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WorkChains and work functions aiida.workflows
aiida-tbextraction
AiiDA Plugin for extracting tight-binding models
status beta
General information
Registry checks
W019: No <code>bdist_wheel</code> available for PyPI release.
W002: AiiDA version not found
W008: Unable to reach documentation URL: https://aiida-tbextraction.readthedocs.io/
E001: Failed to install plugin aiida-tbextraction<pre>Collecting aiida-tbextraction
Downloading aiida-tbextraction-0.2.0b1.tar.gz (19 kB)
Preparing metadata (setup.py): started
Preparing metadata (setup.py): finished with status 'error'
error: subprocess-exited-with-error
× python setup.py egg_info did not run successfully.
│ exit code: 1
╰─> [20 lines of output]
/opt/conda/lib/python3.10/site-packages/setuptools/__init__.py:80: _DeprecatedInstaller: setuptools.installer and fetch_build_eggs are deprecated.
!!
********************************************************************************
Requirements should be satisfied by a PEP 517 installer.
If you are using pip, you can try `pip install --use-pep517`.
********************************************************************************
!!
dist.fetch_build_eggs(dist.setup_requires)
[ REENTRY ] registering entry points with reentry...
[ REENTRY ] ... registered to /home/aiida/.config/reentry/data/5d9e5327e684dbfa000493a11d0110f0abb5242e20a9b88369b9910dfe0d9564
[ REENTRY ] Following entrypoints were registered
aiida-tbextraction -> {'aiida.workflows': {'tbextraction.fp_run.base': 'tbextraction.fp_run.base = aiida_tbextraction.fp_run:FirstPrinciplesRunBase', 'tbextraction.fp_run.reference_bands.base': 'tbextraction.fp_run.reference_bands.base = aiida_tbextraction.fp_run.reference_bands:ReferenceBandsBase', 'tbextraction.fp_run.wannier_input.base': 'tbextraction.fp_run.wannier_input.base = aiida_tbextraction.fp_run.wannier_input:WannierInputBase', 'tbextraction.calculate_tb': 'tbextraction.calculate_tb = aiida_tbextraction.calculate_tb:TightBindingCalculation', 'tbextraction.model_evaluation.base': 'tbextraction.model_evaluation.base = aiida_tbextraction.model_evaluation:ModelEvaluationBase', 'tbextraction.model_evaluation.band_difference': 'tbextraction.model_evaluation.band_difference = aiida_tbextraction.model_evaluation:BandDifferenceModelEvaluation', 'tbextraction.energy_windows.run_window': 'tbextraction.energy_windows.run_window = aiida_tbextraction.energy_windows.run_window:RunWindow', 'tbextraction.energy_windows.window_search': 'tbextraction.energy_windows.window_search = aiida_tbextraction.energy_windows.window_search:WindowSearch', 'tbextraction.optimize_fp_tb': 'tbextraction.optimize_fp_tb = aiida_tbextraction.optimize_fp_tb:OptimizeFirstPrinciplesTightBinding', 'tbextraction.optimize_strained_fp_tb': 'tbextraction.optimize_strained_fp_tb = aiida_tbextraction.optimize_strained_fp_tb:OptimizeStrainedFirstPrinciplesTightBinding'}}
[ REENTRY ] Current entry point map at /home/aiida/.config/reentry/data/5d9e5327e684dbfa000493a11d0110f0abb5242e20a9b88369b9910dfe0d9564:
aiida-tbextraction -> {'aiida.workflows': {'tbextraction.fp_run.base': 'tbextraction.fp_run.base = aiida_tbextraction.fp_run:FirstPrinciplesRunBase', 'tbextraction.fp_run.reference_bands.base': 'tbextraction.fp_run.reference_bands.base = aiida_tbextraction.fp_run.reference_bands:ReferenceBandsBase', 'tbextraction.fp_run.wannier_input.base': 'tbextraction.fp_run.wannier_input.base = aiida_tbextraction.fp_run.wannier_input:WannierInputBase', 'tbextraction.calculate_tb': 'tbextraction.calculate_tb = aiida_tbextraction.calculate_tb:TightBindingCalculation', 'tbextraction.model_evaluation.base': 'tbextraction.model_evaluation.base = aiida_tbextraction.model_evaluation:ModelEvaluationBase', 'tbextraction.model_evaluation.band_difference': 'tbextraction.model_evaluation.band_difference = aiida_tbextraction.model_evaluation:BandDifferenceModelEvaluation', 'tbextraction.energy_windows.run_window': 'tbextraction.energy_windows.run_window = aiida_tbextraction.energy_windows.run_window:RunWindow', 'tbextraction.energy_windows.window_search': 'tbextraction.energy_windows.window_search = aiida_tbextraction.energy_windows.window_search:WindowSearch', 'tbextraction.optimize_fp_tb': 'tbextraction.optimize_fp_tb = aiida_tbextraction.optimize_fp_tb:OptimizeFirstPrinciplesTightBinding', 'tbextraction.optimize_strained_fp_tb': 'tbextraction.optimize_strained_fp_tb = aiida_tbextraction.optimize_strained_fp_tb:OptimizeStrainedFirstPrinciplesTightBinding'}}
error in aiida-tbextraction setup command: 'install_requires' must be a string or list of strings containing valid project/version requirement specifiers; Expected end or semicolon (after version specifier)
aiida-core>=1.0.0<2
~~~~~~~^
[end of output]
note: This error originates from a subprocess, and is likely not a problem with pip.
error: metadata-generation-failed
× Encountered error while generating package metadata.
╰─> See above for output.
note: This is an issue with the package mentioned above, not pip.
hint: See above for details.
</pre>
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troubleshooting instructions
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Plugins provided
Workflows 10
Entry points
-
tbextraction.fp_run.base
aiida_tbextraction.fp_run:FirstPrinciplesRunBase -
tbextraction.fp_run.reference_bands.base
aiida_tbextraction.fp_run.reference_bands:ReferenceBandsBase -
tbextraction.fp_run.wannier_input.base
aiida_tbextraction.fp_run.wannier_input:WannierInputBase -
tbextraction.calculate_tb
aiida_tbextraction.calculate_tb:TightBindingCalculation -
tbextraction.model_evaluation.base
aiida_tbextraction.model_evaluation:ModelEvaluationBase -
tbextraction.model_evaluation.band_difference
aiida_tbextraction.model_evaluation:BandDifferenceModelEvaluation -
tbextraction.energy_windows.run_window
aiida_tbextraction.energy_windows.run_window:RunWindow -
tbextraction.energy_windows.window_search
aiida_tbextraction.energy_windows.window_search:WindowSearch -
tbextraction.optimize_fp_tb
aiida_tbextraction.optimize_fp_tb:OptimizeFirstPrinciplesTightBinding -
tbextraction.optimize_strained_fp_tb
aiida_tbextraction.optimize_strained_fp_tb:OptimizeStrainedFirstPrinciplesTightBinding