The Dockerfile was created with golem::add_dockerfile(). This generates a Dockerfile with install commands for (almost) all R packages. The generated Dockerfile was used as basis to create the final Dockerfile.
Packages added manually:
To create the python environment a small R script was developed (based on installation instruction of omicser). This file is copied into the container and executed during build of the container.
To make sure the correct python environment is used, an .Renviron file was created which uses an environment from reticulate to force the correct python environment. The .Renviron file is copied and copied to the correct location during build of the container.
The omicser app needs a config file (app_config.yml) to run. For now a config file is already prepared and copied into the container and copied to the correct location. In the app_config.yml you need the database names set correctly for your system. The other parameters you should not need to change!
The current setup leaves the database files outside the container. During start up of the container the location of the database files need to be coupled to the database folder inside the container.