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# 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
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