Summary

• This PR:
  • Refactors our package management system for python packages in the Spheral build pipeline.
  • Moves Spheral CI off of BlueOS/NVIDA systems and adds support for CRAY/AMD

PIP Runtime Dependencies

Spheral +python variant

• The spheral spack package will default to +python. This will add python as a dependency for building spheral. It will also enable +python for polytope.
• We no longer need any of our pip package dependencies in spack.
  • Reduces Docker TPL builds from ~60 min to ~30.

Build Time Deps

• We still need spack to manage Python for us but it can be passed as an external.
• Using the new Spheral_Python_Env function we build a virtual environment target in the build tree with dependencies listed in build-requirements.txt. All pybind11 code and documentation is generated from this environment.
• docs-requirements.txt is added to the environment when ENABLE_DOCS=On.

Runtime Deps

• Using the same Spheral_Python_Env function we can generate a Virtual Env in the Install directory from runtime-requirements.txt.
• spheral-setup-venv now only needs to copy the installed Spheral libraries into the environment at install time.

The python_build_env and python_runtime_env targets are built and installed only one time in a build tree. Stamp files are created to ensure pip isn't re-run on every make.

Caching Builds for LC

We have pip cache to a local directory ~/.cache/spheral_pip/. This directory can be overridden with SPHERAL_PIP_CACHE_DIR.

• ATS has been added as a submodule as they do not provide a proper pypi package, so we must treat it as a local repo install through pip requirements.

CRAY AMD

Due to issues with pip dependencies being unsupported on BlueOS systems this PR requires us to make the switch over to CRAY/AMD.

• HIP support has been added for our device/offload tests.
• TPLs have been updated to versions that support a HIP enabled build.
• CHAI Changes for HIP Support have been added.
• Gitlab CI and script changes for executing under a flux scheduling system.

ToDo :

• Annotate RELEASE_NOTES.md with notable changes.
• Create LLNLSpheral PR pointing at this branch. (PR#123)
• LLNLSpheral PR has passed all tests.
• Merge Virtual Env Support PYB11Generator#10 and update submodule