AiiDA containers - aiidateam/aiida-core GitHub Wiki

This is a list of containers / virtual machine setups related to AiiDA and the AiiDAlab

aiidateam/aiida-prerequisites: container with prerequisites for running AiiDA, including postgresql, rabbitmq and python
aiidateam/aiida-core: container with latest aiida-core version ready to use. Starts FROM aiidateam/aiida-prerequisites
aiidateam/aiidalab-docker-stack: AiiDAlab container. Used in the production AiiDAlabs, but can also be used locally. Starts FROM aiidateam/aiida-core
aiidateam/aiida-restapi-container: Container for serving a REST API for an AiiDA profile using an external Postgres server and file repository. Does not start from aiida-core, since postgres/rabbitmq are not needed
aiidateam/aiida-optimade: Container for running an OPTIMADE API for an AiiDA profile. Similar to REST API container.

marvel-nccr.aiida: Sets up AiiDA on Ubuntu, CentOS and Fedora
marvel-nccr.aiidalab: Installs aiidalab python package to use as a user (for Quantum Mobile VM)
marvel-nccr.aiidalab-server: Install AiiDAlab multi-user server using Docker (here is a playbook using it)