AiiDA Docker stacks

Build images locally

To build the images, run the following command: (tested with docker buildx version v0.8.2)

docker buildx bake -f docker-bake.hcl -f build.json --load

The build system will attempt to detect the local architecture and automatically build images for it (tested with amd64 and arm64).

You can also specify a custom platform with --platform, for example:

docker buildx bake -f docker-bake.hcl -f build.json --set *.platform=linux/amd64 --load

Test built images locally

To test the images, run

TAG=newly-baked python -m pytest -s tests

Trigger a build on ghcr.io and Dockerhub

• Only an open PR to the organization's repository will trigger a build on ghcr.io.
• A push to dockerhub is triggered when making a release on github.