diff --git a/modules/packages/lammps.nix b/modules/packages/lammps.nix
new file mode 100644
index 00000000..2c7d6707
--- /dev/null
+++ b/modules/packages/lammps.nix
@@ -0,0 +1,25 @@
+inputs:
+{
+  options.nixos.packages.lammps = let inherit (inputs.lib) mkOption types; in mkOption
+  {
+    type = types.nullOr (types.submodule {});
+    default = if inputs.config.nixos.system.gui.enable then {} else null;
+  };
+  config = let inherit (inputs.config.nixos.packages) lammps; in inputs.lib.mkIf (lammps != null)
+  {
+    nixos.packages.packages._packages =
+      let cuda = let inherit (inputs.config.nixos.system.nixpkgs) cuda; in cuda.enable && cuda.capabilities != null;
+      in
+        if cuda then [((inputs.pkgs.lammps-mpi.override { stdenv = inputs.pkgs.cudaPackages.backendStdenv; })
+          .overrideAttrs (prev:
+          {
+            cmakeFlags = prev.cmakeFlags ++ inputs.lib.optionals cuda
+            [
+              "-DPKG_GPU=on" "-DGPU_API=cuda" "-DCMAKE_POLICY_DEFAULT_CMP0146=OLD"
+            ];
+            nativeBuildInputs = prev.nativeBuildInputs ++ inputs.lib.optionals cuda
+              [ inputs.pkgs.cudaPackages.cudatoolkit ];
+          }))]
+        else [ inputs.pkgs.lammps-mpi ];
+  };
+}