Portability

Added support to compile GROMACS using AMD HIP as GPU backend

It is now possible to use AMD HIP directly as the GPU backend to run simulations on AMD devices. For now only the NBNxM kernels are can be offloaded to the device using this backend.

Issue 4947

Added support for the oneMKL interface library for GPU FFTs

This enables cross-vendor support for GPU FFTs to the GROMACS SYCL backend. Either cuFFT or rocFFT can now be used with Intel DPC++ and Codeplay’s plugins for NVIDIA and AMD GPUs.

Issue 4744

Update of required CMake version

Updated required CMake version to 3.28

Issue 5014