Merge pull request #1166 from casparvl/rebuild_gromacs

Rebuild GROMACS for cuda sanity check

Author: ocaisa

easystacks/software.eessi.io/2023.06/accel/nvidia/rebuilds/20250828-eb-5.1.1-rebuild-GROMACS-for-cuda-sanity-check.yml

@@ -0,0 +1,10 @@
+# We'll rebuild all CUDA software, for various reasons
+# 1. We now have a proper CUDA sanity check, and if anything was 'wrong' with our current CUDA installs, we'd like
+# to know about it
+# 2. The PR implementing a CI to check for differences between officially supported CUDA Compute Capabilities shows
+# that there are a lot of missing installations https://github.com/EESSI/software-layer/pull/1087 . A rebuild PR like
+# this will have the convenient side effect of filling all those holes
+easyconfigs:
+  - GROMACS-2024.4-foss-2023b-CUDA-12.4.0.eb:
+      options:
+        cuda-sanity-check-accept-missing-ptx: True