CI, CMake: foss-mpi-full
Description
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Add CMake job for foss-mpi-full -
Compare results and runtime -
Disable corresponding autotools job
Presets
Fix MPI preset: DFTB+ was disabled in all MPI jobs for no good reason. It only needs to be disabled in OpenMP jobs. I have updated the preset accordingly and will disable DFTB+ in the MPI+OpenMP job in the relevant MR after rebasing onto this one (once it is merged to main).
Checklist
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I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Edited by Martin Lang