diff --git a/pkgs/apps/psi4/default.nix b/pkgs/apps/psi4/default.nix index b671bb8f..e678e170 100644 --- a/pkgs/apps/psi4/default.nix +++ b/pkgs/apps/psi4/default.nix @@ -9,7 +9,6 @@ , pkg-config , writeTextFile , cmake -, ninja , perl , gfortran , python @@ -61,6 +60,11 @@ let cmake -Bbuild ${toString specialInstallCmakeFlags} cd build ''; + + postFixup = '' + substituteInPlace $out/share/cmake/CheMPS2/CheMPS2Config.cmake \ + --replace "1.14.1-2" "1.14.1" + ''; }); dkh_ = dkh.overrideAttrs (oldAttrs: rec { @@ -230,10 +234,11 @@ buildPythonPackage rec { "-DENABLE_libefp=ON" # CheMPS2 "-DENABLE_CheMPS2=ON" - # Prefix path for all external packages - "-DCMAKE_PREFIX_PATH=\"${gau2grid};${libxc};${qcelemental};${pcmsolver_};${dkh_};${libefp};${chemps2_};${libecpint};${cppe}\"" + "-DCheMPS2_DIR=${chemps2_}" # ADCC - #"-DENABLE_adcc=ON" + "-DENABLE_adcc=ON" + # Prefix path for all external packages + "-DCMAKE_PREFIX_PATH=\"${gau2grid};${libxc};${qcelemental};${pcmsolver_};${dkh_};${libefp};${chemps2_};${libecpint};${cppe};${adcc}\"" ]; format = "other";