48 lines
1.2 KiB
Nix
48 lines
1.2 KiB
Nix
{ stdenv, fetchurl, symlinkJoin, gfortran, perl, procps
|
|
, libyaml, libxc, fftw, openblas, gsl
|
|
}:
|
|
|
|
let
|
|
version = "7.2";
|
|
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-${version}.tar.gz";
|
|
sha256 = "03zzmq72zdnjkhifbmlxs7ig7x6sf6mv8zv9mxhakm9hzwa9yn7m";
|
|
};
|
|
|
|
nativeBuildInputs = [ perl procps fftw.dev ];
|
|
buildInputs = [ libyaml gfortran libxc openblas gsl fftw.out ];
|
|
|
|
configureFlags = ''
|
|
--with-yaml-prefix=${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
|
|
'';
|
|
|
|
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" ];
|
|
};
|
|
}
|