# modules: CrayGNU cray-fftw cray-python cudatoolkit Libint libxc NVCC = nvcc CC = cc CPP = FC = ftn LD = ftn AR = ar -r CPPFLAGS = DFLAGS = -D__FFTW3 -D__parallel -D__SCALAPACK -D__ACC -D__DBCSR_ACC -D__FFTSG -D__LIBINT -D__LIBXC -D__GFORTRAN CFLAGS = $(DFLAGS) FCFLAGS = $(DFLAGS) -O3 -mavx -fopenmp -funroll-loops -ffast-math -ftree-vectorize -ffree-form -ffree-line-length-512 FCFLAGS += -I$(EBROOTLIBINT)/include -I$(EBROOTLIBXC)/include LDFLAGS = $(FCFLAGS) NVFLAGS = $(DFLAGS) -O3 -arch sm_60 LIBS = -lfftw3 -lfftw3_threads -lcudart -lcublas -lcufft -lrt LIBS += $(EBROOTLIBINT)/lib/libderiv.a $(EBROOTLIBINT)/lib/libint.a $(EBROOTLIBINT)/lib/libr12.a -lstdc++ LIBS += -L$(EBROOTLIBXC)/lib -lxcf03 -lxc