with import <nixpkgs> {};

stdenv.mkDerivation {
  name = "namd-2.11";

  src = fetchurl {
    url = http://ppomorsk.sharcnet.ca/namd-2.11.tar.gz;
    md5 = "8a81eb4c883edbf977d0af05351f6914";
  };

  postUnpack = ''
    cd namd-*
    tar -xf charm-6.7.0.tar
    tar -xzf fftw-linux-x86_64.tar.gz
    mv linux-x86_64 fftw
    tar -xzf tcl8.5.9-linux-x86_64.tar.gz
    mv tcl8.5.9-linux-x86_64 tcl
    tar -xzf tcl8.5.9-linux-x86_64-threaded.tar.gz
    mv tcl8.5.9-linux-x86_64-threaded tcl-threaded
    cd ..
  '';
  patchPhase = ''
    find charm-6.7.0 -type f | xargs sed -i \
      -e 's,/bin/cp,cp,g' \
      -e 's,/bin/rm,rm,g' \
      -e 's,/lib/cpp,cpp,g'
  '';
  configurePhase = ''
    tcsh -f ./config  Linux-x86_64-g++   --charm-arch multicore-linux64
  '';
  buildPhase = ''
    cd charm-6.7.0
    ./build charm++ multicore-linux64 --no-build-shared --with-production
    cd ..
    cd Linux-x86_64-g++
    make
    cd ..
  '';
  installPhase = ''
    rm -fr Linux-x86_64-g++/{obj,src,inc,Make*,plugins,sb}
    cp -r plugins Linux-x86_64-g++/
    cp -r psfgen Linux-x86_64-g++/sb
    mkdir -p $out/lib/namd
    cp -r Linux-x86_64-g++/* $out/lib/namd
    mkdir -p $out/bin
    ln -s $out/lib/namd/namd2 $out/bin/namd2
  '';

  buildInputs = [
    perl
    bash
    tcsh
  ];
}