nixpkgs/pkgs/development/libraries/libxc/default.nix
2023-10-02 11:09:26 +02:00

50 lines
1.2 KiB
Nix

{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }:
stdenv.mkDerivation rec {
pname = "libxc";
version = "6.2.2";
src = fetchFromGitLab {
owner = "libxc";
repo = "libxc";
rev = version;
hash = "sha256-JYhuyW95I7Q0edLIe7H//+ej5vh6MdAGxXjmNxDMuhQ=";
};
# Timeout increase has already been included upstream in master.
# Check upon updates if this can be removed.
postPatch = ''
substituteInPlace testsuite/CMakeLists.txt \
--replace "PROPERTIES TIMEOUT 1" "PROPERTIES TIMEOUT 30"
'';
outputs = [ "out" "dev" ];
nativeBuildInputs = [ perl cmake gfortran ];
preConfigure = ''
patchShebangs ./
'';
cmakeFlags = [
"-DENABLE_FORTRAN=ON"
"-DBUILD_SHARED_LIBS=ON"
"-DENABLE_XHOST=OFF"
# Force compilation of higher derivatives
"-DDISABLE_VXC=0"
"-DDISABLE_FXC=0"
"-DDISABLE_KXC=0"
"-DDISABLE_LXC=0"
];
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 = platforms.unix;
maintainers = with maintainers; [ markuskowa ];
};
}