| 5:03:52 AM PDT - Fri, Sep 12th 2014 |
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This is what I have done to install NWChem under Mingw32
A prerequisite is to install Mpich, that can be found at the following URL
http://www.mpich.org/static/tarballs/1.4.1p1/mpich2-1.4.1p1-win-ia32.msi
Once Mpich is installed, you should copy the installation files to a different location to avoid the failure of the tools compilation. You can use the following command
cp -rp /c/Program\ Files\ \(x86\)/MPICH2/ ~/
Next, you need to set the env.
export NWCHEM_TOP=~/nwchem-6.5
export NWCHEM_TARGET=LINUX
export USE_MPI=y
export MPI_LOC=~/MPICH2
export MPI_INCLUDE=$MPI_LOC/include
export MPI_LIB=$MPI_LOC/lib
export LIBMPI="-lfmpich2g -lmpi"
export PYTHONHOME=/c/Python27/
export PYTHONVERSION=27
export DEPEND_CC=gcc
Then, you can start the compilation by typing
make FC=gfortran DEPEND_CC=gcc
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