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0.1.0

PyPI

aiida-inq

The official AiiDA plugin for INQ.

Published8 Oct 2024

Direct dependencies14

Transitive dependenciesNot calculated

README

Version 0.1.0 documentation

aiida-inq

AiiDA plugin for the LLNL developed INQ code.

A basic understanding of how to interact with AiiDA is required. Simple examples have been provided and can be found in the examples folder.

Basic installation

git clone https://github.com/LLNL/aiida-inq.git
cd aiida-inq
pip install -e .

Future work: Register the package with pypi for simple pip installation.

Release information

LLNL-CODE-2000432

AiiDA-INQ is provided under a standard MIT license.

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Declared dependencies 14

Native requirements

14 direct targetsNot calculated transitive count

Package / target	Requirement	Relationship
aiida-core Environment { "extras": "", "marker": null, "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`aiida-core~=2.0`	runtime
ase Environment { "extras": "", "marker": null, "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`ase`	runtime
aiida-ase Environment { "extras": "", "marker": null, "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`aiida-ase`	runtime
numpy Environment { "extras": "", "marker": null, "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`numpy`	runtime
sphinx Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`sphinx; extra == "docs"`	runtime
sphinx-autoapi Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`sphinx-autoapi; extra == "docs"`	runtime
sphinx-book-theme Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`sphinx-book-theme; extra == "docs"`	runtime
sphinx-click Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`sphinx-click; extra == "docs"`	runtime
sphinx-copybutton Environment { "extras": "", "marker": "extra == \"docs\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`sphinx-copybutton; extra == "docs"`	runtime
pre-commit Environment { "extras": "", "marker": "extra == \"pre-commit\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`pre-commit; extra == "pre-commit"`	runtime
pylint Environment { "extras": "", "marker": "extra == \"pre-commit\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`pylint; extra == "pre-commit"`	runtime
pgtest Environment { "extras": "", "marker": "extra == \"tests\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`pgtest; extra == "tests"`	runtime
pytest Environment { "extras": "", "marker": "extra == \"tests\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`pytest; extra == "tests"`	runtime
pytest-regressions Environment { "extras": "", "marker": "extra == \"tests\"", "requires_python": ">=3.10", "evaluation": "NOT_EVALUATED" }	`pytest-regressions; extra == "tests"`	runtime