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2.0.0 aiida_fleur-2.0.0-py3-none-any.whl

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Project: aiida-fleur
Version: 2.0.0
Filename: aiida_fleur-2.0.0-py3-none-any.whl
Download: [link]
Size: 280278
MD5: a6c5f9ce8769b645888cb7c76520fa2a
SHA256: 8205894738a5559e43da4572d1d16bd7efed6a42015d8f5a67b2bb38dd6ed71a
Uploaded: 2023-05-03 19:47:04 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aiida-fleur
Version: 2.0.0
Summary: AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities
Author-Email: The JuDFT team <j.broeder[at]fz-juelich.de>
Project-Url: Documentation, https://aiida-fleur.readthedocs.io
Project-Url: Home, https://aiida-fleur..readthedocs.io
Project-Url: Source, https://github.com/JuDFTteam/aiida-fleur
Keywords: fleur,aiida,inpgen,workflows,flapw,juelich,dft,all-electron
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Environment :: Plugins
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Natural Language :: English
Requires-Python: >=3.8
Requires-Dist: aiida-core[atomic_tools] (<3.0.0,>=2.0.1)
Requires-Dist: lxml (~=4.8)
Requires-Dist: numpy (>=1.16.4,~=1.16)
Requires-Dist: sympy
Requires-Dist: masci-tools (~=0.13)
Requires-Dist: future
Requires-Dist: pyhull
Requires-Dist: more_itertools
Requires-Dist: MarkupSafe (<2.1.0)
Requires-Dist: bumpver; extra == "dev"
Requires-Dist: sphinx (~=4.0); extra == "docs"
Requires-Dist: sphinx_rtd_theme; extra == "docs"
Requires-Dist: sphinx-click; extra == "docs"
Requires-Dist: myst-parser (~=0.15.2); extra == "docs"
Requires-Dist: matplotlib; extra == "graphs"
Requires-Dist: masci-tools[bokeh-plots]; extra == "graphs"
Requires-Dist: pre-commit (>=2.6.0); extra == "pre-commit"
Requires-Dist: yapf (~=0.30); extra == "pre-commit"
Requires-Dist: pylint (>=2.5); extra == "pre-commit"
Requires-Dist: mypy (==0.990); extra == "pre-commit"
Requires-Dist: types-PyYAML; extra == "pre-commit"
Requires-Dist: lxml-stubs (~=0.4); extra == "pre-commit"
Requires-Dist: pytest (>=2.9); extra == "testing"
Requires-Dist: pytest-timeout; extra == "testing"
Requires-Dist: pytest-cov (~=3.0); extra == "testing"
Requires-Dist: pytest-mpl (>=0.12); extra == "testing"
Requires-Dist: pgtest; extra == "testing"
Requires-Dist: pytest-regressions (>=1.0); extra == "testing"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: graphs
Provides-Extra: pre-commit
Provides-Extra: testing
Description-Content-Type: text/markdown
[Description omitted; length: 31220 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.8.0
Root-Is-Purelib: true
Tag: py3-none-any

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entry_points.txt

[aiida.calculations]
fleur.fleur = aiida_fleur.calculation.fleur:FleurCalculation
fleur.inpgen = aiida_fleur.calculation.fleurinputgen:FleurinputgenCalculation
[aiida.data]
fleur.fleurinp = aiida_fleur.data.fleurinp:FleurinpData
[aiida.parsers]
fleur.fleurinpgenparser = aiida_fleur.parsers.fleur_inputgen:Fleur_inputgenParser
fleur.fleurparser = aiida_fleur.parsers.fleur:FleurParser
[aiida.workflows]
fleur.banddos = aiida_fleur.workflows.banddos:FleurBandDosWorkChain
fleur.base = aiida_fleur.workflows.base_fleur:FleurBaseWorkChain
fleur.base_relax = aiida_fleur.workflows.base_relax:FleurBaseRelaxWorkChain
fleur.cfcoeff = aiida_fleur.workflows.cfcoeff:FleurCFCoeffWorkChain
fleur.corehole = aiida_fleur.workflows.corehole:FleurCoreholeWorkChain
fleur.create_magnetic = aiida_fleur.workflows.create_magnetic_film:FleurCreateMagneticWorkChain
fleur.dmi = aiida_fleur.workflows.dmi:FleurDMIWorkChain
fleur.dos = aiida_fleur.workflows.dos:fleur_dos_wc
fleur.eos = aiida_fleur.workflows.eos:FleurEosWorkChain
fleur.init_cls = aiida_fleur.workflows.initial_cls:FleurInitialCLSWorkChain
fleur.mae = aiida_fleur.workflows.mae:FleurMaeWorkChain
fleur.mae_conv = aiida_fleur.workflows.mae_conv:FleurMaeConvWorkChain
fleur.orbcontrol = aiida_fleur.workflows.orbcontrol:FleurOrbControlWorkChain
fleur.relax = aiida_fleur.workflows.relax:FleurRelaxWorkChain
fleur.relax_torque = aiida_fleur.workflows.relax_torque:FleurRelaxTorqueWorkChain
fleur.scf = aiida_fleur.workflows.scf:FleurScfWorkChain
fleur.ssdisp = aiida_fleur.workflows.ssdisp:FleurSSDispWorkChain
fleur.ssdisp_conv = aiida_fleur.workflows.ssdisp_conv:FleurSSDispConvWorkChain
fleur.strain = aiida_fleur.workflows.strain:FleurStrainWorkChain
[console_scripts]
aiida-fleur = aiida_fleur.cmdline:cmd_root