50 lines
1.3 KiB
Nix
50 lines
1.3 KiB
Nix
{ stdenv, fetchurl, symlinkJoin, gfortran, perl, procps
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, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack
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}:
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let
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version = "8.4";
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fftwAll = symlinkJoin { name ="ftw-dev-out"; paths = [ fftw.dev fftw.out ]; };
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in stdenv.mkDerivation {
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name = "octopus-${version}";
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src = fetchurl {
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url = "http://www.tddft.org/programs/octopus/down.php?file=${version}/octopus-${version}.tar.gz";
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sha256 = "1fx5ssnf65b9ld7xs9rvvg8i80pblxpyhqkir0a7xshkk1g60z55";
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};
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nativeBuildInputs = [ perl procps fftw.dev ];
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buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out netcdf arpack ];
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configureFlags = [
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"--with-yaml-prefix=${libyaml}"
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"--with-blas=-lopenblas"
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"--with-lapack=-lopenblas"
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"--with-fftw-prefix=${fftwAll}"
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"--with-gsl-prefix=${gsl}"
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"--with-libxc-prefix=${libxc}"
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];
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doCheck = false;
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checkTarget = "check-short";
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postPatch = ''
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patchShebangs ./
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'';
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postConfigure = ''
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patchShebangs testsuite/oct-run_testsuite.sh
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'';
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enableParallelBuilding = true;
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meta = with stdenv.lib; {
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description = "Real-space time dependent density-functional theory code";
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homepage = http://octopus-code.org;
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maintainers = with maintainers; [ markuskowa ];
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license = licenses.gpl2;
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platforms = [ "x86_64-linux" ];
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};
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}
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