1 |
##################################################### |
2 |
# Makefile for libmdtools (bundled with OOPSE) # |
3 |
##################################################### |
4 |
# You should not change anything here. # |
5 |
##################################################### |
6 |
|
7 |
TOP=.. |
8 |
|
9 |
include $(TOP)/Make.conf |
10 |
|
11 |
.SUFFIXES : .c .cpp .F90 .hpp .h $(O) |
12 |
|
13 |
# First do compile-time flags: |
14 |
|
15 |
DECLARES= -DFRC_PATH="$(FORCE_PARAM_DIR)" |
16 |
MPI_DECLARES= -DIS_MPI |
17 |
|
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$(MPI_F90_MODS) |
22 |
|
23 |
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
24 |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
25 |
FFLAGS=$(FFLAGS_C) |
26 |
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS -I$(SPRNG_INC) $(MPI_INCLUDES) |
27 |
|
28 |
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
29 |
MPI_CXXFLAGS=$(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 $(SRC_DIR)/$< |
38 |
|
39 |
MPIobj/%.o: %.F90 |
40 |
cd MPIobj; $(FC) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
41 |
|
42 |
obj/%.o: %.cpp |
43 |
cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
44 |
|
45 |
MPIobj/%.o: %.cpp |
46 |
cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
47 |
|
48 |
obj/%.o: %.c |
49 |
cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
50 |
|
51 |
MPIobj/%.o: %.c |
52 |
cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
53 |
|
54 |
# Then list what we have to compile |
55 |
|
56 |
C_FILES = \ |
57 |
$(DIR)/mpiForceField.c \ |
58 |
$(DIR)/fInfo.c |
59 |
|
60 |
CXX_FILES = \ |
61 |
$(DIR)/Atom.cpp \ |
62 |
$(DIR)/Bend.cpp \ |
63 |
$(DIR)/BendExtensions.cpp \ |
64 |
$(DIR)/Bond.cpp \ |
65 |
$(DIR)/BondExtensions.cpp \ |
66 |
$(DIR)/DirectionalAtom.cpp \ |
67 |
$(DIR)/DumpWriter.cpp \ |
68 |
$(DIR)/Exclude.cpp \ |
69 |
$(DIR)/InitializeFromFile.cpp \ |
70 |
$(DIR)/LJFF.cpp \ |
71 |
$(DIR)/EAM_FF.cpp \ |
72 |
$(DIR)/SimInfo.cpp \ |
73 |
$(DIR)/SimSetup.cpp \ |
74 |
$(DIR)/StatWriter.cpp \ |
75 |
$(DIR)/Integrator.cpp \ |
76 |
$(DIR)/Thermo.cpp \ |
77 |
$(DIR)/GhostBend.cpp \ |
78 |
$(DIR)/Torsion.cpp \ |
79 |
$(DIR)/TorsionExtensions.cpp \ |
80 |
$(DIR)/DUFF.cpp \ |
81 |
$(DIR)/randomSPRNG.cpp \ |
82 |
$(DIR)/fortranWrappers.cpp \ |
83 |
$(DIR)/ForceFields.cpp \ |
84 |
$(DIR)/mpiSimulation.cpp \ |
85 |
$(DIR)/Molecule.cpp \ |
86 |
$(DIR)/SimState.cpp \ |
87 |
$(DIR)/ZConstraint.cpp \ |
88 |
$(DIR)/ZConsWriter.cpp \ |
89 |
$(DIR)/GenericData.cpp \ |
90 |
$(DIR)/ZConsReader.cpp |
91 |
|
92 |
F90_FILES= \ |
93 |
$(DIR)/Linux_ifc_machdep.F90 \ |
94 |
$(DIR)/status_module.F90 \ |
95 |
$(DIR)/atype_module.F90 \ |
96 |
$(DIR)/calc_dipole_dipole.F90 \ |
97 |
$(DIR)/calc_reaction_field.F90 \ |
98 |
$(DIR)/calc_LJ_FF.F90 \ |
99 |
$(DIR)/calc_eam.F90 \ |
100 |
$(DIR)/calc_sticky_pair.F90 \ |
101 |
$(DIR)/do_Forces.F90 \ |
102 |
$(DIR)/vector_class.F90 \ |
103 |
$(DIR)/simulation_module.F90 \ |
104 |
$(DIR)/wrappers.F90 \ |
105 |
$(DIR)/neighborLists.F90 \ |
106 |
$(DIR)/calc_gb.F90 \ |
107 |
$(DIR)/force_globals.F90 \ |
108 |
$(DIR)/mpiSimulation_module.F90 \ |
109 |
$(DIR)/notifyCutoffs.F90 |
110 |
|
111 |
DIR:=. |
112 |
C_SRCS := $(C_FILES) |
113 |
CXX_SRCS := $(CXX_FILES) |
114 |
F90_SRCS := $(F90_FILES) |
115 |
SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS) |
116 |
|
117 |
DIR:=obj |
118 |
C_OBJS := $(C_FILES:.c=.o) |
119 |
CXX_OBJS := $(CXX_FILES:.cpp=.o) |
120 |
F90_OBJS := $(F90_FILES:.F90=.o) |
121 |
OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS) |
122 |
|
123 |
DIR:=MPIobj |
124 |
C_MPIOBJS := $(C_FILES:.c=.o) |
125 |
CXX_MPIOBJS := $(CXX_FILES:.cpp=.o) |
126 |
F90_MPIOBJS := $(F90_FILES:.F90=.o) |
127 |
MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS) |
128 |
|
129 |
LIBSUBDIRS = \ |
130 |
obj \ |
131 |
MPIobj |
132 |
|
133 |
# Possible make targets: |
134 |
|
135 |
all: Make.dep libmdtools.a libmdtools_MPI.a |
136 |
|
137 |
libmdtools.a: $(OBJS) |
138 |
$(RM) $@ |
139 |
$(AR) cr $@ $(OBJS) |
140 |
$(RANLIB) $@ |
141 |
|
142 |
libmdtools_MPI.a: $(MPIOBJS) |
143 |
$(RM) $@ |
