# ---------------------------------------------------------------------- # 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: cl for C++ and C, ifort 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="C:/Program Files/OpenMM" CC = cl FC = ifort CFLAGS = /MD /EHsc FFLAGS = /MD # Extra libraries required when ifort 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 = LIB_DIR=$(OpenMM_INSTALL_DIR)/lib INCLUDE_DIR=$(OpenMM_INSTALL_DIR)/include LIBS= OpenMM.lib 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 : cpp cc fortran cpp c++: $(ALL_CPP_EXAMPLES) cc: $(ALL_C_EXAMPLES) fortran: $(ALL_F95_EXAMPLES) # Treat all .cpp source files the same way (except the one that # implements the C Wrappers). HelloArgon HelloSodiumChloride HelloEthane HelloWaterBox: $(CC) $(CFLAGS) -I$(INCLUDE_DIR) $*.cpp /link /libpath:$(LIB_DIR) $(LIBS) /out:$*.exe HelloArgonInC: HelloArgonInC.c OpenMM_CWrapper.obj $(CC) $(CFLAGS) -I. $*.c OpenMM_CWrapper.obj /link /libpath:$(LIB_DIR) $(LIBS) /out:$*.exe HelloSodiumChlorideInC: HelloSodiumChlorideInC.c OpenMM_CWrapper.obj $(CC) $(CFLAGS) -I. $*.c OpenMM_CWrapper.obj /link /libpath:$(LIB_DIR) $(LIBS) /out:$*.exe HelloArgonInFortran: HelloArgonInFortran.f90 openmm.mod OpenMM_CWrapper.obj $(FC) $(FFLAGS) $*.f90 OpenMM_CWrapper.obj /link /libpath:$(LIB_DIR) $(LIBS) /out:$*.exe HelloSodiumChlorideInFortran: HelloSodiumChlorideInFortran.f90 openmm.mod OpenMM_CWrapper.obj $(FC) $(FFLAGS) $*.f90 OpenMM_CWrapper.obj /link /libpath:$(LIB_DIR) $(LIBS) /out:$*.exe # Build C Wrappers (Fortran depends on this too) OpenMM_CWrapper.obj: OpenMM_CWrapper.cpp $(CC) $(CFLAGS) -c -I. -I$(INCLUDE_DIR) OpenMM_CWrapper.cpp # Build Fortran 95 Module file openmm.mod: OpenMM_Module.f90 $(FC) -c $(FFLAGS) OpenMM_Module.f90 clean : del *.mod *.obj *.exe *.pdb *.exe.manifest