Data

Tools

Indexes

Applications

Experiments

Open Source Science

https://github.com/aiidateam/aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.

https://github.com/aiidateam/aiida-hyperqueue

Science Score: 49.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 9 DOI reference(s) in README
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    1 of 7 committers (14.3%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (10.1%) to scientific vocabulary

Keywords

aiida metascheduler workflows

Keywords from Contributors

quantum-espresso common-workflows dft materials-science energy-system-model parallel
Last synced: 5 months ago · JSON representation

Repository

AiiDA plugin for the HyperQueue metascheduler.

Basic Info
Statistics
  • Stars: 8
  • Watchers: 2
  • Forks: 11
  • Open Issues: 11
  • Releases: 1
Topics
aiida metascheduler workflows
Created about 4 years ago · Last pushed 6 months ago
Metadata Files
Readme Changelog License

README.md

Build Status Docs status PyPI version

AiiDA HyperQueue plugin

AiiDA plugin for the HyperQueue 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 metascheduler. See the Documentation 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

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
  • 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

Owner

  • Name: AiiDA team
  • Login: aiidateam
  • Kind: organization

The development team of AiiDA

GitHub Events

Total
  • Issues event: 1
  • Watch event: 3
  • Delete event: 3
  • Issue comment event: 7
  • Push event: 67
  • Pull request review event: 5
  • Pull request review comment event: 2
  • Pull request event: 8
  • Fork event: 3
  • Create event: 8
Last Year
  • Issues event: 1
  • Watch event: 3
  • Delete event: 3
  • Issue comment event: 7
  • Push event: 67
  • Pull request review event: 5
  • Pull request review comment event: 2
  • Pull request event: 8
  • Fork event: 3
  • Create event: 8

Committers

Last synced: 10 months ago

All Time
  • Total Commits: 47
  • Total Committers: 7
  • Avg Commits per committer: 6.714
  • Development Distribution Score (DDS): 0.511
Past Year
  • Commits: 31
  • Committers: 4
  • Avg Commits per committer: 7.75
  • Development Distribution Score (DDS): 0.258
Top Committers
Name Email Commits
Jusong Yu j****u@g****m 23
Marnik Bercx m****x@g****m 13
pre-commit-ci[bot] 6****] 5
Timo Reents 7****s 2
Giovanni Pizzi g****i@e****h 2
Xing Wang x****1@g****m 1
Tushar Thakur 8****r 1
Committer Domains (Top 20 + Academic)
epfl.ch: 1

Issues and Pull Requests

Last synced: 7 months ago

All Time
  • Total issues: 18
  • Total pull requests: 23
  • Average time to close issues: 11 months
  • Average time to close pull requests: 30 days
  • Total issue authors: 4
  • Total pull request authors: 7
  • Average comments per issue: 0.61
  • Average comments per pull request: 0.87
  • Merged pull requests: 20
  • Bot issues: 0
  • Bot pull requests: 7
Past Year
  • Issues: 7
  • Pull requests: 20
  • Average time to close issues: 22 days
  • Average time to close pull requests: 17 days
  • Issue authors: 3
  • Pull request authors: 4
  • Average comments per issue: 0.14
  • Average comments per pull request: 0.95
  • Merged pull requests: 17
  • Bot issues: 0
  • Bot pull requests: 7
View more stats
Top Authors
Issue Authors
  • giovannipizzi (7)
  • unkcpz (5)
  • mbercx (5)
  • superstar54 (1)
Pull Request Authors
  • unkcpz (19)
  • pre-commit-ci[bot] (15)
  • t-reents (3)
  • khsrali (2)
  • superstar54 (2)
  • mbercx (2)
  • giovannipizzi (1)
  • tsthakur (1)
Top Labels
Issue Labels
new (2) improvement (2) documentation (1) bug (1)
Pull Request Labels
pr/blocked (2)

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 639 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 5
  • Total maintainers: 1
pypi.org: aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler

  • Versions: 5
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 639 Last month
Rankings
Dependent packages count: 7.2%
Forks count: 15.6%
Average: 21.3%
Stargazers count: 25.4%
Dependent repos count: 37.0%
Maintainers (1)
mbercx
Last synced: 6 months ago

Dependencies

.github/workflows/cd.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
.github/workflows/ci.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
  • postgres latest docker
  • rabbitmq latest docker
pyproject.toml pypi
  • aiida-core ~=2.0