qmcpack

pkgs/qmcpack/default.nix

-{ stdenv, fetchgit, mpich2, cmake, liblapack, blas, fftw, libxml2, hdf5, pythonPackages, hdf5-fortran}:
+{ stdenv, fetchgit, openmpi, cmake, liblapack, openblas, fftw, libxml2, hdf5, pythonPackages, hdf5-fortran, gfortran}:
 stdenv.mkDerivation {
   name = "qmcpack";
   src = fetchgit {
@@ -7,22 +7,21 @@ stdenv.mkDerivation {
     rev="1009b07ad6fa873d71a0755747e6a7f610eb169b";
   };
 
-  #phases = ["unpackPhase" "installPhase"];
 
-  #cmakeFlags = [
-    #"-DHDF5_INCLUDE_DIRS=${hdf5-cpp}/include"
-    #"-DHDF5_ROOT=${hdf5-cpp}/"
-    #"-DHDF5_LIBRARIES=${hdf5}/lib"
-    #"-DHDF5_LIBRARY_DIRS=${hdf5}/lib"
-    #"-DHDF5_FOUND=true"
-  #]   ;
+  cmakeFlags = [
+    "-DCMAKE_C_COMPILER=${openmpi}/bin/mpicc"
+    "-DCMAKE_CXX_COMPILER=${openmpi}/bin/mpic++"
+  ];
 
-  nativeBuildInputs = [ cmake ];
-  buildInputs = [ liblapack blas fftw libxml2 hdf5 hdf5-fortran pythonPackages.numpy];
+  nativeBuildInputs = [ cmake openmpi ];
+  buildInputs = [ liblapack openblas fftw libxml2 hdf5 hdf5-fortran pythonPackages.numpy gfortran ];
   propagatedBuildInputs = [ pythonPackages.numpy ];
 
-  #buildPhase = "make ZMQ_PATH=${zeromq} MPI_INCLUDE=${mpich2}";
-  #propagatedBuildInputs = [zulu];
+  dontUseCmakeBuildDir = true;
+  preConfigure = ''
+    cmakeDir=$PWD
+    cd build
+  '';
 
   #installPhase = ''
     #mkdir -p $out/bin