mirror of
https://github.com/NixOS/nixpkgs.git
synced 2026-09-28 10:50:15 +00:00
82 lines
1.7 KiB
Nix
82 lines
1.7 KiB
Nix
{
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lib,
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stdenv,
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fetchFromGitLab,
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fetchpatch,
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cmake,
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gfortran,
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perl,
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version ? "6.2.2",
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}:
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let
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versionHashes = {
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"6.2.2" = "sha256-JYhuyW95I7Q0edLIe7H//+ej5vh6MdAGxXjmNxDMuhQ=";
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"7.0.0" = "sha256-mGyGtKDurOrSS0AYrtwhF62pJGPBLbPPNBgFV7fyyug=";
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};
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in
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stdenv.mkDerivation rec {
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pname = "libxc";
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inherit version;
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src = fetchFromGitLab {
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owner = "libxc";
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repo = "libxc";
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rev = version;
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hash = versionHashes."${version}";
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};
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patches = [
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# Fix build with newer CMake versions
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(fetchpatch {
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url = "https://gitlab.com/libxc/libxc/-/commit/450202adb8a3d698841dca853f2999b1befd932e.patch";
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sha256 = "sha256-XDt7+TzszSu+X6/PS+T8Q9BP76+bAXC9FzkA6ueo/OA=";
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})
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];
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# Timeout increase has already been included upstream in master.
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# Check upon updates if this can be removed.
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postPatch = ''
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substituteInPlace testsuite/CMakeLists.txt \
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--replace "PROPERTIES TIMEOUT 1" "PROPERTIES TIMEOUT 30"
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'';
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outputs = [
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"out"
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"dev"
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];
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nativeBuildInputs = [
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perl
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cmake
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gfortran
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];
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preConfigure = ''
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patchShebangs ./
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'';
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cmakeFlags = [
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"-DENABLE_FORTRAN=ON"
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"-DBUILD_SHARED_LIBS=ON"
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"-DENABLE_XHOST=OFF"
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# Force compilation of higher derivatives
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"-DDISABLE_VXC=0"
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"-DDISABLE_FXC=0"
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"-DDISABLE_KXC=0"
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"-DDISABLE_LXC=0"
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];
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doCheck = true;
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meta = {
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description = "Library of exchange-correlation functionals for density-functional theory";
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mainProgram = "xc-info";
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homepage = "https://www.tddft.org/programs/Libxc/";
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license = lib.licenses.mpl20;
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platforms = lib.platforms.unix;
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maintainers = with lib.maintainers; [ markuskowa ];
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};
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}
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