Metadata-Version: 2.1
Name: aiida_inq
Version: 0.1.0
Summary: The official AiiDA plugin for INQ.
Keywords: aiida,workflows,inq
Author-email: Nathan Keilbart <keilbart1@llnl.gov>
Requires-Python: >=3.10
Description-Content-Type: text/markdown
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 :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering
Requires-Dist: aiida-core~=2.0
Requires-Dist: ase
Requires-Dist: aiida-ase
Requires-Dist: numpy
Requires-Dist: sphinx ; extra == "docs"
Requires-Dist: sphinx-autoapi ; extra == "docs"
Requires-Dist: sphinx-book-theme ; extra == "docs"
Requires-Dist: sphinx-click ; extra == "docs"
Requires-Dist: sphinx-copybutton ; extra == "docs"
Requires-Dist: pre-commit ; extra == "pre-commit"
Requires-Dist: pylint ; extra == "pre-commit"
Requires-Dist: pgtest ; extra == "tests"
Requires-Dist: pytest ; extra == "tests"
Requires-Dist: pytest-regressions ; extra == "tests"
Project-URL: Source, https://github.com/LLNL/aiida-inq
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests

# aiida-inq
AiiDA plugin for the LLNL developed INQ code.

A basic understanding of how to interact with [AiiDA](https://aiida.readthedocs.io/projects/aiida-core/en/stable/) is required. Simple examples have been provided and can be found in the examples folder.

## Basic installation

```bash
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.
