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- 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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