Support for CUDA MPI build

[xiki-tempula]

Comment:

So we have MPI build, we have cuda build but we don't have the cuda MPI build. I wonder why do we not have this combination? Is it like we tried to build it but failed or it is just no one bothered to do this? Thanks.

[mattwthompson]

Probably nobody had tried before you

[xiki-tempula]

@mattwthompson Do you know where is cuda related thing being configured?
They are not in https://github.com/conda-forge/gromacs-feedstock/blob/main/recipe/conda_build_config.yaml
or https://github.com/conda-forge/gromacs-feedstock/blob/main/recipe/meta.yaml?

[mattwthompson]

I don't know, but my best guess is that the build script is relevant

https://github.com/conda-forge/gromacs-feedstock/blob/main/recipe/build.sh

Also https://conda-forge.org/docs/maintainer/knowledge_base.html#cuda-builds