Simplify CP2K recipe - #27
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gsitaram wants to merge 1 commit into
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This PR contains a simplified Spack-based recipe to build CP2K, adapted for bare metal, Docker, and Singularity builds. I was able to test the bare metal and Singularity builds. It would be great if you could run some tests of all three variants and then if they are successful, accept my PR.
Specifically, this PR: