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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

Setonix custom amber #209

Closed pelahi closed 5 months ago

pelahi commented 1 year ago

Updates the modules produced to add arpack-ng and then has script that defines bash functions to install amber.

dipietrantonio commented 1 year ago

We should think about merging our two scripts somehow: https://gist.github.com/dipietrantonio/1f2755ae46c4b6119d2b1c540843c159

ddeeptimahanti commented 1 year ago

@pelahi , arpack-ng is a hidden module on Setonix

ddeeptimahanti@setonix-01:~> module --show_hidden av arpack

----------------------------- /software/setonix/2023.08/modules/zen3/gcc/12.2.0/dependencies -----------------------------
   .arpack-ng/3.8.0-fz75dzy (H)

You need to change systems/setonix/custom/amber_22_custom.sh script to load it correctly

pelahi commented 1 year ago

arpack-ng shouldn't be though (as is used by other packages and useful for custom builds). Hence the update to the yamls file. Does mean we'll need to manually tweak the config but that is fine and rebuild the module for arpack-ng. The PR is fine though since it has the update with the recipe.