diff --git a/pkgs/applications/science/chemistry/octopus/default.nix b/pkgs/applications/science/chemistry/octopus/default.nix index 1927950c4fc4..732e97b9b095 100644 --- a/pkgs/applications/science/chemistry/octopus/default.nix +++ b/pkgs/applications/science/chemistry/octopus/default.nix @@ -1,6 +1,10 @@ { lib, stdenv, fetchFromGitLab, gfortran, perl, procps , libyaml, libxc, fftw, blas, lapack, gsl, netcdf, arpack, autoreconfHook , python3 +, enableFma ? stdenv.hostPlatform.fmaSupport +, enableFma4 ? stdenv.hostPlatform.fma4Support +, enableAvx ? stdenv.hostPlatform.avx2Support +, enableAvx512 ? stdenv.hostPlatform.avx512Support }: assert (!blas.isILP64) && (!lapack.isILP64); @@ -35,14 +39,18 @@ stdenv.mkDerivation rec { (python3.withPackages (ps: [ ps.pyyaml ])) ]; - configureFlags = [ + configureFlags = with lib; [ "--with-yaml-prefix=${libyaml}" "--with-blas=-lblas" "--with-lapack=-llapack" "--with-fftw-prefix=${fftw.dev}" "--with-gsl-prefix=${gsl}" "--with-libxc-prefix=${libxc}" - ]; + "--enable-openmp" + ] ++ optional enableFma "--enable-fma3" + ++ optional enableFma4 "--enable-fma4" + ++ optional enableAvx "--enable-avx" + ++ optional enableAvx512 "--enable-avx512"; doCheck = false; checkTarget = "check-short";