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dftd3: switch to maintainer, more readable and clearly licensed fork
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dftd3: remove unused patch
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sheepforce committed Jan 20, 2022
1 parent 16b083a commit fa9167c
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Showing 2 changed files with 12 additions and 37 deletions.
13 changes: 0 additions & 13 deletions pkgs/apps/dft-d3/Linking.patch

This file was deleted.

36 changes: 12 additions & 24 deletions pkgs/apps/dft-d3/default.nix
Original file line number Diff line number Diff line change
@@ -1,41 +1,29 @@
{ lib, stdenv, fetchurl, gfortran } :
{ lib, stdenv, fetchFromGitHub, gfortran } :

stdenv.mkDerivation rec {
pname = "dft-d3";
version = "3.2rev0";
pname = "dftd3-lib";
version = "0.10"; # Equivalent to 3.2rev0 of the original

nativeBuildInputs = [ gfortran ];

src = fetchurl {
url = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dftd3.tgz";
sha256 = "0n8gi0raz8rik1rkd4ifq43wxs56ykxlhm22hpyq3ak1ixszjz6r";
src = fetchFromGitHub {
owner = "dftbplus";
repo = pname;
rev = version;
hash = "sha256-lda0eEb/QoMG2Sb1/VhJSr+fJcu2wvy1hqw+rVDhe2w=";
};

unpackPhase = ''
tar -xvf $src
'';

# Using gfortran for linking instead of ifort
patches = [
./Linking.patch
];

dontConfigure = true;


installPhase = ''
mkdir -p $out/bin
cp -p dftd3 $out/bin
cp prg/dftd3 $out/bin/.
'';

hardeningDisable = [
"format"
];
hardeningDisable = [ "format" ];

meta = with lib; {
description = "Dispersion correction for DFT";
homepage = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/get-the-current-version-of-dft-d3";
homepage = "https://github.com/dftbplus/dftd3-lib";
platforms = platforms.unix;
license = licenses.unfree;
license = licenses.gpl1;
};
}

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