Makefile

#The following lines are for gfortran compilation with MKL libraries
FXX = gfortran -o2 -ffast-math -ffree-line-length-none -m64 #-fbacktrace
CXX = g++ -o2
MKLROOT     = /opt/app1/intel/oneapi/mkl/2024.1/
BLAS     =   -m64  -L${MKLROOT}/lib -Wl,--no-as-needed -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -lgomp -lpthread -lm -ldl
INC      = -I${MKLROOT}/include
LIB       = ${BLAS}

#ifort commands(if -mkl does not work, try explicit links above)
#FXX       = ifort -O2 -axCORE-AVX2 -parallel -fPIC -mkl:parallel -static-intel -qopenmp-link static
#CXX       = g++

CWD       = $(shell pwd)
OBJ       = $(CWD)/Object
JMOD      = $(CWD)/JunctionMod
EXEC      = RUQT.x


main: $(EXEC) junctionmod

$(EXEC): RUQT.f90 ${OBJ}/TypeMod.o  ${OBJ}/InterfaceMod.o ${OBJ}/Build_G_SD_Invert.o ${OBJ}/Build_B0_CISD.o

	$(FXX) ${INC} ${LIB} RUQT.f90 ${OBJ}/TypeMod.o ${OBJ}/InterfaceMod.o ${OBJ}/Build_G_SD_Invert.o ${OBJ}/Build_B0_CISD.o -o ${EXEC}

junctionmod: ${OBJ}/main.o ${OBJ}/molecule.o ${OBJ}/transform.o ${OBJ}/electrode.o ${OBJ}/job.o
	$(CXX) -o junctionmod ${OBJ}/main.o ${OBJ}/molecule.o ${OBJ}/transform.o ${OBJ}/electrode.o ${OBJ}/job.o

${OBJ}/main.o : ${JMOD}/main.cpp
	$(CXX) -c ${JMOD}/main.cpp -o ${OBJ}/main.o

${OBJ}/molecule.o : ${JMOD}/molecule.cpp ${JMOD}/molecule.h
	$(CXX) -c ${JMOD}/molecule.cpp -o ${OBJ}/molecule.o

${OBJ}/transform.o : ${JMOD}/transform.cpp ${JMOD}/transform.h
	$(CXX) -c ${JMOD}/transform.cpp -o ${OBJ}/transform.o

${OBJ}/electrode.o : ${JMOD}/electrode.cpp ${JMOD}/electrode.h
	$(CXX) -c ${JMOD}/electrode.cpp -o ${OBJ}/electrode.o

${OBJ}/job.o : ${JMOD}/job.cpp ${JMOD}/job.h
	$(CXX) -c ${JMOD}/job.cpp -o ${OBJ}/job.o

${OBJ}/TypeMod.o: TypeMod.f90
	$(FXX) -c TypeMod.f90 -o ${OBJ}/TypeMod.o

${OBJ}/InterfaceMod.o: InterfaceMod.f90
	$(FXX) -c InterfaceMod.f90 -o ${OBJ}/InterfaceMod.o

${OBJ}/Build_G_SD_Invert.o: Build_G_SD_Invert.f90
	$(FXX) -c Build_G_SD_Invert.f90 -o ${OBJ}/Build_G_SD_Invert.o

${OBJ}/Build_B0_CISD.o: Build_B0_CISD.f90
	$(FXX) -c Build_B0_CISD.f90 -o ${OBJ}/Build_B0_CISD.o

clean:
	rm $(OBJ)/*.o; rm *.mod