# Notes on compiling MDfit in Gromacs Version 4.5.5: compiled with FFTW v3.2.2, openmpi 1.6.1 gcc, on Max OSX 10.8.2 with 64 bit Intel support
# These commands assume that mpi is in your path.

FFTW_SRC=/home/johndoe/src/fftw
GMX_SRC=/home/johndoe/src/gmx

FFTW_INSTALL=/home/johndoe/BIN/fftw_tmp
GMX_INSTALL=/home/johndoe/BIN/gmx-cryoem
export MPICC=PATH_TO_MPI/mpicc
export CFLAGS=-m64


cd $FFTW_SRC
./configure --enable-float --prefix=$FFTW_INSTALL
make 
make install


export LDFLAGS=-L$FFTW_INSTALL/lib/
export CPPFLAGS=-I$FFTW_INSTALL/include/

cd $GMX_SRC
./configure --enable-mpi --prefix=$GMX_INSTALL  --enable-apple-64bit
make
make install