12 |
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13 |
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# First do compile-time flags: |
14 |
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15 |
< |
DECLARES= -DFRC_PATH="$(OOPSE_HOME)/forcefields" |
15 |
> |
DECLARES= -DFRC_PATH="$(FORCE_PARAM_DIR)" |
16 |
|
MPI_DECLARES= -DIS_MPI |
17 |
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18 |
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# include paths starting with "." are all relative to the SUBDIRS!!! |
54 |
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C_FILES = $(DIR)/mpiForceField.c |
55 |
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56 |
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CXX_FILES = \ |
57 |
+ |
$(DIR)/Atom.cpp \ |
58 |
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$(DIR)/Bend.cpp \ |
59 |
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$(DIR)/BendExtensions.cpp \ |
60 |
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$(DIR)/Bond.cpp \ |
62 |
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$(DIR)/DipoleTestFF.cpp \ |
63 |
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$(DIR)/DirectionalAtom.cpp \ |
64 |
|
$(DIR)/DumpWriter.cpp \ |
65 |
+ |
$(DIR)/Exclude.cpp \ |
66 |
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$(DIR)/InitializeFromFile.cpp \ |
67 |
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$(DIR)/LJ_FF.cpp \ |
68 |
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$(DIR)/SimInfo.cpp \ |
103 |
|
C_SRCS := $(C_FILES) |
104 |
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CXX_SRCS := $(CXX_FILES) |
105 |
|
F90_SRCS := $(F90_FILES) |
106 |
+ |
SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS) |
107 |
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|
108 |
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DIR:=obj |
109 |
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C_OBJS := $(C_FILES:.c=.o) |
123 |
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124 |
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# Possible make targets: |
125 |
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126 |
< |
all: libmdtools.a libmdtools_MPI.a |
126 |
> |
all: Make.dep libmdtools.a libmdtools_MPI.a |
127 |
|
|
128 |
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libmdtools.a: $(OBJS) |
129 |
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$(RM) $@ |
147 |
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for i in $(LIBSUBDIRS); do \ |
148 |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
149 |
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done |
150 |
< |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp |
150 |
> |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp Make.dep |
151 |
|
|
152 |
< |
depend : |
152 |
> |
depend : Make.dep |
153 |
> |
|
154 |
> |
Make.dep : $(SRCS) |
155 |
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echo "Only C dependencies are made automagically!" |
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echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
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$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
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| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
159 |
|
