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There you have it. A singularity container that has pandas, numpy, and other machine learning packages already installed, without having to manage a conda environment. Note that mpi4py is missing, and if you’d like to install it, you would need to extend this container. However, it is difficult to do so, since you must build new containers on another computer that you have root access on, like an Ubuntu virtual machine. That is not part of this assignment, but is the next step in understanding and
using Singularity, so if you are looking for more to learn, try modifying this container on a local machine (using the singularity bootstrap command and editing a Singularity file), then copying it back onto ISAAC to verify that it ran.