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#
# module load GCC/8.2.0 ParaStationMPI/5.2.1-1 FFTW/3.3.8 imkl/2019.0.117
#
CC = gcc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
FFTW_INC = $(EBROOTFFTW)/include
FFTW_LIB = $(EBROOTFFTW)/lib
LIB_DIR = /p/project/cprpb68/$USER/cp2k/libs
LIBINT_INC = $(LIB_DIR)/libint/1.1.4/include
LIBINT_LIB = $(LIB_DIR)/libint/1.1.4/lib
LIBXC_INC = $(LIB_DIR)/libxc/4.2.3/include
LIBXC_LIB = $(LIB_DIR)/libxc/4.2.3/lib
DFLAGS = -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC -D__parallel -D__SCALAPACK #-D__HAS_NO_SHARED_GLIBC
CPPFLAGS =
FCFLAGS = $(DFLAGS) -O3 -ffast-math -ffree-form -ffree-line-length-none\
-fopenmp -ftree-vectorize -funroll-loops -march=skylake-avx512\
-m64\
-I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I$(MKLROOT)/include
LDFLAGS = $(FCFLAGS) #-static
LIBS = $(FFTW_LIB)/libfftw3.a\
$(FFTW_LIB)/libfftw3_threads.a\
-L$(MKLROOT)/lib/intel64\
-Wl,--no-as-needed\
-lmkl_scalapack_lp64\
-lmkl_gf_lp64\
-lmkl_sequential\
-lmkl_core\
-lmkl_blacs_intelmpi_lp64\
-lpthread -lm -ldl\
$(LIBXC_LIB)/libxcf03.a\
$(LIBXC_LIB)/libxc.a\
$(LIBINT_LIB)/libderiv.a\
$(LIBINT_LIB)/libint.a