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# modules: CrayGNU cray-fftw cray-python
CC = cc
CPP =
FC = ftn
LD = ftn
AR = ar -r
CP2K_ROOT=/scratch/snx3000/hjudge/CP2K/build-cpu
DFLAGS = -D__FFTW3 -D__parallel -D__SCALAPACK -D__LIBINT -D__GFORTRAN -D__ELPA -D__LIBXC
CFLAGS = $(DFLAGS) -g -O3 -mavx -fopenmp -march=native -mtune=native
CXXFLAGS = $(CFLAGS)
FCFLAGS = $(DFLAGS) -O3 -mavx -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-512 -march=native -mtune=native
FCFLAGS += -I$(CP2K_ROOT)/libs/libint/include
FCFLAGS += -I$(CP2K_ROOT)/libs/libxc/include
FCFLAGS += -I$(CP2K_ROOT)/libs/elpa-openmp/include/elpa_openmp-2020.05.001/modules -I$(CP2K_ROOT)/libs/elpa-openmp/include/elpa_openmp-2020.05.001/elpa
LDFLAGS = $(FCFLAGS)
LIBS = -lfftw3 -lfftw3_threads
LIBS += -L$(CP2K_ROOT)/libs/libint/lib -lint2 -lstdc++
LIBS += -L$(CP2K_ROOT)/libs/libxc/lib -lxcf90 -lxcf03 -lxc
LIBS += -L$(CP2K_ROOT)/libs/elpa-openmp/lib -lelpa_openmp