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Use `spack` to install packages in `singularity` image #21

Open SorooshMani-NOAA opened 1 year ago

SorooshMani-NOAA commented 1 year ago

Specifically since different openmpi versions are installed on different machines, maybe it makes sense to use specific versions using spack instead of relying on apt version of openmpi.

SorooshMani-NOAA commented 1 year ago

One thing to note based on spack documentation is that it's better usually to use HPC provided mpi (see https://spack.readthedocs.io/en/latest/getting_started.html#mpi) which means binding system paths and libraries and building the image on each system separately. However that's not possible since building singularity images require sudo access which we don't have on a normal HPC environment!

SorooshMani-NOAA commented 1 year ago

I was able to setup an empty (no schism yet) singularity image with spack installing compilers and ompi (still learning) following: https://spack.readthedocs.io/en/latest/containers.html