aiida-aimall

View on PyPIReverse Dependencies (0)

0.6.12 aiida_aimall-0.6.12-py3-none-any.whl
0.6.11 aiida_aimall-0.6.11-py3-none-any.whl

Wheel Details

Project: aiida-aimall
Version: 0.6.11
Filename: aiida_aimall-0.6.11-py3-none-any.whl
Download: [link]
Size: 24406
MD5: 23720dcb9c8bf7838548881de1ff6c67
SHA256: 46739acd0a1ad4f96bf8c55ada1358ca0a905dc6c2f20e4787af4665f8e6cffd
Uploaded: 2024-04-10 19:25:20 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: aiida-aimall
Version: 0.6.11
Summary: A plugin to interface AIMAll with AiiDA
Author-Email: Kevin Lefrancois-Gagnon <kgagnon[at]lakeheadu.ca>
Project-Url: Documentation, https://aiida-aimall.readthedocs.io
Project-Url: Home, https://aiida-aimall.readthedocs.io
Project-Url: Source, https://github.com/kmlefran/aiida-aimall
Keywords: aiida,plugin
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Development Status :: 3 - Alpha
Classifier: Framework :: AiiDA
Requires-Python: >=3.10
Requires-Dist: aiida-core (<3,>=2.0)
Requires-Dist: voluptuous
Requires-Dist: aiida-submission-controller
Requires-Dist: pydantic
Requires-Dist: ase
Requires-Dist: cclib
Requires-Dist: aiida-dataframe
Requires-Dist: multiprocess
Requires-Dist: subproptools
Requires-Dist: group_decomposition
Requires-Dist: pymatgen
Requires-Dist: aiida-core; extra == "docs"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-contentui; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive; extra == "docs"
Requires-Dist: furo; extra == "docs"
Requires-Dist: markupsafe (<2.1); extra == "docs"
Requires-Dist: pandas; extra == "docs"
Requires-Dist: numpy; extra == "docs"
Requires-Dist: aiida-submission-controller; extra == "docs"
Requires-Dist: pydantic; extra == "docs"
Requires-Dist: ase; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: cclib; extra == "docs"
Requires-Dist: aiida-dataframe; extra == "docs"
Requires-Dist: multiprocess; extra == "docs"
Requires-Dist: subproptools; extra == "docs"
Requires-Dist: group_decomposition; extra == "docs"
Requires-Dist: pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist: pylint (~=2.15.10); extra == "pre-commit"
Requires-Dist: pgtest (~=1.3.1); extra == "testing"
Requires-Dist: wheel (~=0.31); extra == "testing"
Requires-Dist: coverage; extra == "testing"
Requires-Dist: pytest (~=6.0); extra == "testing"
Requires-Dist: pytest-cov; extra == "testing"
Requires-Dist: pytest-regressions (~=2.3); extra == "testing"
Requires-Dist: pandas; extra == "testing"
Requires-Dist: numpy; extra == "testing"
Requires-Dist: aiida-submission-controller; extra == "testing"
Requires-Dist: pydantic; extra == "testing"
Requires-Dist: ase; extra == "testing"
Requires-Dist: sphinx-rtd-theme; extra == "testing"
Requires-Dist: cclib; extra == "testing"
Requires-Dist: aiida-dataframe; extra == "testing"
Requires-Dist: multiprocess; extra == "testing"
Requires-Dist: subproptools; extra == "testing"
Requires-Dist: pymatgen; extra == "testing"
Requires-Dist: coveralls; extra == "testing"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
[Description omitted; length: 9731 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
aiida_aimall/__init__.py sha256=5VNzxDh5bh2CsfV9T1nH-PbeOehgE-iGE7hrmiEcZj4 86
aiida_aimall/calculations.py sha256=DvHqus7ieVk6EtEde9SLhVl98OVyfCXDNu7JLFW25eg 15415
aiida_aimall/controllers.py sha256=YfQmffWPN5F9avZCuE27YNg3g9URMIgweK9w2txImXM 16513
aiida_aimall/parsers.py sha256=kd5-m-Hm99aZGq3kdMvw3VooQP1p3KSyLpqC8fPWbkM 15668
aiida_aimall/workchains.py sha256=d2-qAZ_exSvJ-xSvGFbneJntNQuK8tY4WwgToIUNh1Q 21001
aiida_aimall/data/__init__.py sha256=dZ2oxUrHQEjry8ySFUni2GzRX71U_iSfIuXzeOW70Hw 3431
aiida_aimall-0.6.11.dist-info/entry_points.txt sha256=JyS4ANnK0DQriisQuIn77fpuFwg4RoQwqLkcumFlGR4 636
aiida_aimall-0.6.11.dist-info/LICENSE sha256=KMSAw1MxTSGUtV_m46hBbiqoUIw1o3gBFOPZFRpYFOw 1081
aiida_aimall-0.6.11.dist-info/WHEEL sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4 81
aiida_aimall-0.6.11.dist-info/METADATA sha256=NzDy9zMTFS0NlcZ6z1gP5LuIGlxMrLdxaNWMrmCs5hM 12733
aiida_aimall-0.6.11.dist-info/RECORD

entry_points.txt

aimall.aimqb = aiida_aimall.calculations:AimqbCalculation
aimall.gaussianwfx = aiida_aimall.calculations:GaussianWFXCalculation
aimall.aimqb = aiida_aimall.data:AimqbParameters
aimall.base = aiida_aimall.parsers:AimqbBaseParser
aimall.gaussianwfx = aiida_aimall.parsers:GaussianWFXParser
aimall.group = aiida_aimall.parsers:AimqbGroupParser
aimall.aimreor = aiida_aimall.workchains:AIMAllReor
aimall.g16opt = aiida_aimall.workchains:G16OptWorkchain
aimall.multifrag = aiida_aimall.workchains:MultiFragmentWorkChain
aimall.optaimreor = aiida_aimall.workchains:OptAimReorSPAimWorkChain