Add gromacs

2025-10-07 09:54:17 +02:00
parent 15a1014280
commit 81c4a9f9b7
4 changed files with 250 additions and 0 deletions
--- a/overlay.nix
+++ b/overlay.nix
@@ -66,6 +66,8 @@ let
    tasycl-acpp = callPackage ./pkgs/tasycl/default.nix { useIntel = false; };
    upc-qaire-exporter = prev.callPackage ./pkgs/upc-qaire-exporter/default.nix { };
    wxparaver = callPackage ./pkgs/paraver/default.nix { };
+
+    gromacs = callPackage ./pkgs/gromacs/default.nix { enableSYCL = true; };
  };

  tests = rec {