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PawseySC / pawsey-spack-config

Automated deployment system for the scientific software stack in use at Pawsey
BSD 3-Clause "New" or "Revised" License
4 stars 9 forks source link

Adds amber gpu recipe. #270

Closed dipietrantonio closed 4 months ago

dipietrantonio commented 5 months ago

This is the recipe I used to install amber gpu on Setonix. Craig tested the installation successfully.

dipietrantonio commented 4 months ago

@ddeeptimahanti I did install it on the GPU node. I will fix line 14, but I would not touch those CMAKE options as they are what I found in the example amber build script. This script is more to have a documented process that worked.

I will start working on a Spack recipe for amber 24.