Add GROMACS

2025-10-07 09:54:17 +02:00
parent 9d86074f22
commit fc50bf5562
4 changed files with 251 additions and 0 deletions
--- a/overlay.nix
+++ b/overlay.nix
@@ -19,6 +19,7 @@ let
    cudainfo = prev.callPackage ./pkgs/cudainfo/default.nix { };
    #extrae = callPackage ./pkgs/extrae/default.nix { }; # Broken and outdated
    gpi-2 = callPackage ./pkgs/gpi-2/default.nix { };
+    gromacs = callPackage ./pkgs/gromacs/default.nix { enableSYCL = true; };
    intel-apt = callPackage ./pkgs/intel-oneapi/packages.nix { };
    intelPackages_2023 = callPackage ./pkgs/intel-oneapi/2023.nix { };
    intelPackages_2024 = final.intel-apt.hpckit_2024;