AIIDA Plugins

An OTEAPI Plugin with OTE strategies.

Test the plugin

There are two ways of testing this plugin: unit testing or end-to-end testing.

Unit tests

To run the unit tests, checking that all the Python code functionality works as intended, one needs to first install the development requirements:

cd /path/to/oteapi-aiida
pip install -U -e .[dev]

Then one can run the tests through the pytest framework:

pytest

End-to-end testing

Here, end-to-end means using OTElib to initialize an OTEClient pointing at a running REST API service, similar to the one created by OTEAPI Services, and setting up a pipeline that utilizes the strategies from this plugin.

In order to test this locally, one requires Docker Compose. Then, one can setup a local REST API service that includes this plugin and test it with the following commands:

docker-compose -f docker-compose.yml pull  # Download the latest container images
docker-compose -f docker-compose.yml up  # Run the services

This will start the service and take over the terminal, printing log messages from all the services started through the docker-compose.yml file. If one instead wishes to keep that terminal available, or only show the logs relevant for the oteapi service, one can do:

docker-compose -f docker-compose.yml up -d  # Run the services detached

# Show logs and give back terminal
docker logs oteapi-aiida-oteapi-1

# Show logs and follow them live
docker logs -f oteapi-aiida-oteapi-1

Now, one can instantiate an otelib.OTEClient with "http://localhost:8080" (or using the PORT environment variable value instead of 8080 if it has been set) and test the strategies by supplying the correct configuration values.

Note, remember to update setup.cfg to list the plugin strategies - otherwise they will not be findable by the OTEAPI service.

License and copyright

Acknowledgment

AIIDA Plugins has been created via the cookiecutter template for OTEAPI plugins.

AIIDA Plugins has been supported by the following projects: