| 18 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
| 19 |
|
|
| 20 |
|
INCLUDES= -I.. -I../../libBASS -I$(SPRNG_INC) |
| 21 |
< |
MPI_INCLUDES= -I$(MPICH_INC) -I$(MPICH_INC)/mpi2c++ -I$(MPI_F90_MODS) |
| 21 |
> |
MPI_INCLUDES= -I$(MPICH_INC) -I$(MPI_F90_MODS) |
| 22 |
|
|
| 23 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
| 24 |
|
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
| 29 |
|
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
| 30 |
|
MPI_FFLAGS=$(FFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
| 31 |
|
|
| 32 |
+ |
SRC_DIR := $(PWD) |
| 33 |
+ |
|
| 34 |
|
# Then do the compile rules: |
| 35 |
|
|
| 36 |
|
obj/%.o: %.F90 |
| 37 |
< |
cd obj; $(FC) $(FFLAGS) -c ../$< |
| 37 |
> |
cd obj; $(FC) $(FFLAGS) -c $(SRC_DIR)/$< |
| 38 |
|
|
| 39 |
|
MPIobj/%.o: %.F90 |
| 40 |
< |
cd MPIobj; $(FC) $(MPI_FFLAGS) -c ../$< |
| 40 |
> |
cd MPIobj; $(FC) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
| 41 |
|
|
| 42 |
|
obj/%.o: %.cpp |
| 43 |
< |
cd obj; $(CXX) $(CXXFLAGS) -c ../$< |
| 43 |
> |
cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
| 44 |
|
|
| 45 |
|
MPIobj/%.o: %.cpp |
| 46 |
< |
cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c ../$< |
| 46 |
> |
cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
| 47 |
|
|
| 48 |
|
obj/%.o: %.c |
| 49 |
< |
cd obj; $(CC) $(CFLAGS) -c ../$< |
| 49 |
> |
cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
| 50 |
|
|
| 51 |
|
MPIobj/%.o: %.c |
| 52 |
< |
cd MPIobj; $(CC) $(MPI_CFLAGS) -c ../$< |
| 52 |
> |
cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
| 53 |
|
|
| 54 |
|
# Then list what we have to compile |
| 55 |
|
|
| 61 |
|
$(DIR)/BendExtensions.cpp \ |
| 62 |
|
$(DIR)/Bond.cpp \ |
| 63 |
|
$(DIR)/BondExtensions.cpp \ |
| 62 |
– |
$(DIR)/DipoleTestFF.cpp \ |
| 64 |
|
$(DIR)/DirectionalAtom.cpp \ |
| 65 |
|
$(DIR)/DumpWriter.cpp \ |
| 66 |
|
$(DIR)/Exclude.cpp \ |
| 67 |
|
$(DIR)/InitializeFromFile.cpp \ |
| 68 |
< |
$(DIR)/LJ_FF.cpp \ |
| 68 |
> |
$(DIR)/LJFF.cpp \ |
| 69 |
|
$(DIR)/SimInfo.cpp \ |
| 70 |
|
$(DIR)/SimSetup.cpp \ |
| 71 |
|
$(DIR)/StatWriter.cpp \ |
| 72 |
< |
$(DIR)/Symplectic.cpp \ |
| 72 |
> |
$(DIR)/Integrator.cpp \ |
| 73 |
|
$(DIR)/Thermo.cpp \ |
| 74 |
|
$(DIR)/GhostBend.cpp \ |
| 75 |
|
$(DIR)/Torsion.cpp \ |
| 76 |
|
$(DIR)/TorsionExtensions.cpp \ |
| 77 |
< |
$(DIR)/TraPPE_ExFF.cpp \ |
| 77 |
< |
$(DIR)/TraPPEFF.cpp \ |
| 78 |
< |
$(DIR)/Verlet.cpp \ |
| 77 |
> |
$(DIR)/DUFF.cpp \ |
| 78 |
|
$(DIR)/randomSPRNG.cpp \ |
| 79 |
|
$(DIR)/fortranWrappers.cpp \ |
| 80 |
|
$(DIR)/ForceFields.cpp \ |
| 81 |
< |
$(DIR)/mpiSimulation.cpp |
| 81 |
> |
$(DIR)/mpiSimulation.cpp \ |
| 82 |
> |
$(DIR)/Molecule.cpp \ |
| 83 |
> |
$(DIR)/NVT.cpp \ |
| 84 |
> |
$(DIR)/NPTi.cpp \ |
| 85 |
> |
$(DIR)/NPTf.cpp |
| 86 |
|
|
| 87 |
|
|
| 88 |
|
F90_FILES= \ |
| 159 |
|
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
| 160 |
|
$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
