https://github.com/aiidateam/aiida_docker_compose

Some examples of docker-compose configurations to start automatically AiiDA and all related services.

https://github.com/aiidateam/aiida_docker_compose

Science Score: 23.0%

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
  • DOI references
  • Academic publication links
  • Committers with academic emails
    3 of 7 committers (42.9%) from academic institutions
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (7.2%) to scientific vocabulary

Keywords from Contributors

aiida computational-science data-provenance provenance scheduler ssh workflow-engine workflows quantum-espresso
Last synced: 11 months ago · JSON representation

Repository

Some examples of docker-compose configurations to start automatically AiiDA and all related services.

Basic Info
  • Host: GitHub
  • Owner: aiidateam
  • Language: Shell
  • Default Branch: develop
  • Size: 1.19 MB
Statistics
  • Stars: 0
  • Watchers: 6
  • Forks: 9
  • Open Issues: 2
  • Releases: 0
Created over 9 years ago · Last pushed almost 7 years ago
Metadata Files
Readme

README.md

aiidadockercompose

This repository contains some examples of docker-compose configurations to

  • create Docker images specific to a given code and plugin

  • start automatically AiiDA and all related services

  • run some basic tests to check functionality

Learning more

Read the README files in each folder, or look at what Travis does at each test (in the .travis.yml file).

As an example, the test-aiida-qepw folder contains an example that builds a full system with quantum espresso, runs a simple test with pw.x, and performs a basic check to verify if the result is the expected one.

Now also a basic test (just multiplying a number by two, with minimal dependencies) and a test for Siesta are present.

Repository location

https://github.com/aiidateam/aiidadockercompose

Owner

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

The development team of AiiDA

GitHub Events

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Last synced: over 1 year ago

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  • Total Commits: 51
  • Total Committers: 7
  • Avg Commits per committer: 7.286
  • Development Distribution Score (DDS): 0.353
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  • Commits: 0
  • Committers: 0
  • Avg Commits per committer: 0.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Giovanni Pizzi g****i@e****h 33
Alberto Garcia a****g@i****s 6
Bonan Zhu b****0@c****k 4
Leopold Talirz l****z@g****m 3
Ole Schuett o****t@e****h 3
Spyros Zoupanos s****s@e****h 1
Sebastiaan Huber m****l@s****t 1
Committer Domains (Top 20 + Academic)

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Last synced: over 1 year ago

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  • Total issues: 0
  • Total pull requests: 0
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  • Average time to close pull requests: N/A
  • Total issue authors: 0
  • Total pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
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