46 |
|
# MPICH include path |
47 |
|
MPI_INC=@MPI_INC@ |
48 |
|
|
49 |
< |
# MPI F90 Module path |
50 |
< |
MPI_F90_MODS=@MPI_F90_MODS@ |
49 |
> |
# MODDIRFLAG |
50 |
> |
MODDIRFLAG=@MODDIRFLAG@ |
51 |
|
|
52 |
|
# Compiler dependent Fortran module |
53 |
|
FLIBS_EXTRA = @F90LIBS@ |
95 |
|
# C++ flags |
96 |
|
CXXFLAGS_C=@CXXFLAGS@ |
97 |
|
|
98 |
+ |
# C++ template flags |
99 |
+ |
OOPSE_TEMPLATE_FLAGS=@OOPSE_TEMPLATE_FLAGS@ |
100 |
+ |
|
101 |
+ |
# C++ namespace flags |
102 |
+ |
EXTRA_CC_FLAG=@EXTRA_CC_FLAG@ |
103 |
+ |
|
104 |
|
# Preprocessor flag for fortran |
105 |
|
PREPFLAG=@PREPFLAG@ |
106 |
|
|
124 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
125 |
|
|
126 |
|
INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) |
127 |
< |
MPI_INCLUDES= -I$(MPI_INC) $(MPI_F90_MODS) |
127 |
> |
MPI_INCLUDES= -I$(MPI_INC) |
128 |
> |
F90_INCLUDES= -I/usr/local/include |
129 |
|
|
130 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) |
131 |
< |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
131 |
> |
CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
132 |
|
FFLAGS=$(PREPFLAG) $(FFLAGS_C) |
133 |
< |
F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) |
133 |
> |
F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) $(F90_INCLUDES) |
134 |
|
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES) |
135 |
|
|
136 |
|
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
137 |
|
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
138 |
|
MPI_F90FLAGS=$(F90FLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES) |
139 |
|
|
140 |
< |
SRC_DIR := $(PWD) |
140 |
> |
SRC_DIR := .. |
141 |
|
|
142 |
|
# Then do the compile rules: |
143 |
|
|
173 |
|
$(DIR)/BondExtensions.cpp \ |
174 |
|
$(DIR)/DirectionalAtom.cpp \ |
175 |
|
$(DIR)/DumpWriter.cpp \ |
176 |
+ |
$(DIR)/DumpReader.cpp \ |
177 |
|
$(DIR)/Exclude.cpp \ |
178 |
|
$(DIR)/InitializeFromFile.cpp \ |
179 |
|
$(DIR)/LJFF.cpp \ |
190 |
|
$(DIR)/randomSPRNG.cpp \ |
191 |
|
$(DIR)/fortranWrappers.cpp \ |
192 |
|
$(DIR)/ForceFields.cpp \ |
185 |
– |
$(DIR)/mpiSimulation.cpp \ |
193 |
|
$(DIR)/Molecule.cpp \ |
194 |
|
$(DIR)/NPTf.cpp \ |
195 |
|
$(DIR)/NPTi.cpp \ |
196 |
< |
$(DIR)/NPTxym.cpp \ |
190 |
< |
$(DIR)/NPTzm.cpp \ |
196 |
> |
$(DIR)/NPTxyz.cpp \ |
197 |
|
$(DIR)/NVT.cpp \ |
198 |
|
$(DIR)/SimState.cpp \ |
199 |
|
$(DIR)/ZConstraint.cpp \ |
200 |
|
$(DIR)/ZConsWriter.cpp \ |
201 |
< |
$(DIR)/GenericData.cpp |
201 |
> |
$(DIR)/mdProfile.cpp \ |
202 |
> |
$(DIR)/GenericData.cpp \ |
203 |
> |
$(DIR)/mpiSimulation.cpp |
204 |
|
|
205 |
|
F90_FILES= \ |
206 |
|
