# ---------------------------------------------------------------------- # Makefile for OpenMM Preview Release 3 workshop "hello world" examples. # June 24, 2009. # See https://simtk.org/home/openmm. # ---------------------------------------------------------------------- # This assumes you have gcc compilers for whatever language you are # using: g++ for C++ and C, gfortran for Fortran 95. # # Note: the C Wrappers and Fortran Module are just prototypes. They are # incomplete but have enough functionality to get through these examples. # We would like more complete and better-thought-out interfaces; if you # have code or ideas please post to the OpenMM forum at the above URL # (select "Advanced/Public Forums"). # # This has had only minimal testing, although it has been known to # work. It is likely to work fine for C and C++. For Fortran, you # may need to add some of the C/C++ libraries: # -lc -lm -lstdc++ (or -lstdc++.6) -lgcc -lgcc_s # but this wasn't required for these examples on Centos 5.2 using # gcc 4.1.2. # Check whether this is the right capitalization for your install directory. OpenMM_INSTALL_DIR=/usr/local/openmm CFLAGS = -g FFLAGS = -g # Extra libraries required when gfortran links with a C++ module. # If this doesn't work, look in /usr/lib to # see what versions of libstdc++.so you have and try different # versions. FCPPLIBS = -lstdc++ LIB_DIR=$(OpenMM_INSTALL_DIR)/lib INCLUDE_DIR=$(OpenMM_INSTALL_DIR)/include # assume local directory for C and Fortran wrappers WRAPPER_DIR=. LIBS= -lOpenMM ALL_CPP_EXAMPLES = HelloArgon HelloSodiumChloride HelloEthane HelloWaterBox ALL_C_EXAMPLES = HelloArgonInC HelloSodiumChlorideInC ALL_F95_EXAMPLES = HelloArgonInFortran HelloSodiumChlorideInFortran ALL_PROGS = $(ALL_CPP_EXAMPLES) $(ALL_C_EXAMPLES) $(ALL_F95_EXAMPLES) default: HelloArgon all : $(ALL_PROGS) # Treat all .cpp source files the same way (except the one that # implements the C Wrappers). .cpp : g++ $(CFLAGS) -I$(INCLUDE_DIR) $< -L$(LIB_DIR) $(LIBS) -o $* HelloArgonInC: HelloArgonInC.c OpenMM_CWrapper.o g++ $(CFLAGS) -I$(WRAPPER_DIR) HelloArgonInC.c OpenMM_CWrapper.o \ -L$(LIB_DIR) $(LIBS) -o HelloArgonInC HelloSodiumChlorideInC: HelloSodiumChlorideInC.c OpenMM_CWrapper.o g++ $(CFLAGS) -I$(WRAPPER_DIR) HelloSodiumChlorideInC.c OpenMM_CWrapper.o \ -L$(LIB_DIR) $(LIBS) -o HelloSodiumChlorideInC HelloArgonInFortran: HelloArgonInFortran.f90 openmm.mod OpenMM_CWrapper.o gfortran $(FFLAGS) HelloArgonInFortran.f90 OpenMM_CWrapper.o \ -L$(LIB_DIR) $(LIBS) $(FCPPLIBS) -o HelloArgonInFortran HelloSodiumChlorideInFortran: HelloSodiumChlorideInFortran.f90 openmm.mod OpenMM_CWrapper.o gfortran $(FFLAGS) HelloSodiumChlorideInFortran.f90 OpenMM_CWrapper.o \ -L$(LIB_DIR) $(LIBS) $(FCPPLIBS) -o HelloSodiumChlorideInFortran # Build C Wrappers (Fortran depends on this too) OpenMM_CWrapper.o: g++ -c $(CFLAGS) -I$(WRAPPER_DIR) -I$(INCLUDE_DIR) \ $(WRAPPER_DIR)/OpenMM_CWrapper.cpp -o OpenMM_CWrapper.o # Build Fortran 95 Module file openmm.mod: gfortran -c $(FFLAGS) $(WRAPPER_DIR)/OpenMM_Module.f90 clean : rm $(ALL_PROGS) *.o *.mod *.obj *.exe