Back in January 2017 I wrote a blog post about running Singularity on Comet.

I recently needed to update all my container images to the latest scientific python packages, so I also took the opportunity to create both a Docker auto-build repository on DockerHub and a SingularityHub image.

Those images have a working MPI installation which has the same MPI version of Comet so they can be used as a base for MPI programs.

The Docker image is based on the Jupyter Datascience notebook, therefore has Python, R and Julia. the Singularity image on SingularityHub has instead only Python. Anyway singularity pull also works with Docker containers, so also the Docker container can easily be turned into a singularity container.