diff --git a/pkgs/by-name/op/openmolcas/package.nix b/pkgs/by-name/op/openmolcas/package.nix index b1a12bd32d0c..0c3bde714e77 100644 --- a/pkgs/by-name/op/openmolcas/package.nix +++ b/pkgs/by-name/op/openmolcas/package.nix @@ -23,11 +23,12 @@ # See https://gitlab.com/Molcas/OpenMolcas/-/issues/169 enableMpi ? false, mpi, - globalarrays, + globalarrays-ilp64, }: assert blas-ilp64.isILP64; assert lapack-ilp64.isILP64; +assert enableMpi -> globalarrays-ilp64.isILP64; let boost = boost188; @@ -115,7 +116,7 @@ stdenv.mkDerivation (finalAttrs: { ] ++ lib.optionals enableMpi [ mpi - globalarrays + globalarrays-ilp64 ]; passthru = lib.optionalAttrs enableMpi { inherit mpi; }; @@ -135,7 +136,7 @@ stdenv.mkDerivation (finalAttrs: { (lib.strings.cmakeBool "BUILD_STATIC_LIBS" stdenv.hostPlatform.isStatic) (lib.strings.cmakeBool "BUILD_SHARED_LIBS" (!stdenv.hostPlatform.isStatic)) "-DLINALG=Manual" - (lib.strings.cmakeBool "DGA" enableMpi) + (lib.strings.cmakeBool "GA" enableMpi) (lib.strings.cmakeBool "MPI" enableMpi) ]; @@ -143,7 +144,7 @@ stdenv.mkDerivation (finalAttrs: { cmakeFlagsArray+=("-DLINALG_LIBRARIES=-lblas -llapack") '' + lib.optionalString enableMpi '' - export GAROOT=${globalarrays}; + export GAROOT=${globalarrays-ilp64}; ''; # The Makefile will install pymolcas during the build grrr.