HPC Infrastructure: Official `Spack` Package Recipe

[jameslehoux]

Labels: ecosystem, deployment, phase:4-hpc
Priority: Medium (Required for Tier-1 Supercomputer deployment)

Description

While our PyPI wheels (openimpala-cuda) and Apptainer containers serve 95% of our users, Tier-1 HPC facility administrators (e.g., EPCC, OLCF, ALCF) require native source builds optimized for their specific network interconnects and bare-metal hardware. The industry standard for this is Spack.

We need to submit an official package recipe to the upstream Spack repository to allow facilities to run spack install openimpala +cuda +mpi +hypre.

Acceptance Criteria

• Write a package.py for OpenImpala utilizing Spack's CMakePackage class.
• Define all dependencies (amrex, hypre, hdf5, pybind11) and their required versions/variants within the recipe.
• Submit a Pull Request to the official spack/spack GitHub repository.
• Document the Spack installation method in docs/user-guide/hpc.md.