diff options
Diffstat (limited to 'nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix')
-rw-r--r-- | nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix | 10 |
1 files changed, 5 insertions, 5 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix b/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix index 9d7880f57df5..c053c0a09cdf 100644 --- a/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix +++ b/nixpkgs/pkgs/applications/science/chemistry/siesta/default.nix @@ -1,5 +1,5 @@ { stdenv, fetchurl -, gfortran, openblas +, gfortran, blas, lapack , mpi ? null, scalapack }: @@ -16,7 +16,7 @@ stdenv.mkDerivation { inherit mpi; }; - buildInputs = [ openblas gfortran ] + buildInputs = [ blas lapack gfortran ] ++ (stdenv.lib.optionals (mpi != null) [ mpi scalapack ]); enableParallelBuilding = true; @@ -33,11 +33,11 @@ stdenv.mkDerivation { makeFlagsArray=( CC="mpicc" FC="mpifort" FPPFLAGS="-DMPI" MPI_INTERFACE="libmpi_f90.a" MPI_INCLUDE="." - COMP_LIBS="" LIBS="-lopenblas -lscalapack" + COMP_LIBS="" LIBS="-lblas -llapack -lscalapack" ); '' else '' makeFlagsArray=( - COMP_LIBS="" LIBS="-lopenblas" + COMP_LIBS="" LIBS="-lblas -llapack" ); ''; @@ -61,7 +61,7 @@ stdenv.mkDerivation { matching the quality of other approaches, such as plane-wave and all-electron methods. ''; - homepage = https://www.quantum-espresso.org/; + homepage = "https://www.quantum-espresso.org/"; license = licenses.gpl2; platforms = [ "x86_64-linux" ]; maintainers = [ maintainers.costrouc ]; |