELq9GZaAQ-X6dVjJ_5hf_7d3U 2031
aiida_gaussian_datatypes/utils.py sha256=N1OKg9QEqE2JSsgAVBZX_GHlZSFBaX5HOfZ2y_C3C5g 2565
aiida_gaussian_datatypes/basisset/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_gaussian_datatypes/basisset/cli.py sha256=W8nkIqJakVLN2r3r958LgXV4tuqmTPqSSBXQD7ZXuKk 7614
aiida_gaussian_datatypes/basisset/data.py sha256=VlpyAQxirancAOEfW2SHy0THHroLBXHRJIy-3oHnQ7w 11353
aiida_gaussian_datatypes/pseudopotential/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_gaussian_datatypes/pseudopotential/cli.py sha256=eDy5jATbc2mJ-neD2hHgGjRgzvtka6jQ-FAtGShCOJQ 8242
aiida_gaussian_datatypes/pseudopotential/data.py sha256=AK2l-_pjqOdr_VT3TbyZVh8XEjhRzu1v0tb0YnXFGzQ 11774
tests/__init__.py sha256=5enfxuNDJA0eflPWxMf8Csf614dfKt9iylQ-U1SNntA 67
tests/conftest.py sha256=y8zVTFgn-w6EwnchPcPVBSZH8KcpmptCXTzILv8t2mE 3320
tests/test_basisset_data.py sha256=lXCNrFTmzZdMv-bDbpgSACl5AcQYkNawmQTyLiyIo-Y 2483
tests/test_cli.py sha256=hzmAEvjHm5DRZg_0I8QAiyEpWJgcM1c9_sGbzm4V7QA 5086
tests/test_group.py sha256=R816CprRaXMbnn6NPEjOOBWnwdVyPZRyUx4w5omem5k 2619
tests/test_pseudo_data.py sha256=HV4IRPUcjdgO2aXUEoxTOdZIdZNOxdKlnuhoEHAl9q8 3750
aiida_gaussian_datatypes-0.5.1.dist-info/AUTHORS.txt sha256=gAL39nf4akKKZQomxjzcwDLZqRGYBdpsTFO3KA5TTzY 82
aiida_gaussian_datatypes-0.5.1.dist-info/LICENSE sha256=z010R3BBaf8CCQzhdO1v_yyMhEV1o4A7uMi7eHj0c8k 1072
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aiida_gaussian_datatypes-0.5.1.dist-info/WHEEL sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA 92
aiida_gaussian_datatypes-0.5.1.dist-info/entry_points.txt sha256=vvp-AOIysJoHDtXo02vsRQQzjTRaGc2YPvcQYHUSjhQ 465
aiida_gaussian_datatypes-0.5.1.dist-info/top_level.txt sha256=JLEdm0wZtNzbDlmrOPNhv0gqgI3AvpGEDktS2yJHBCg 31
aiida_gaussian_datatypes-0.5.1.dist-info/RECORD — —

top_level.txt

aiida_gaussian_datatypes
tests

entry_points.txt

[aiida.cmdline.data]
gaussian.basisset = aiida_gaussian_datatypes.basisset.cli:cli
gaussian.pseudo = aiida_gaussian_datatypes.pseudopotential.cli:cli
[aiida.data]
gaussian.basisset = aiida_gaussian_datatypes.basisset.data:BasisSet
gaussian.pseudo = aiida_gaussian_datatypes.pseudopotential.data:Pseudopotential
[aiida.groups]
gaussian.basisset = aiida_gaussian_datatypes.groups:BasisSetGroup
gaussian.pseudo = aiida_gaussian_datatypes.groups:PseudopotentialGroup