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{ stdenv, fetchurl, symlinkJoin, gfortran, perl, procps
, libyaml, libxc, fftw, openblas, gsl, netcdf, arpack
}:
let
version = "8.2";
fftwAll = symlinkJoin { name ="ftw-dev-out"; paths = [ fftw.dev fftw.out ]; };
in stdenv.mkDerivation {
name = "octopus-${version}";
src = fetchurl {
url = "http://www.tddft.org/programs/octopus/down.php?file=${version}/octopus-${version}.tar.gz";
sha256 = "0z74q17lzyga44m5pbsr1hmq12ly96y44pcz7glfvc4vbaq3jd8p";
};
nativeBuildInputs = [ perl procps fftw.dev ];
buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out netcdf arpack ];
configureFlags = [
"--with-yaml-prefix=${libyaml}"
"--with-blas=-lopenblas"
"--with-lapack=-lopenblas"
"--with-fftw-prefix=${fftwAll}"
"--with-gsl-prefix=${gsl}"
"--with-libxc-prefix=${libxc}"
];
doCheck = false;
checkTarget = "check-short";
postPatch = ''
patchShebangs ./
'';
postConfigure = ''
patchShebangs testsuite/oct-run_testsuite.sh
'';
enableParallelBuilding = true;
meta = with stdenv.lib; {
description = "Real-space time dependent density-functional theory code";
homepage = http://octopus-code.org;
maintainers = with maintainers; [ markuskowa ];
license = licenses.gpl2;
platforms = [ "x86_64-linux" ];
};
}
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