cat Make.temp | sed 's/^/obj\//' >> Make.dep |
160 |
|
cat Make.temp | sed 's/^/MPIobj\//' >> Make.dep |
161 |
< |
# ../utils/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
162 |
< |
# ../utils/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
161 |
> |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
162 |
> |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
163 |
|
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
164 |
|
$(RM) Make.ftemp Make.temp |
165 |
|
|
173 |
|
|
174 |
|
include Make.dep |
175 |
|
|
176 |
< |
# known dependencies |
176 |
> |
obj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
177 |
|
|
178 |
< |
obj/$(F_MACH_DEFS): Linux_ifc_machdep.F90 |
178 |
> |
obj/vector_class$(O): ./vector_class.F90 |
179 |
|
|
180 |
< |
obj/vector_class$(O): vector_class.F90 |
176 |
< |
|
177 |
< |
obj/force_globals$(O): force_globals.F90 \ |
180 |
> |
obj/force_globals$(O): ./force_globals.F90 \ |
181 |
|
obj/$(F_MACH_DEFS) |
182 |
|
|
183 |
< |
obj/neighborLists$(O): neighborLists.F90 \ |
183 |
> |
obj/neighborLists$(O): ./neighborLists.F90 \ |
184 |
|
obj/$(F_MACH_DEFS) |
185 |
|
|
186 |
< |
obj/calc_sticky_pair$(O): calc_sticky_pair.F90 \ |
186 |
> |
obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
187 |
|
obj/$(F_MACH_DEFS) \ |
188 |
|
obj/force_globals$(O) |
189 |
|
|
190 |
< |
obj/calc_gb$(O): calc_gb.F90 \ |
190 |
> |
obj/calc_gb$(O): ./calc_gb.F90 \ |
191 |
|
obj/$(F_MACH_DEFS) \ |
192 |
|
obj/force_globals$(O) |
193 |
|
|
194 |
< |
obj/atype_module$(O): atype_module.F90 \ |
194 |
> |
obj/atype_module$(O): ./atype_module.F90 \ |
195 |
|
obj/$(F_MACH_DEFS) \ |
196 |
|
obj/vector_class$(O) \ |
197 |
|
obj/calc_sticky_pair$(O) \ |
198 |
|
obj/calc_gb$(O) |
199 |
|
|
200 |
< |
obj/simulation_module$(O): simulation_module.F90 \ |
200 |
> |
obj/simulation_module$(O): ./simulation_module.F90 \ |
201 |
|
obj/$(F_MACH_DEFS) \ |
202 |
|
obj/atype_module$(O) \ |
203 |
|
obj/neighborLists$(O) |
204 |
|
|
205 |
< |
obj/calc_LJ_FF$(O): calc_LJ_FF.F90 \ |
205 |
> |
obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
206 |
|
obj/$(F_MACH_DEFS) \ |
207 |
|
obj/atype_module$(O) \ |
208 |
|
obj/vector_class$(O) \ |
209 |
|
obj/force_globals$(O) |
210 |
|
|
211 |
< |
obj/calc_reaction_field$(O): calc_reaction_field.F90 \ |
211 |
> |
obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
212 |
|
obj/$(F_MACH_DEFS) \ |
213 |
|
obj/vector_class$(O) \ |
214 |
|
obj/atype_module$(O) \ |
215 |
|
obj/force_globals$(O) |
216 |
|
|
217 |
< |
obj/calc_dipole_dipole$(O): calc_dipole_dipole.F90 \ |
217 |
> |
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
218 |
|
obj/$(F_MACH_DEFS) \ |
219 |
|
obj/atype_module$(O) \ |
220 |
|
obj/force_globals$(O) \ |
221 |
|
obj/vector_class$(O) |
222 |
|
|
223 |
< |
obj/do_Forces$(O): do_Forces.F90 \ |
223 |
> |
obj/do_Forces$(O): ./do_Forces.F90 \ |
224 |
|
obj/$(F_MACH_DEFS) \ |
225 |
|
obj/simulation_module$(O) \ |
226 |
|
obj/atype_module$(O) \ |
232 |
|
obj/calc_gb$(O) \ |
233 |
|
obj/force_globals$(O) |
234 |
|
|
235 |
< |
obj/wrappers$(O): wrappers.F90 \ |
235 |
> |
obj/wrappers$(O): ./wrappers.F90 \ |
236 |
|
obj/$(F_MACH_DEFS) \ |
237 |
|
obj/simulation_module$(O) \ |
238 |
|
obj/atype_module$(O) \ |
240 |
|
|
241 |
|
#MPI dependencies: |
242 |
|
|
243 |
< |
MPIobj/$(F_MACH_DEFS): Linux_ifc_machdep.F90 |
243 |
> |
