aiida-bader

View on PyPIReverse Dependencies (1)

0.1.1 aiida_bader-0.1.1-py3-none-any.whl

Wheel Details

Project: aiida-bader
Version: 0.1.1
Filename: aiida_bader-0.1.1-py3-none-any.whl
Download: [link]
Size: 18576
MD5: 8c4c381f028cc942f1294a80e22f9ff6
SHA256: 44690b4b3e8d38084ca82af3ef2e48992a390d4692df9e27def1eca91797ea7c
Uploaded: 2025-02-16 07:33:33 +0000

dist-info

METADATA

Metadata-Version: 2.3
Name: aiida-bader
Version: 0.1.1
Summary: Collections of node-based workflow created using aiida-workgraph.
Author-Email: Xing Wang <xingwang1991[at]gmail.com>
Project-Url: Documentation, https://aiida-bader.readthedocs.io
Project-Url: Source, https://github.com/superstar54/aiida-bader
Keywords: aiida,bader,quantum-espresso,cp2k
Classifier: Development Status :: 1 - Planning
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.9
Requires-Dist: aiida-core
Requires-Dist: aiida-workgraph
Requires-Dist: aiida-quantumespresso
Requires-Dist: aiida-cp2k
Requires-Dist: weas-widget (>=0.1.25)
Requires-Dist: table-widget (>=0.0.3)
Requires-Dist: sphinx_rtd_theme; extra == "docs"
Requires-Dist: sphinx (~=7.2); extra == "docs"
Requires-Dist: sphinx-copybutton (~=0.5.0); extra == "docs"
Requires-Dist: sphinx-design (~=0.5.0); extra == "docs"
Requires-Dist: sphinx-notfound-page (~=1.0); extra == "docs"
Requires-Dist: sphinxext-rediraffe (~=0.2.4); extra == "docs"
Requires-Dist: sphinx-intl (~=2.1.0); extra == "docs"
Requires-Dist: myst-nb (~=1.0.0); extra == "docs"
Requires-Dist: nbsphinx; extra == "docs"
Requires-Dist: pre-commit (~=2.2); extra == "pre-commit"
Requires-Dist: pylint (~=2.17.4); extra == "pre-commit"
Requires-Dist: pytest (~=7.0); extra == "tests"
Requires-Dist: pytest-cov (<2.11,~=2.7); extra == "tests"
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests
Description-Content-Type: text/markdown
[Description omitted; length: 1607 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.10.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
aiida_bader/__init__.py sha256=rnObPjuBcEStqSO0S6gsdS_ot8ITOQjVj_-P1LUUYpg 22
aiida_bader/calculations/__init__.py sha256=PnATPXVCqJTmif6I-M2YNduBwK696j0DUjoHocPffTQ 4842
aiida_bader/parsers/__init__.py sha256=hIEpHe3q9MVRoNGO-jtqqdWfPWi93cezH3Qsr2OBP2s 2005
aiida_bader/qeapp/__init__.py sha256=YrLvCMsbH7xsYHJs2mVTEmxTTt1PDx8e7YcOeop4AYo 793
aiida_bader/qeapp/model.py sha256=MtjYeykGkcWyZH_pjYMsgIPulWvQoYN9cY-0OgaxwXQ 1886
aiida_bader/qeapp/resources.py sha256=xJtIYh-93yDNjHr6F06RITMy5RtZ2lwk8C9i9U8VqXk 1211
aiida_bader/qeapp/setting.py sha256=7dD5ljf3_sL1RRKaSDJU8v3CK09-R_zd37asDD--E2c 4215
aiida_bader/qeapp/workchain.py sha256=82idxChwEZJpiMebWL8XTrzIHDi_Yv7tmvz5NFis4-4 4120
aiida_bader/qeapp/result/__init__.py sha256=ZgP2vKU-luhF2fvgw5wvX4Fpcn0jB3Q2eMI9PwajIQg 139
aiida_bader/qeapp/result/model.py sha256=04QV5AmqPGONLIM4g0AOCG7jBbzWW5MFVooFTWP1yFA 1234
aiida_bader/qeapp/result/panel.py sha256=93tEJgy_MCdPOrWQny1ol_ZiDJOKaXs6PbBl0zA4944 4162
aiida_bader/workchains/__init__.py sha256=85nkZpAyj0SIxZ71kVENUsok2hKdrlsOoYHrYn4OcGI 93
aiida_bader/workchains/qe_bader.py sha256=DX87D3OiULFpXzZ2WvCKdOfrOA9czL2eXeW_T-kbZv4 10062
aiida_bader/workchains/protocols/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_bader/workchains/protocols/bader.yaml sha256=1Vb0v4132XgUokPR_DVA2quIsyhsDT4eFWRCtr4V0pE 1196
aiida_bader/workgraph/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aiida_bader/workgraph/cp2k_bader.py sha256=Qu3uB71HNMkVnsh9aCgI8fPt3pVFQP0ZnS1tIKlJEaI 511
aiida_bader/workgraph/qe_bader.py sha256=c1EFNw7JR-Y9s-UR53Fj8vb3FL6SrCH64zNhZQg9lSA 2067
aiida_bader-0.1.1.dist-info/entry_points.txt sha256=gw-4qDqxXQTng39tKuE_BoEZiJbW-RxGm2NTZ2znXqc 249
aiida_bader-0.1.1.dist-info/LICENSE sha256=YJLEYAG-YryBvolh8xKAXvcssdbASWv6hv7xaUhM-xs 1066
aiida_bader-0.1.1.dist-info/WHEEL sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI 82
aiida_bader-0.1.1.dist-info/METADATA sha256=PElGhWLOm5stIE50QeGydaNN73z7H3t0OOblLzXtQrI 3475
aiida_bader-0.1.1.dist-info/RECORD

entry_points.txt

bader = aiida_bader.calculations:BaderCalculation
bader = aiida_bader.parsers:BaderParser
bader.qe = aiida_bader.workchains:QeBaderWorkChain
bader = aiida_bader.qeapp:bader