AiiDA Prerequisites
This repository adds PostgreSQL and RabbitMQ servers on top of phusion base image. Additionally, it creates a system profile ready to setup AiiDA under it.
Docker image
The docker image:
- Is based on phusion base image.
- Installs and launches PostgreSQL for $SYSTEM_USER.
- Installs and launches RabbitMQ.
- Configures Linux environment for $SYSTEM_USER.
Wait for services
The image provides a mechanism to wait until the startup script has launched all services. Example of usage:
$ docker exec --tty $DOCKERID wait-for-servicesThis command will exit when all startup scripts are done. Note, however, that the mechanism does not check that all services are actually running.
Docker ARGs
The the following arguments can be set during build time:
ARG NB_USER="aiida"
ARG NB_UID="1000"
ARG NB_GID="1000"These define the default user name, user id and group id for containers launched from the image. To modify their value do the following:
$ docker build --build-arg NB_UID=200Docker ENVs
The following environment variables can be set during container startup:
ENV SYSTEM_USER ${NB_USER}
ENV SYSTEM_USER_UID ${NB_UID}
ENV SYSTEM_USER_GID ${NB_GID}To modify their value do the following:
docker run -e SYSTEM_USER=aiida2Docker Hub repository
The docker image is built automatically on Docker Hub once new changes are pushed to the master or develop branches of this repository.
The master branch is available under the docker tag stable, while the develop branch is available under the docker tag latest.
In addition, any git tag pushed to the repository (say v1.0.1) will trigger a build on Docker Hub with the same docker tag without 'v' prefix (1.0.1).
All the images are available following this link: https://hub.docker.com/r/aiidateam/aiida-prerequisites
Acknowledgements
This work is supported by the MARVEL National Centre of Competence in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.
