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 |
|
|
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 \ |
76 |
< |
$(DIR)/Verlet.cpp \ |
77 |
> |
$(DIR)/DUFF.cpp \ |
78 |
|
$(DIR)/randomSPRNG.cpp \ |
79 |
|
$(DIR)/fortranWrappers.cpp \ |
80 |
|
$(DIR)/ForceFields.cpp \ |
81 |
|
$(DIR)/mpiSimulation.cpp \ |
82 |
< |
$(DIR)/Molecule.cpp |
82 |
> |
$(DIR)/Molecule.cpp \ |
83 |
> |
$(DIR)/NVT.cpp \ |
84 |
> |
$(DIR)/NPTi.cpp \ |
85 |
> |
$(DIR)/NPTf.cpp \ |
86 |
> |
$(DIR)/NPTim.cpp \ |
87 |
> |
$(DIR)/NPTfm.cpp |
88 |
|
|
89 |
|
|
90 |
|
F90_FILES= \ |
91 |
|
$(DIR)/Linux_ifc_machdep.F90 \ |
92 |
|
$(DIR)/atype_module.F90 \ |
87 |
– |
$(DIR)/f_verlet_constrained.F90 \ |
93 |
|
$(DIR)/calc_dipole_dipole.F90 \ |
94 |
|
$(DIR)/calc_reaction_field.F90 \ |
95 |
|
$(DIR)/calc_LJ_FF.F90 \ |
101 |
|
$(DIR)/neighborLists.F90 \ |
102 |
|
$(DIR)/calc_gb.F90 \ |
103 |
|
$(DIR)/force_globals.F90 \ |
104 |
< |
$(DIR)/mpiSimulation_module.F90 |
104 |
> |
$(DIR)/mpiSimulation_module.F90 \ |
105 |
> |
$(DIR)/notifyCutoffs.F90 |
106 |
|
|
107 |
|
DIR:=. |
108 |
|
C_SRCS := $(C_FILES) |
161 |
|
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
162 |
|
$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
163 |
|
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
164 |
< |
cat Make.temp | sed 's/^/obj\//' >> Make.dep |
165 |
< |
cat Make.temp | sed 's/^/MPIobj\//' >> Make.dep |
164 |
> |
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
165 |
> |
cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
166 |
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
167 |
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
168 |
|
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
240 |
|
obj/calc_dipole_dipole$(O) \ |
241 |
|
obj/calc_reaction_field$(O) \ |
242 |
|
obj/calc_gb$(O) \ |
243 |
< |
obj/force_globals$(O) |
243 |
> |
obj/force_globals$(O) \ |
244 |
> |
obj/vector_class$(O) |
245 |
|
|
246 |
+ |
obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
247 |
+ |
obj/$(F_MACH_DEFS) \ |
248 |
+ |
obj/atype_module$(O) \ |
249 |
+ |
obj/calc_LJ_FF$(O) \ |
250 |
+ |
obj/calc_dipole_dipole$(O) \ |
251 |
+ |
obj/calc_reaction_field$(O) \ |
252 |
+ |
obj/do_Forces$(O) |
253 |
+ |
|
254 |
|
obj/wrappers$(O): ./wrappers.F90 \ |
255 |
|
obj/$(F_MACH_DEFS) \ |
256 |
|
obj/atype_module$(O) \ |
257 |
|
obj/simulation_module$(O) \ |
258 |
|
obj/calc_sticky_pair$(O) \ |
259 |
|
obj/calc_gb$(O) \ |
260 |
< |
obj/do_Forces$(O) |
260 |
> |
obj/do_Forces$(O) \ |
261 |
> |
obj/notifyCutoffs$(O) |
262 |
|
|
263 |
+ |
|
264 |
+ |
|
265 |
+ |
|
266 |
+ |
|
267 |
+ |
|
268 |
|
#MPI dependencies: |
269 |
|
|
270 |
|
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
343 |
|
MPIobj/calc_dipole_dipole$(O) \ |
344 |
|
MPIobj/calc_reaction_field$(O) \ |
345 |
|
MPIobj/calc_gb$(O) \ |
346 |
< |
MPIobj/force_globals$(O) |
346 |
> |
MPIobj/force_globals$(O) \ |
347 |
> |
MPIobj/vector_class$(O) |
348 |
|
|
349 |
+ |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
350 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
351 |
+ |
MPIobj/atype_module$(O) \ |
352 |
+ |
MPIobj/calc_LJ_FF$(O) \ |
353 |
+ |
MPIobj/calc_dipole_dipole$(O) \ |
354 |
+ |
MPIobj/calc_reaction_field$(O) \ |
355 |
+ |
MPIobj/do_Forces$(O) |
356 |
+ |
|
357 |
|
MPIobj/wrappers$(O): ./wrappers.F90 \ |
358 |
|
MPIobj/$(F_MACH_DEFS) \ |
359 |
|
MPIobj/mpiSimulation_module$(O) \ |
361 |
|
MPIobj/simulation_module$(O) \ |
362 |
|
MPIobj/calc_sticky_pair$(O) \ |
363 |
|
MPIobj/calc_gb$(O) \ |
364 |
< |
MPIobj/do_Forces$(O) |
364 |
> |
MPIobj/do_Forces$(O) \ |
365 |
> |
MPIobj/notifyCutoffs$(O) |