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Investigate how to get nvhpc on gh actions gpu runner with pixi #23

@joshkamm

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@joshkamm
  • Check if pixi has recursive source dependencies yet -> not yet but I think I may be able to use a pixi build workspace for managing nvhpc + libcint + SlaterGPU
  • Look up how Nate used wget to grab nvhpc
  • Create pixi-nvhpc-recipe repo in ZimmermanGroup
  • Clone repo
  • Pixi init
  • Start building a pixi build recipe
  • Use recipe source url to download and extract the nvhpc tarball
  • Run nvhpc installation in pixi build recipe script
  • Troubleshoot building the conda package with pixi install
  • Try building inside github action
  • Edit build script if necessary so things are in the places that conda environments expect
  • Write a pixi test task that tries which nvc++ to validate that the installation worked
  • Use great lakes if athena is slow

If I get stuck I could also reach out on the nvidia forum about whether they're interested in supplying nvhpc as a conda package on the nvidia channel

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