h1. Getting and building QMCPACK
h2. Prerequisite 

* C/C++ compilers
* cmake, build utility, http://www.cmake.org
* blas/lapack, numerical library, use platform-optimized libraries
* libxml2, XML parser, http://xmlsoft.org/ 
* hdf5, portable I/O library, http://www.hdfgroup.org/HDF5/
* boost, peer-reviewed portable C++ source libraries, http://www.boost.org
* einspline, 3D bspline library, http://einspline.sourceforge.net/
* fftw, FFT library, http://www.fftw.org/

h2. Building with environment variables

This method works with GNU, Intel, and IBM XLC compilers. When the libraries
are installed in standard locations, e.g., /usr, /usr/local, there is no need
to set the XYZ_HOME for XYZ package.

* Set the environments (the examples below assume bash, Intel compilers and MKL library)

  export CXX=icpc
  export CC=icc
  export MKL_HOME=/usr/local/intel/mkl/10.0.3.020
  export LIBXML2_HOME=/usr/local
  export HDF5_HOME=/usr/local
  export BOOST_HOME=/usr/local/boost
  export EINSPLINE_HOME=/usr/local/einspline
  export FFTW_HOME=/usr/local/fftw

* Move to build directory, run cmake and make

  cd build
  cmake ..
  make

h2. Building with a toolchain file

Several toolchain files used by the developers are available in config
directory.  They are used on large-scale parallel machines where setting up all
the neccesary packages can be tricky. 

* AbeMvapich2.cmake for Abe cluster at NCSA
* JaguarGNU.cmake for CrayXT systems at ORNL
* KrakenGNU.cmake for CrayXT5 system at NICS

Once a sutiable toolchain file is found, follow these step (example on abe.ncsa.uiuc.edu):
* cd build
* cmake -DCMAKE_TOOLCHAIN_FILE=../config/AbeMvapich2.cmake -DCMAKE_VERBOSE_MAKEFILE=TRUE ..
* cmake -DCMAKE_TOOLCHAIN_FILE=../config/AbeMvapich2.cmake -DCMAKE_VERBOSE_MAKEFILE=TRUE ..
* make

For more informaton, consult QMCPACK wiki at http://www.mcc.uiuc.edu/qmcpack