Metadata-Version: 2.4
Name: aiida-hyperqueue
Version: 0.3.0
Summary: AiiDA plugin for the HyperQueue metascheduler
Author: Marnik Bercx, Jusong Yu
Requires-Python: >=3.9
Description-Content-Type: text/markdown
Classifier: Framework :: AiiDA
Classifier: Development Status :: 3 - Alpha
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Natural Language :: English
Classifier: Programming Language :: Python
License-File: LICENSE
Requires-Dist: aiida-core~=2.7
Requires-Dist: sphinx ; extra == "docs"
Requires-Dist: myst-parser ; extra == "docs"
Requires-Dist: sphinx-design ; extra == "docs"
Requires-Dist: sphinx-book-theme ; extra == "docs"
Requires-Dist: sphinxcontrib-details-directive~=0.1.0 ; extra == "docs"
Requires-Dist: pre-commit~=3.5 ; extra == "pre-commit"
Requires-Dist: mypy~=1.10.0 ; extra == "pre-commit"
Requires-Dist: pgtest~=1.3.1 ; extra == "tests"
Requires-Dist: coverage~=7.0 ; extra == "tests"
Requires-Dist: pytest~=7.0 ; extra == "tests"
Requires-Dist: pytest-cov~=4.1 ; extra == "tests"
Project-URL: Source, https://github.com/aiidateam/aiida-hyperqueue
Provides-Extra: docs
Provides-Extra: pre-commit
Provides-Extra: tests

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# AiiDA HyperQueue plugin

AiiDA plugin for the [HyperQueue](https://it4innovations.github.io/hyperqueue/stable/) metascheduler.

| ❗️ This package is still in the early stages of development and we will most likely break the API regularly in new 0.X versions. Be sure to pin the version when installing this package in scripts.|
|---|

## Features

Allows task farming on Slurm machines through the submission of AiiDA calculations to the [HyperQueue](https://github.com/It4innovations/hyperqueue) metascheduler.
See the [Documentation](http://aiida-hyperqueue.readthedocs.io/) for more information on how to install and use the plugin.

## For developers

To control the loglevel of command, since we use the `echo` module from aiida, the CLI loglever can be set through `logging.verdi_loglevel`.

## Acknowledgenement
If you use this plugin for your research, please cite the following work:

#### HyperQueue

* J. Beránek *et al.*, *HyperQueue: Efficient and ergonomic task graphs on HPC clusters*, SoftwareX **27**, 101814 (2024); DOI: [10.1016/j.softx.2024.101814](https://doi.org/10.1016/j.softx.2024.101814)

#### AiiDA

* S. P. Huber *et al.*, *AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance*, Scientific Data **7**, 300 (2020); DOI: [10.1038/s41597-020-00638-4](https://doi.org/10.1038/s41597-020-00638-4)
* M. Uhrin *et al.*, *Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows*, Computational Materials Science **187**, 110086 (2021); DOI: [10.1016/j.commatsci.2020.110086](https://doi.org/10.1016/j.commatsci.2020.110086)

