A simple recipe to create an apptainer image for the CQ Dev project
Add a folder src with a git clone of cq inside.
.
├── build.sh
├── image
└── src
└── chronusq_dev
Modify the git checkout branch in image file.
See run.sh on how to execute the calculations
apptainer exec cq.sif chronusq -i test.inp
This is a no MPI build though I plan to add MPI support once I need it. Interestingly adding MPI support through a container incurs no (or nearly no) overhead (see https://www.youtube.com/watch?v=oMEQGEUauwQ).
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