NAMD2 patchelf from binary

namd2-bin.nix

{ stdenv
, fetchurl
, autoPatchelfHook
, zlib
}:
let
  version = "2.14";
in
stdenv.mkDerivation {
  inherit version;
  pname = "namd-bin";

  src = fetchurl {
    url = "https://www.ks.uiuc.edu/Research/namd/2.14/download/946183/NAMD_2.14_Linux-x86_64-multicore-CUDA.tar.gz";
    sha256 = "sha256-8VFsebjWunLzTxosCx0JtOr9Ti97sfxYX9n+QY0UGXY=";
  };

  nativeBuildInputs = [ autoPatchelfHook ];

  buildInputs = [
    stdenv.cc.cc.lib
    zlib
  ];

  installPhase = ''
    runHook preInstall
    mkdir -p $out/bin
    cp namd2 charmrun flipbinpdb flipdcd psfgen sortreplicas $out/bin
    cp -r lib $out/lib
    runHook postInstall
  '';
}