37 lines
844 B
Nix
37 lines
844 B
Nix
{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
|
|
|
|
stdenv.mkDerivation rec {
|
|
pname = "libxc";
|
|
version = "5.1.5";
|
|
|
|
src = fetchFromGitLab {
|
|
owner = "libxc";
|
|
repo = "libxc";
|
|
rev = version;
|
|
sha256 = "0cy3x2zn1bldc5i0rzislfbc8h4nqgds445jkfqjv0d1shvdy0zn";
|
|
};
|
|
|
|
buildInputs = [ gfortran ];
|
|
nativeBuildInputs = [ perl cmake ];
|
|
|
|
preConfigure = ''
|
|
patchShebangs ./
|
|
'';
|
|
|
|
cmakeFlags = [ "-DENABLE_FORTRAN=ON" "-DBUILD_SHARED_LIBS=ON" ];
|
|
|
|
preCheck = ''
|
|
export LD_LIBRARY_PATH=$(pwd)
|
|
'';
|
|
|
|
doCheck = true;
|
|
|
|
meta = with lib; {
|
|
description = "Library of exchange-correlation functionals for density-functional theory";
|
|
homepage = "https://www.tddft.org/programs/Libxc/";
|
|
license = licenses.mpl20;
|
|
platforms = [ "x86_64-linux" ];
|
|
maintainers = with maintainers; [ markuskowa ];
|
|
};
|
|
}
|