1 files changed, 1 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/nwchem/default.nix b/nixpkgs/pkgs/applications/science/chemistry/nwchem/default.nix
index a7d9462a7fbd..61266a9f0285 100644
--- a/nixpkgs/pkgs/applications/science/chemistry/nwchem/default.nix
+++ b/nixpkgs/pkgs/applications/science/chemistry/nwchem/default.nix
@@ -208,6 +208,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Open Source High-Performance Computational Chemistry";
+    mainProgram = "nwchem";
     platforms = [ "x86_64-linux" ];
     maintainers = with maintainers; [ sheepforce markuskowa ];
     homepage = "https://nwchemgit.github.io";