QuantumESPRESSO 7.4.1 with GPU support (`NVHPC` toolchain)

[boegel]

• link to support ticket: #2025060560001016
• website: https://www.quantum-espresso.org
• installation docs: https://github.com/QEF/q-e/blob/qe-7.4.1/README_GPU.md
• toolchain: NVHPC
• easyblock to use: existing custom easyblock for QuantumESPRESSO (may need changes?)
• required dependencies:
  • (see existing QuantumESPRESSO easyconfigs)
• notes:
  • ...
• effort: (TBD)
• other install methods
  • conda: no
  • container image: no
  • pre-built binaries (RHEL9 Linux x86_64): no
  • easyconfig outside EasyBuild: no

[boegel]

There may be some useful info to harvest for this from:

• {chem}[NVHPC/22.1] QuantumESPRESSO v7.0 w/ CUDA 11.4.1 + nvompic/2021b toolchain definition easybuilders/easybuild-easyconfigs#14908

[lexming]

I'm readying a PR to refactor the NVHPC toolchain, you might want to wait for that.

[boegel]

• make NVHPC a full toolchain with nvidia-compilers, NVHPCX and NVBLAS easybuilders/easybuild-framework#4927
• refactor NVHPC easyblock into NvidiaBase, nvidia-compilers and NVHPC easybuilders/easybuild-easyblocks#3788
• split NVHPC v25 easyconfigs into nvidia-compilers easybuilders/easybuild-easyconfigs#23125

[boegel]

@PetrKralCZ Can you already start playing with this (even without having the PRs merged)?