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aiida-qe-xspec

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0.1.1 aiida_qe_xspec-0.1.1-py3-none-any.whl

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Project: aiida-qe-xspec
Version: 0.1.1
Filename: aiida_qe_xspec-0.1.1-py3-none-any.whl
Download: [link]
Size: 86214
MD5: 6807905fd8f39de11fc9cca677aa3814
SHA256: 6a789dc6550171f305345798dd381096c1008059837c3b00f6b92a355386754d
Uploaded: 2025-02-12 09:11:50 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.3
Name: aiida-qe-xspec
Version: 0.1.1
Summary: AiiDA plugin for core-level spectroscopy calculations with Quantum ESPRESSO.
Author: aiida-qe-xspec team
Project-Url: documentation, https://aiida-qe-xspec.readthedocs.io/
Project-Url: homepage, https://github.com/aiidaplugins/aiida-qe-xspec
Project-Url: source, https://github.com/aiidaplugins/aiida-qe-xspec
Project-Url: tracker, https://github.com/aiidaplugins/aiida-qe-xspec/issues
Keywords: aiida,workflows,core-level,spectroscopy
Classifier: Development Status :: 4 - Beta
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 (>=2.3)
Requires-Dist: aiida-quantumespresso (>=4.5)
Requires-Dist: mypy (==1.6.1); extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Requires-Dist: pytest (~=6.2); extra == "dev"
Requires-Dist: pytest-regressions; extra == "dev"
Requires-Dist: myst-parser; extra == "docs"
Requires-Dist: pydata-sphinx-theme (~=0.14.3); extra == "docs"
Requires-Dist: sphinx (~=7.2); extra == "docs"
Requires-Dist: sphinx-copybutton (~=0.5.0); extra == "docs"
Requires-Dist: sphinx-click (~=4.0); extra == "docs"
Requires-Dist: sphinx-design (~=0.5.0); extra == "docs"
Requires-Dist: sphinx-favicon; extra == "docs"
Provides-Extra: dev
Provides-Extra: docs
Description-Content-Type: text/markdown
[Description omitted; length: 1950 characters]

WHEEL

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

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aiida_qe_xspec-0.1.1.dist-info/RECORD — —

entry_points.txt

[aiida.calculations]
xspec.xspectra = aiida_qe_xspec.calculations.xspectra:XspectraCalculation
[aiida.parsers]
xspec.xspectra = aiida_qe_xspec.parsers.xspectra:XspectraParser
[aiida.workflows]
xspec.xps = aiida_qe_xspec.workflows.xps:XpsWorkChain
xspec.xspectra.base = aiida_qe_xspec.workflows.xspectra.base:XspectraBaseWorkChain
xspec.xspectra.core = aiida_qe_xspec.workflows.xspectra.core:XspectraCoreWorkChain
xspec.xspectra.crystal = aiida_qe_xspec.workflows.xspectra.crystal:XspectraCrystalWorkChain
[aiidalab_qe.properties]
xas = aiida_qe_xspec.gui.xas:xas
xps = aiida_qe_xspec.gui.xps:xps