Using the Container

Invoking a shell inside the container

To invoke a shell session inside the container:

# Docker command
docker run -it immcantation/suite:4.5.0 bash

# Singularity command
singularity shell immcantation_suite-4.5.0.sif

Sharing files with the container

Sharing files between the host operating system and the container requires you to bind a directory on the host to one of the container’s mount points using the -v argument for docker or the -B argument for singularity. There are four available mount points defined in the container:

/data
/scratch
/software
/oasis

For example, to invoke a shell session inside the container with $HOME/project mounted to /data:

# Docker command
docker run -it -v $HOME/project:/data:z immcantation/suite:4.5.0 bash

# Singularity command
singularity shell -B $HOME/project:/data immcantation_suite-4.5.0.sif

Note, the :z in the -v argument of the docker command is essential.

Executing a specific command

After invoking an interactive session inside the container, commands can be executed in the container shell as they would be executed in the host shell.

Alternatively, it is possible to execute a specific command directly inside the container without starting an interactive session. The next example demonstrates how to execute ls within $HOME/project mounted to /data:

# Docker command
docker run -v $HOME/project:/data:z immcantation/suite:4.5.0 ls /data

# Singularity command
singularity exec -B $HOME/project:/data immcantation_suite_|docker-version|.sif ls /data

Inspecting the container components

The container includes three informational scripts that provide details about the versions of installed software and available pipelines.

  • The versions report command will inspect the installed software versions and print them to standard output.

  • The analogous builds report command will display the build date and changesets used during the image build. This is particularly relevant if you are using the immcantation/suite:devel development builds.

  • Finally, the pipelines report command will display a list of available example pipelines included in the container.

Each command can be run using:

# Docker command
docker run immcantation/suite:4.5.0 [command]

# Singularity command
singularity exec immcantation_suite_|docker-version|.sif [command]

Using the container for tutorials

If you would like to run and interact with the .Rmd tutorials from your Docker container, run the following command (replace devel with a release version if applicable):

docker run -it --rm -p 8787:8787 -e PASSWORD=immcantation immcantation/lab:devel

You can change the password to another of your choice. Note that in the container, RStudio uses the default port 8787.

Once the container is running, visit the url http://localhost:8787 to launch RStudio. Use user magus and the password you provided in the previous command.

Immcantation lab startup

The folder notebooks contains .Rmd tutorials that can be executed in the container. You can open one of the .Rmd files, set the working directory to ~notebooks, and knit the tutorial or start running chunks.

.Rmd notebooks

Note: If you want to save the results locally in your computer, you need to bind the folder where you want to save the results to (<my-out-dir>), and the results folder in the container.

# change my-out-dir to the local directory where you want to have the results saved to
docker run -it --rm \
-v <my-out-dir>:/home/magus/notebooks/results:z \
-p 8787:8787 immcantation/lab:devel