diff --git a/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix b/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
index 1310bf160d8b..7b84749d9552 100644
--- a/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
+++ b/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
@@ -24,13 +24,13 @@ assert (
 
 stdenv.mkDerivation rec {
   pname = "simple-dftd3";
-  version = "1.3.2";
+  version = "1.4.0";
 
   src = fetchFromGitHub {
     owner = "dftd3";
     repo = "simple-dftd3";
     tag = "v${version}";
-    hash = "sha256-h9KFqZOfH7c7hntfL/C5WG9HVof64O4U1BNCCOuQhpA=";
+    hash = "sha256-Bv+N9/dQVpSglt/54ay6mt4kRhu4klMTp7+sRP1bP80=";
   };
 
   patches = [