| 161 |
|
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
| 162 |
< |
cat Make.temp | sed 's/^/obj\//' >> Make.dep |
| 163 |
< |
cat Make.temp | sed 's/^/MPIobj\//' >> Make.dep |
| 162 |
> |
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
| 163 |
> |
cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
| 164 |
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
| 165 |
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
| 166 |
|
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
| 188 |
|
|
| 189 |
|
obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 190 |
|
obj/$(F_MACH_DEFS) \ |
| 191 |
+ |
obj/simulation_module$(O) \ |
| 192 |
|
obj/force_globals$(O) |
| 193 |
|
|
| 194 |
|
obj/calc_gb$(O): ./calc_gb.F90 \ |
| 195 |
|
obj/$(F_MACH_DEFS) \ |
| 196 |
+ |
obj/simulation_module$(O) \ |
| 197 |
|
obj/force_globals$(O) |
| 198 |
|
|
| 199 |
|
obj/atype_module$(O): ./atype_module.F90 \ |
| 200 |
|
obj/$(F_MACH_DEFS) \ |
| 201 |
< |
obj/vector_class$(O) \ |
| 197 |
< |
obj/calc_sticky_pair$(O) \ |
| 198 |
< |
obj/calc_gb$(O) |
| 201 |
> |
obj/vector_class$(O) |
| 202 |
|
|
| 203 |
|
obj/simulation_module$(O): ./simulation_module.F90 \ |
| 204 |
|
obj/$(F_MACH_DEFS) \ |
| 205 |
+ |
obj/vector_class$(O) \ |
| 206 |
+ |
obj/force_globals$(O) \ |
| 207 |
|
obj/atype_module$(O) \ |
| 208 |
|
obj/neighborLists$(O) |
| 209 |
|
|
| 210 |
|
obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 211 |
|
obj/$(F_MACH_DEFS) \ |
| 212 |
|
obj/atype_module$(O) \ |
| 213 |
+ |
obj/simulation_module$(O) \ |
| 214 |
|
obj/vector_class$(O) \ |
| 215 |
|
obj/force_globals$(O) |
| 216 |
|
|
| 218 |
|
obj/$(F_MACH_DEFS) \ |
| 219 |
|
obj/vector_class$(O) \ |
| 220 |
|
obj/atype_module$(O) \ |
| 221 |
+ |
obj/simulation_module$(O) \ |
| 222 |
|
obj/force_globals$(O) |
| 223 |
|
|
| 224 |
|
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 225 |
|
obj/$(F_MACH_DEFS) \ |
| 226 |
|
obj/atype_module$(O) \ |
| 227 |
+ |
obj/simulation_module$(O) \ |
| 228 |
|
obj/force_globals$(O) \ |
| 229 |
|
obj/vector_class$(O) |
| 230 |
|
|
| 231 |
|
obj/do_Forces$(O): ./do_Forces.F90 \ |
| 232 |
|
obj/$(F_MACH_DEFS) \ |
| 225 |
– |
obj/simulation_module$(O) \ |
| 233 |
|
obj/atype_module$(O) \ |
| 234 |
+ |
obj/simulation_module$(O) \ |
| 235 |
|
obj/neighborLists$(O) \ |
| 236 |
|
obj/calc_LJ_FF$(O) \ |
| 237 |
|
obj/calc_sticky_pair$(O) \ |
| 242 |
|
|
| 243 |
|
obj/wrappers$(O): ./wrappers.F90 \ |
| 244 |
|
obj/$(F_MACH_DEFS) \ |
| 237 |
– |
obj/simulation_module$(O) \ |
| 245 |
|
obj/atype_module$(O) \ |
| 246 |
+ |
obj/simulation_module$(O) \ |
| 247 |
+ |
obj/calc_sticky_pair$(O) \ |
| 248 |
+ |
obj/calc_gb$(O) \ |
| 249 |
|
obj/do_Forces$(O) |
| 250 |
|
|
| 251 |
|
#MPI dependencies: |
| 266 |
|
|
| 267 |
|
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 268 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 269 |
+ |
MPIobj/simulation_module$(O) \ |
