build script for ProteinDF on MacOSX

build_pdf_osx.sh

#!/bin/bash

# a build script for ProteinDF on MacOSX
# 
# 1. prepare build tools by using homebrew.
#   $ brew install gcc automake autoconf libtool
# 2. install LAPACK into ${HOME}/local
#   In this case, "librefblas.a" and "liblapack.a" are found in the ${HOME}/local/lib directory.
# 3. install OpenMPI into ${HOME}/local/openmpi
#   This build-script uses "${HOME}/local/openmpi/bin/mpicxx" as MPI-C++ compiler.
# 4. install ScaLAPACK into ${HOME}/local
#   The ScaLAPACK library should be build using the previous OpenMPI-compiler(fortran, c/c++).
#   The file "libscalapack.a" is found in the ${HOME}/local/lib.

export LANG=C
MY_PREFIX=${HOME}/local/ProteinDF
if [ x${1} != x ]; then
    MY_PREFIX=${1}
fi

export F77=gfortran
export FC=gfortran
export CC=gcc-5
export CXX=g++-5
export CFLAGS=" \
 -Wall -O3 \
 -fopenmp \
 -DMPICH_IGNORE_CXX_SEEK "
export CXXFLAGS=${CFLAGS}
export LDFLAGS="-fopenmp"
export MPICXX=${HOME}/local/openmpi/bin/mpicxx
export LIBS="-lgfortran -lm"

# Following parameters are also available.
# export BLAS_LIBS=${HOME}/local/lib/librefblas.a
# export LAPACK_LIBS=${HOME}/local/lib/liblapack.a
# export SCALAPACK_LIBS=${HOME}/local/lib/libscalapack.a

CONFIGURE_OPT=" \
  --disable-shared \
  --enable-static \
  --enable-parallel \
  --with-blas="${HOME}/local/lib/librefblas.a" \
  --with-lapack="${HOME}/local/lib/liblapack.a" \
  --with-scalapack="${HOME}/local/lib/libscalapack.a" \
"

rm -rf autom4te.cache
./bootstrap.sh

./configure --prefix=${MY_PREFIX} ${CONFIGURE_OPT} 2>&1 | tee out.configure
make 2>&1 | tee out.make
make install 2>&1 | tee out.make_install