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Support building for GPUs in Singularity definition fileΒ #489

@nikosavola

Description

@nikosavola

The singularity/singularity.def definition file does not support GPUs right now.
Apptainer itself does support CUDA and ROCm with special flags that need to be used when running.

Suggestion

Add something like optional arguments PALACE_WITH_CUDA, PALACE_WITH_HIP, PALACE_WITH_GPU_AWARE_MPI to the definition file, see Apptainer -> %arguments. Corresponding if checks should be added for installing the compilers.

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