46 |
|
# MPICH include path |
47 |
|
MPI_INC=@MPI_INC@ |
48 |
|
|
49 |
+ |
# MODDIRFLAG |
50 |
+ |
MODDIRFLAG=@MODDIRFLAG@ |
51 |
+ |
|
52 |
|
# MPI F90 Module path |
53 |
|
MPI_F90_MODS=@MPI_F90_MODS@ |
54 |
|
|
98 |
|
# C++ flags |
99 |
|
CXXFLAGS_C=@CXXFLAGS@ |
100 |
|
|
101 |
+ |
# C++ template flags |
102 |
+ |
OOPSE_TEMPLATE_FLAGS=@OOPSE_TEMPLATE_FLAGS@ |
103 |
+ |
|
104 |
+ |
# C++ namespace flags |
105 |
+ |
EXTRA_CC_FLAG=@EXTRA_CC_FLAG@ |
106 |
+ |
|
107 |
|
# Preprocessor flag for fortran |
108 |
|
PREPFLAG=@PREPFLAG@ |
109 |
|
|
111 |
|
PREPDEFFLAG=@PREPDEFFLAG@ |
112 |
|
|
113 |
|
# Fortran flags |
114 |
< |
FFLAGS_C=@F90FLAGS@ |
114 |
> |
FFLAGS_C=@FFLAGS@ |
115 |
|
|
116 |
+ |
# Fortran90 flags |
117 |
+ |
F90FLAGS_C=@F90FLAGS@ |
118 |
+ |
|
119 |
|
# LDFLAGS |
120 |
|
LDFLAGS=@LDFLAGS@ |
121 |
|
|
127 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
128 |
|
|
129 |
|
INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) |
130 |
< |
MPI_INCLUDES= -I$(MPI_INC) $(MPI_F90_MODS) |
130 |
> |
MPI_INCLUDES= -I$(MPI_INC) $(MODDIRFLAG)$(MPI_F90_MODS) |
131 |
> |
F90_INCLUDES= -I/usr/local/include |
132 |
|
|
133 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) |
134 |
< |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
134 |
> |
CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
135 |
|
FFLAGS=$(PREPFLAG) $(FFLAGS_C) |
136 |
+ |
F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) $(F90_INCLUDES) |
137 |
|
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES) |
138 |
|
|
139 |
|
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
140 |
|
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
141 |
< |
MPI_FFLAGS=$(FFLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES) |
141 |
> |
MPI_F90FLAGS=$(F90FLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES) |
142 |
|
|
143 |
< |
SRC_DIR := $(PWD) |
143 |
> |
SRC_DIR := .. |
144 |
|
|
145 |
|
# Then do the compile rules: |
146 |
|
|
147 |
|
obj/%.o: %.F90 |
148 |
< |
cd obj; $(F90) $(FFLAGS) -c $(SRC_DIR)/$< |
148 |
> |
cd obj; $(F90) $(F90FLAGS) -c $(SRC_DIR)/$< |
149 |
|
|
150 |
|
MPIobj/%.o: %.F90 |
151 |
< |
cd MPIobj; $(F90) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
151 |
> |
cd MPIobj; $(F90) $(MPI_F90FLAGS) -c $(SRC_DIR)/$< |
152 |
|
|
153 |
|
obj/%.o: %.cpp |
154 |
|
cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
176 |
|
$(DIR)/BondExtensions.cpp \ |
177 |
|
$(DIR)/DirectionalAtom.cpp \ |
178 |
|
$(DIR)/DumpWriter.cpp \ |
179 |
+ |
$(DIR)/DumpReader.cpp \ |
180 |
|
$(DIR)/Exclude.cpp \ |
181 |
|
$(DIR)/InitializeFromFile.cpp \ |
182 |
|
$(DIR)/LJFF.cpp \ |
197 |
|
$(DIR)/Molecule.cpp \ |
198 |
|
$(DIR)/NPTf.cpp \ |
199 |
|
$(DIR)/NPTi.cpp \ |
200 |
< |
$(DIR)/NPTxym.cpp \ |
186 |
< |
$(DIR)/NPTzm.cpp \ |
200 |
> |
$(DIR)/NPTxyz.cpp \ |
201 |
|
$(DIR)/NVT.cpp \ |
202 |
|
$(DIR)/SimState.cpp \ |
203 |
|
$(DIR)/ZConstraint.cpp \ |
204 |
|
$(DIR)/ZConsWriter.cpp \ |
205 |
+ |
$(DIR)/mdProfile.cpp \ |
206 |
|
$(DIR)/GenericData.cpp |
207 |
|
|
208 |
|
F90_FILES= \ |
222 |
|
$(DIR)/calc_gb.F90 \ |
223 |
|
$(DIR)/force_globals.F90 \ |
224 |
|
$(DIR)/mpiSimulation_module.F90 \ |
225 |
< |
$(DIR)/notifyCutoffs.F90 |
225 |
> |
$(DIR)/notifyCutoffs.F90 \ |
226 |
> |
$(DIR)/oopseMPI_module.F90 \ |
227 |
> |
$(DIR)/timing.F90 |
228 |
|
|
229 |
|
DIR:=. |
230 |
|
C_SRCS := $(C_FILES) |
395 |
|
obj/do_Forces$(O) \ |
396 |
|
obj/notifyCutoffs$(O) |
397 |
|
|
398 |
+ |
obj/timing$(O): ./timing.F90 \ |
399 |
+ |
obj/do_Forces$(O) |
400 |
|
|
401 |
|
|
402 |
|
|
384 |
– |
|
385 |
– |
|
403 |
|
#MPI dependencies: |
404 |
|
|
405 |
|
MPIobj/definitions_module$(O): ./definitions_module.F90 |
408 |
|
|
409 |
|
MPIobj/status_module$(O): ./status_module.F90 |
410 |
|
|
411 |
< |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
411 |
> |
MPIobj/oopseMPI_module$(O): ./oopseMPI_module.F90 |
412 |
|
|
413 |
+ |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 \ |
414 |
+ |
MPIobj/oopseMPI_module$(O) |
415 |
+ |
|
416 |
|
MPIobj/force_globals$(O): ./force_globals.F90 \ |
417 |
|
MPIobj/mpiSimulation_module$(O) \ |
418 |
|
MPIobj/definitions_module$(O) |
514 |
|
MPIobj/do_Forces$(O) \ |
515 |
|
MPIobj/notifyCutoffs$(O) |
516 |
|
|
517 |
+ |
MPIobj/timing$(O): ./timing.F90 \ |
518 |
+ |
MPIobj/do_Forces$(O) \ |
519 |
+ |
MPIobj/mpiSimulation_module$(O) |