$(DIR)/definitions_module.F90 \ |
207 |
|
$(DIR)/status_module.F90 \ |
208 |
|
$(DIR)/atype_module.F90 \ |
209 |
|
$(DIR)/calc_dipole_dipole.F90 \ |
210 |
+ |
$(DIR)/calc_charge_charge.F90 \ |
211 |
|
$(DIR)/calc_reaction_field.F90 \ |
212 |
|
$(DIR)/calc_LJ_FF.F90 \ |
213 |
|
$(DIR)/calc_eam.F90 \ |
220 |
|
$(DIR)/calc_gb.F90 \ |
221 |
|
$(DIR)/force_globals.F90 \ |
222 |
|
$(DIR)/mpiSimulation_module.F90 \ |
223 |
< |
$(DIR)/notifyCutoffs.F90 |
223 |
> |
$(DIR)/notifyCutoffs.F90 \ |
224 |
> |
$(DIR)/timing.F90 \ |
225 |
> |
$(DIR)/oopseMPI_module.F90 |
226 |
|
|
227 |
|
DIR:=. |
228 |
|
C_SRCS := $(C_FILES) |
362 |
|
obj/force_globals$(O) \ |
363 |
|
obj/vector_class$(O) |
364 |
|
|
365 |
+ |
obj/calc_charge_charge$(O): ./calc_charge_charge.F90 \ |
366 |
+ |
obj/definitions_module$(O) \ |
367 |
+ |
obj/atype_module$(O) \ |
368 |
+ |
obj/simulation_module$(O) \ |
369 |
+ |
obj/force_globals$(O) \ |
370 |
+ |
obj/vector_class$(O) |
371 |
+ |
|
372 |
|
obj/do_Forces$(O): ./do_Forces.F90 \ |
373 |
|
obj/definitions_module$(O) \ |
374 |
|
obj/atype_module$(O) \ |
400 |
|
obj/do_Forces$(O) \ |
401 |
|
obj/notifyCutoffs$(O) |
402 |
|
|
403 |
+ |
obj/timing$(O): ./timing.F90 \ |
404 |
+ |
obj/do_Forces$(O) |
405 |
|
|
406 |
|
|
407 |
|
|
388 |
– |
|
389 |
– |
|
408 |
|
#MPI dependencies: |
409 |
|
|
410 |
|
MPIobj/definitions_module$(O): ./definitions_module.F90 |
413 |
|
|
414 |
|
MPIobj/status_module$(O): ./status_module.F90 |
415 |
|
|
416 |
< |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
416 |
> |
MPIobj/oopseMPI_module$(O): ./oopseMPI_module.F90 |
417 |
|
|
418 |
+ |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 \ |
419 |
+ |
MPIobj/oopseMPI_module$(O) |
420 |
+ |
|
421 |
|
MPIobj/force_globals$(O): ./force_globals.F90 \ |
422 |
|
MPIobj/mpiSimulation_module$(O) \ |
423 |
|
MPIobj/definitions_module$(O) |
486 |
|
MPIobj/force_globals$(O) \ |
487 |
|
MPIobj/vector_class$(O) |
488 |
|
|
489 |
+ |
MPIobj/calc_charge_charge$(O): ./calc_charge_charge.F90 \ |
490 |
+ |
MPIobj/definitions_module$(O) \ |
491 |
+ |
MPIobj/atype_module$(O) \ |
492 |
+ |
MPIobj/simulation_module$(O) \ |
493 |
+ |
MPIobj/mpiSimulation_module$(O) \ |
494 |
+ |
MPIobj/force_globals$(O) \ |
495 |
+ |
MPIobj/vector_class$(O) |
496 |
+ |
|
497 |
|
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
498 |
|
MPIobj/definitions_module$(O) \ |
499 |
|
MPIobj/mpiSimulation_module$(O) \ |
527 |
|
MPIobj/do_Forces$(O) \ |
528 |
|
MPIobj/notifyCutoffs$(O) |
529 |
|
|
530 |
+ |
MPIobj/timing$(O): ./timing.F90 \ |
531 |
+ |
MPIobj/do_Forces$(O) \ |
532 |
+ |
MPIobj/mpiSimulation_module$(O) |