| 270 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 271 |
|
MPIobj/force_globals$(O) |
| 272 |
|
|
| 273 |
|
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
| 274 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 275 |
+ |
MPIobj/simulation_module$(O) \ |
| 276 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 277 |
|
MPIobj/force_globals$(O) |
| 278 |
|
|
| 279 |
|
MPIobj/atype_module$(O): ./atype_module.F90 \ |
| 280 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 281 |
< |
MPIobj/vector_class$(O) \ |
| 270 |
< |
MPIobj/calc_sticky_pair$(O) \ |
| 271 |
< |
MPIobj/calc_gb$(O) |
| 281 |
> |
MPIobj/vector_class$(O) |
| 282 |
|
|
| 283 |
|
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
| 284 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 285 |
+ |
MPIobj/atype_module$(O) \ |
| 286 |
+ |
MPIobj/vector_class$(O) \ |
| 287 |
+ |
MPIobj/force_globals$(O) \ |
| 288 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 289 |
|
MPIobj/atype_module$(O) \ |
| 290 |
|
MPIobj/neighborLists$(O) |
| 291 |
|
|
| 292 |
|
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 293 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 294 |
+ |
MPIobj/atype_module$(O) \ |
| 295 |
+ |
MPIobj/simulation_module$(O) \ |
| 296 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 297 |
|
MPIobj/atype_module$(O) \ |
| 298 |
|
MPIobj/vector_class$(O) \ |
| 300 |
|
|
| 301 |
|
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
| 302 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 303 |
+ |
MPIobj/atype_module$(O) \ |
| 304 |
+ |
MPIobj/simulation_module$(O) \ |
| 305 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 306 |
|
MPIobj/vector_class$(O) \ |
| 307 |
|
MPIobj/atype_module$(O) \ |
| 309 |
|
|
| 310 |
|
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 311 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 295 |
– |
MPIobj/mpiSimulation_module$(O) \ |
| 312 |
|
MPIobj/atype_module$(O) \ |
| 313 |
+ |
MPIobj/simulation_module$(O) \ |
| 314 |
+ |
MPIobj/mpiSimulation_module$(O) \ |
| 315 |
|
MPIobj/force_globals$(O) \ |
| 316 |
|
MPIobj/vector_class$(O) |
| 317 |
|
|
| 318 |
|
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
| 319 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 320 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 303 |
– |
MPIobj/simulation_module$(O) \ |
| 321 |
|
MPIobj/atype_module$(O) \ |
| 322 |
+ |
MPIobj/simulation_module$(O) \ |
| 323 |
|
MPIobj/neighborLists$(O) \ |
| 324 |
|
MPIobj/calc_LJ_FF$(O) \ |
| 325 |
|
MPIobj/calc_sticky_pair$(O) \ |
| 331 |
|
MPIobj/wrappers$(O): ./wrappers.F90 \ |
| 332 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 333 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 316 |
– |
MPIobj/simulation_module$(O) \ |
| 334 |
|
MPIobj/atype_module$(O) \ |
| 335 |
+ |
MPIobj/simulation_module$(O) \ |
| 336 |
+ |
MPIobj/calc_sticky_pair$(O) \ |
| 337 |
+ |
MPIobj/calc_gb$(O) \ |
| 338 |
|
MPIobj/do_Forces$(O) |
