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#
# module load openmpi cuda blas lapack
#
#
CC = gcc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
CPPFLAGS =
DFLAGS = -D__FFTW3 \
-D__LIBINT \
-D__LIBXC \
-D__parallel \
-D__SCALAPACK
SCALAPACK_LIB = /davide/home/userexternal/$USER/scalapack/scalapack
LIBINT_HOME = /davide/home/userexternal/$USER/cp2k/libs/libint/1.1.4
LIBXC_HOME = /davide/home/userexternal/$USER/cp2k/libs/libxc/4.1.1
FFTW_HOME = /davide/home/userexternal/$USER/fftw/3.3.8
FFTW_INC = $(FFTW_HOME)/include
FFTW_LIB = $(FFTW_HOME)/lib
FCFLAGS = $(DFLAGS) -O3 -ffast-math -ffree-form -funroll-loops -mcpu=power8\
-I$(FFTW_INC) -I$(LIBINT_HOME)/include -I$(LIBXC_HOME)/include
LDFLAGS = $(FCFLAGS) #-Wl,--start-group #-static
#LIBS = -L$(SCALAPACK_LIB) -lscalapack\
# -L$(LAPACK_LIB) -llapack\
# -L$(BLAS_LIB) -lblas\
# -L$(FFTW_LIB) -lfftw3\
# -L$(FFTW_LIB) -lfftw3_threads\
# -L$(LIBINT_HOME)/lib -lderiv\
# -L$(LIBINT_HOME)/lib -lint\
# -L$(LIBINT_HOME)/lib -lr12\
# -L$(LIBXC_HOME)/lib -lxcf03\
# -L$(LIBXC_HOME)/lib -lxc
LIBS = $(SCALAPACK_LIB)/libscalapack.a\
$(LAPACK_LIB)/liblapack.a\
$(BLAS_LIB)/libblas.a\
$(FFTW_LIB)/libfftw3.a\
$(FFTW_LIB)/libfftw3_threads.a\
$(LIBINT_HOME)/lib/libderiv.a\
$(LIBINT_HOME)/lib/libint.a\
$(LIBINT_HOME)/lib/libr12.a\
$(LIBXC_HOME)/lib/libxcf03.a\
$(LIBXC_HOME)/lib/libxc.a\
-ldl\
# -Wl,--end-group