IBM-BGQ-MPI.popt

# The following settings were tested on IBM/BlueGene Q with
# - ESSL library             5.1
# - LAPACK library           lapack/3.4.2 
# - SCALAPACK library        scalapack/2.0.2
# - MASS library             7.3
# - FFTW3 library            fftw/3.3.3
# - libint library           libint/1.1.4
# - libxc library            2.2.2
# WARNING: Check your own libraries and paths !
#
CC       = mpixlc_r
CXX      = mpixlcxx_r
CPP      = cpp -P -traditional-cpp
FC       = mpixlf2003_r
LD       = mpixlf2003_r
AR       = ar -r
LIBXC_INCLUDE=$(HOME)/libxc-2.2.2-install/include
DFLAGS   = -D__FFTW3 -D__parallel -D__SCALAPACK -D__LIBINT -D__LIBXC2 -D__MPI_VERSION=2
CPPFLAGS = $(DFLAGS) -I$(FFTW3_INCLUDE) -I$(LIBXC_INCLUDE)
FCFLAGS  = -O3 -qstrict -q64 -qarch=qp -qtune=qp \
           -I/opt/ibmmath/essl/5.1/include/ \
           -I$(LAPACK_INCLUDE) -I$(FFTW3_INCLUDE) -I$(LIBXC_INCLUDE)
LDFLAGS  = $(FCFLAGS) -Wl,--allow-multiple-definition
LIBS     = -L$(LIBINT_LIB) -lderiv -lint \
           -L$(FFTW3_LIB) -lfftw3 \
           -L$(SCALAPACK_LIB) -lscalapack \
           -L$(LAPACK_LIB) -llapack \
           -L$(HOME)/libxc-2.2.2-install/lib -lxcf90 -lxc \
           -L/bgsys/local/lib -lesslbg \
           -lmass