Commit 1642cac9 authored by April Schleck's avatar April Schleck
Browse files

dalphaball: init at 0-unstable-2023-06-15 

DAlphaBall computes the surface area of unions of many small balls,
which is used by software for designing protein. For example
https://github.com/martinpacesa/BindCraft and
https://github.com/RosettaCommons/RFDesign both depend on it.
parent 3901d159

pkgs/by-name/da/dalphaball/package.nix

0 → 100644
+46 −0
Original line number Diff line number Diff line 
{

  lib,

  stdenv,

  fetchFromGitHub,

  gfortran,

  gmp,

}:



stdenv.mkDerivation rec {

  pname = "dalphaball";

  version = "0-unstable-2023-06-15";



  src = fetchFromGitHub {

    owner = "outpace-bio";

    repo = "DAlphaBall";

    rev = "7b9dc05fa2a40f7ea36c6d89973d150eaed459d9";

    hash = "sha256-mUxEL9b67z/mG+0pcM5uQ/jPAfEUpJlXOXPmqDea+U4=";

  };



  sourceRoot = "${src.name}/src";

  strictDeps = true;



  nativeBuildInputs = [

    gfortran

  ];



  buildInputs = [

    gfortran.cc.lib

    gmp

  ];



  installPhase = ''

    runHook preInstall

    install -Dm755 DAlphaBall.gcc $out/bin/DAlphaBall

    runHook postInstall

  '';



  meta = {

    description = "Computes the surface area and volume of unions of many balls";

    mainProgram = "DAlphaBall";

    homepage = "https://github.com/outpace-bio/DAlphaBall";

    license = lib.licenses.lgpl21Only;

    maintainers = with lib.maintainers; [ aschleck ];

    platforms = lib.platforms.unix;

  };

}