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
244 |
|
|
245 |
< |
MPIobj/vector_class$(O): vector_class.F90 |
245 |
> |
MPIobj/vector_class$(O): ./vector_class.F90 |
246 |
|
|
247 |
< |
MPIobj/mpiSimulation_module$(O): mpiSimulation_module.F90 |
247 |
> |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
248 |
|
|
249 |
< |
MPIobj/force_globals$(O): force_globals.F90 \ |
249 |
> |
MPIobj/force_globals$(O): ./force_globals.F90 \ |
250 |
|
MPIobj/mpiSimulation_module$(O) \ |
251 |
|
MPIobj/$(F_MACH_DEFS) |
252 |
|
|
253 |
< |
MPIobj/neighborLists$(O): neighborLists.F90 \ |
253 |
> |
MPIobj/neighborLists$(O): ./neighborLists.F90 \ |
254 |
|
MPIobj/$(F_MACH_DEFS) \ |
255 |
|
MPIobj/mpiSimulation_module$(O) |
256 |
|
|
257 |
< |
MPIobj/calc_sticky_pair$(O): calc_sticky_pair.F90 \ |
257 |
> |
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
258 |
|
MPIobj/$(F_MACH_DEFS) \ |
259 |
|
MPIobj/mpiSimulation_module$(O) \ |
260 |
|
MPIobj/force_globals$(O) |
261 |
|
|
262 |
< |
MPIobj/calc_gb$(O): calc_gb.F90 \ |
262 |
> |
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
263 |
|
MPIobj/$(F_MACH_DEFS) \ |
264 |
|
MPIobj/mpiSimulation_module$(O) \ |
265 |
|
MPIobj/force_globals$(O) |
266 |
|
|
267 |
< |
MPIobj/atype_module$(O): atype_module.F90 \ |
267 |
> |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
268 |
|
MPIobj/$(F_MACH_DEFS) \ |
269 |
|
MPIobj/vector_class$(O) \ |
270 |
|
MPIobj/calc_sticky_pair$(O) \ |
271 |
|
MPIobj/calc_gb$(O) |
272 |
|
|
273 |
< |
MPIobj/simulation_module$(O): simulation_module.F90 \ |
273 |
> |
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
274 |
|
MPIobj/$(F_MACH_DEFS) \ |
275 |
|
MPIobj/mpiSimulation_module$(O) \ |
276 |
|
MPIobj/atype_module$(O) \ |
277 |
|
MPIobj/neighborLists$(O) |
278 |
|
|
279 |
< |
MPIobj/calc_LJ_FF$(O): calc_LJ_FF.F90 \ |
279 |
> |
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
280 |
|
MPIobj/$(F_MACH_DEFS) \ |
281 |
|
MPIobj/mpiSimulation_module$(O) \ |
282 |
|
MPIobj/atype_module$(O) \ |
283 |
|
MPIobj/vector_class$(O) \ |
284 |
|
MPIobj/force_globals$(O) |
285 |
|
|
286 |
< |
MPIobj/calc_reaction_field$(O): calc_reaction_field.F90 \ |
286 |
> |
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
287 |
|
MPIobj/$(F_MACH_DEFS) \ |
288 |
|
MPIobj/mpiSimulation_module$(O) \ |
289 |
|
MPIobj/vector_class$(O) \ |
290 |
|
MPIobj/atype_module$(O) \ |
291 |
|
MPIobj/force_globals$(O) |
292 |
|
|
293 |
< |
MPIobj/calc_dipole_dipole$(O): calc_dipole_dipole.F90 \ |
293 |
> |
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
294 |
|
MPIobj/$(F_MACH_DEFS) \ |
295 |
|
MPIobj/mpiSimulation_module$(O) \ |
296 |
|
MPIobj/atype_module$(O) \ |
297 |
|
MPIobj/force_globals$(O) \ |
298 |
|
MPIobj/vector_class$(O) |
299 |
|
|
300 |
< |
MPIobj/do_Forces$(O): do_Forces.F90 \ |
300 |
> |
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
301 |
|
MPIobj/$(F_MACH_DEFS) \ |
302 |
|
MPIobj/mpiSimulation_module$(O) \ |
303 |
|
MPIobj/simulation_module$(O) \ |
310 |
|
MPIobj/calc_gb$(O) \ |
311 |
|
MPIobj/force_globals$(O) |
312 |
|
|
313 |
< |
MPIobj/wrappers$(O): wrappers.F90 \ |
313 |
> |
MPIobj/wrappers$(O): ./wrappers.F90 \ |
314 |
|
MPIobj/$(F_MACH_DEFS) \ |
315 |
|
MPIobj/mpiSimulation_module$(O) \ |
316 |
|
MPIobj/simulation_module$(O) \ |
317 |
|
MPIobj/atype_module$(O) \ |
318 |
|
MPIobj/do_Forces$(O) |
316 |
– |
|
317 |
– |
|