Building of the iAPBS interface requires compilation and installation of MALOC and APBS libraries. The following describes each step separately (assumes bash as login script, modify appropriately for t/csh).
Setup the environment.
mkdir iAPBS-build
cd iAPBS-build
export APBS_PREFIX=`pwd`
export CC=icc
export F77=ifort
tar xvzf iapbs-1.0.0.tgz
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Compile and install APBS (for details please see the APBS manual):
cd $APBS_PREFIX
tar xvzf apbs-1.0.0.tar.gz
cd apbs-1.0.0
export APBS_SRC=`pwd`
export CFLAGS="${CFLAGS} -DVAPBSQUIET"
./configure --prefix=${APBS_PREFIX} --enable-abps-quiet
make && make install
cd $APBS_PREFIX/include
ln -s $APBS_SRC/contrib/include/maloc
cd $APBS_PREFIX/lib
cp $APBS_SRC/contrib/lib/libmaloc.a .
cp $APBS_SRC/contrib/blas/.libs/libapbsblas.a .
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Build the iAPBS interface library:
cd $APBS_PREFIX
cd iapbs-1.0.0
./setup.sh
./configure --prefix=${APBS_PREFIX} --disable-openmp
make && make install
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After this last step the ${APBS_PREFIX}/lib (or your machine specific) directory should contain all necessary libraries for Fortran/C/C++ iAPBS/APBS linking, including the libiapbs.a library.
Optionally you can now test the iAPBS library by compiling a wrapper program and running it on a set of examples:
cd src make wrapper cd ../test # if testing OpenMP version # ulimit -s unlimited ./test.sh |