For deployment on high performance computing (HPC) systems it would be useful to provide a model wrapper class for running NESO installed in a Singularity container rather than just the current options of running from NESO installed natively or in a Docker container. Singularity is better suited for use on HPC systems and as Docker images can easily be loaded as a Singularity container this should relatively easy to implement, just requiring some updates to the shell command used to execute the model subprocess.
For deployment on high performance computing (HPC) systems it would be useful to provide a model wrapper class for running NESO installed in a Singularity container rather than just the current options of running from NESO installed natively or in a Docker container. Singularity is better suited for use on HPC systems and as Docker images can easily be loaded as a Singularity container this should relatively easy to implement, just requiring some updates to the shell command used to execute the model subprocess.