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aiida_docker_compose

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/aiida_docker_compose