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0.1.6

PyPI

aiidalab-qe-hp

AiiDALab plugin for Quantum ESPRESSO Hubbard parameters (HP) calculations.

Published30 Sept 2026

Direct dependencies12

Transitive dependenciesNot calculated

README

Version 0.1.6 documentation

AiiDAlab QE app Hubbard parameters plugin

A plugin for running Hubbard parameters calculations inside the AiiDAlab Quantum ESPRESSO App.

Installation

You can install the plugin from the Plugin store of the AiiDAlab QE app.

If you want to install manually, run

pip install aiidalab-qe-hp

then restart the AiiDA daemon

verdi daemon restart

Documentation

Please refer to the documentation for more information on how to use this plugin.

Cite

If you use the AiiDAlab QE app in your research, please cite:

Wang, X., Bainglass, E., Bonacci, M., Ortega-Guerrero, A. et al.
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
npj. Comput. Mater. 12, 72 (2026). https://doi.org/10.1038/s41524-025-01936-4

Bastonero, L., Malica, C., Macke, E., Bercx, M., Huber, S., Timrov, I., Marzari, N.
First-principles Hubbard parameters with automated and reproducible workflows
npj. Comput. Mater. 11, 183 (2025). https://doi.org/10.1038/s41524-025-01685-4

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Declared dependencies 12

Native requirements

12 direct targetsNot calculated transitive count

Package / target	Requirement	Relationship
aiida-core Environment { "extras": "", "marker": null, "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`aiida-core~=2.8`	runtime
aiida-quantumespresso Environment { "extras": "", "marker": null, "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`aiida-quantumespresso~=5.0`	runtime
aiida-hubbard Environment { "extras": "", "marker": null, "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`aiida-hubbard~=0.7.0`	runtime
weas-widget Environment { "extras": "", "marker": null, "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`weas-widget>=0.2.6`	runtime
table-widget Environment { "extras": "", "marker": null, "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`table-widget>=0.0.3`	runtime
mypy Environment { "extras": "", "marker": "extra == \"dev\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`mypy==1.6.1; extra == "dev"`	runtime
pre-commit Environment { "extras": "", "marker": "extra == \"dev\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`pre-commit~=3.2; extra == "dev"`	runtime
pytest Environment { "extras": "", "marker": "extra == \"dev\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`pytest~=7.4; extra == "dev"`	runtime
pytest-regressions Environment { "extras": "", "marker": "extra == \"dev\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`pytest-regressions~=2.2; extra == "dev"`	runtime
sphinx Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`sphinx~=4.5.0; extra == "docs"`	runtime
sphinx-design Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`sphinx-design~=0.4.1; extra == "docs"`	runtime
pydata-sphinx-theme Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.12", "evaluation": "NOT_EVALUATED" }	`pydata-sphinx-theme~=0.13.3; extra == "docs"`	runtime