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aiida-testing

A pytest plugin to simplify testing of AiiDA plugins. This package implements two ways of running an AiiDA calculation in tests:

  • mock_code: Implements a caching layer at the level of the executable called by an AiiDA calculation. This tests the input generation and output parsing, which is useful when testing calculation and parser plugins.
  • export_cache: Implements an automatic export / import of the AiiDA database, to enable AiiDA - level caching in tests. This circumvents the input generation / output parsing, making it suitable for testing higher-level workflows.

For more information, see the documentation.