1 files changed, 1 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/qcengine/default.nix b/nixpkgs/pkgs/development/python-modules/qcengine/default.nix
index c1464c233a93..7c572c98ea76 100644
--- a/nixpkgs/pkgs/development/python-modules/qcengine/default.nix
+++ b/nixpkgs/pkgs/development/python-modules/qcengine/default.nix
@@ -42,6 +42,7 @@ buildPythonPackage rec {
 
   meta = with lib; {
     description = "Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry";
+    mainProgram = "qcengine";
     homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/";
     license = licenses.bsd3;
     maintainers = with maintainers; [ sheepforce ];