1 files changed, 1 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
index b90f073a4f2e..020390737139 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
@@ -45,6 +45,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Electronegativity equilibration model for atomic partial charges";
+    mainProgram = "multicharge";
     license = licenses.asl20;
     homepage = "https://github.com/grimme-lab/multicharge";
     platforms = platforms.linux;