144 |
$(AR) cr $@ $(MPIOBJS) |
145 |
$(RANLIB) $@ |
146 |
|
147 |
.PHONY : clean |
148 |
|
149 |
clean : dummy |
150 |
for i in $(LIBSUBDIRS); do \ |
151 |
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
152 |
done |
153 |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp |
154 |
|
155 |
distclean : dummy |
156 |
for i in $(LIBSUBDIRS); do \ |
157 |
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
158 |
done |
159 |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp Make.dep |
160 |
|
161 |
depend : Make.dep |
162 |
|
163 |
Make.dep : $(SRCS) |
164 |
echo "Only C dependencies are made automagically!" |
165 |
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
166 |
$(CC) $(DEPFLAGS) -MM $(C_SRCS) \ |
167 |
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
168 |
$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \ |
169 |
| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp |
170 |
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
171 |
cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
172 |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
173 |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
174 |
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
175 |
$(RM) Make.ftemp Make.temp |
176 |
|
177 |
install : dummy |
178 |
|
179 |
links : dummy |
180 |
|
181 |
tests : dummy |
182 |
|
183 |
dummy : |
184 |
|
185 |
include Make.dep |
186 |
|
187 |
obj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
188 |
|
189 |
obj/vector_class$(O): ./vector_class.F90 |
190 |
|
191 |
obj/status_module$(O): ./status_module.F90 |
192 |
|
193 |
obj/force_globals$(O): ./force_globals.F90 \ |
194 |
obj/$(F_MACH_DEFS) |
195 |
|
196 |
obj/neighborLists$(O): ./neighborLists.F90 \ |
197 |
obj/$(F_MACH_DEFS) |
198 |
|
199 |
obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
200 |
obj/$(F_MACH_DEFS) \ |
201 |
obj/simulation_module$(O) \ |
202 |
obj/force_globals$(O) |
203 |
|
204 |
obj/calc_eam$(O): ./calc_eam.F90 \ |
205 |
obj/$(F_MACH_DEFS) \ |
206 |
obj/atype_module$(O) \ |
207 |
obj/simulation_module$(O) \ |
208 |
obj/vector_class$(O) \ |
209 |
obj/force_globals$(O) \ |
210 |
obj/status_module$(O) |
211 |
|
212 |
obj/calc_gb$(O): ./calc_gb.F90 \ |
213 |
obj/$(F_MACH_DEFS) \ |
214 |
obj/simulation_module$(O) \ |
215 |
obj/force_globals$(O) |
216 |
|
217 |
obj/atype_module$(O): ./atype_module.F90 \ |
218 |
obj/$(F_MACH_DEFS) \ |
219 |
obj/vector_class$(O) |
220 |
|
221 |
obj/simulation_module$(O): ./simulation_module.F90 \ |
222 |
obj/$(F_MACH_DEFS) \ |
223 |
obj/vector_class$(O) \ |
224 |
obj/force_globals$(O) \ |
225 |
obj/atype_module$(O) \ |
226 |
obj/neighborLists$(O) |
227 |
|
228 |
obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
229 |
obj/$(F_MACH_DEFS) \ |
230 |
obj/atype_module$(O) \ |
231 |
obj/simulation_module$(O) \ |
232 |
obj/vector_class$(O) \ |
233 |
obj/force_globals$(O) |
234 |
|
235 |
obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
236 |
obj/$(F_MACH_DEFS) \ |
237 |
obj/vector_class$(O) \ |
238 |
obj/atype_module$(O) \ |
239 |
obj/simulation_module$(O) \ |
240 |
obj/force_globals$(O) |
241 |
|
242 |
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
243 |
obj/$(F_MACH_DEFS) \ |
244 |
obj/atype_module$(O) \ |
245 |
obj/simulation_module$(O) \ |
246 |
obj/force_globals$(O) \ |
247 |
obj/vector_class$(O) |
248 |
|
249 |
obj/do_Forces$(O): ./do_Forces.F90 \ |
250 |
obj/$(F_MACH_DEFS) \ |
251 |
obj/atype_module$(O) \ |
252 |
obj/simulation_module$(O) \ |
253 |
obj/neighborLists$(O) \ |
254 |
obj/calc_LJ_FF$(O) \ |
255 |
obj/calc_sticky_pair$(O) \ |
256 |
obj/calc_dipole_dipole$(O) \ |
257 |
obj/calc_reaction_field$(O) \ |
258 |
obj/calc_gb$(O) \ |
259 |
obj/force_globals$(O) \ |
260 |
obj/vector_class$(O) |
261 |
|
262 |
obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
263 |
obj/$(F_MACH_DEFS) \ |
264 |
obj/atype_module$(O) \ |
265 |
obj/calc_LJ_FF$(O) \ |
266 |
obj/calc_eam$(O) \ |
267 |
obj/calc_dipole_dipole$(O) \ |
268 |
obj/calc_reaction_field$(O) \ |
269 |
obj/do_Forces$(O) |
270 |
|
271 |
obj/wrappers$(O): ./wrappers.F90 \ |
272 |
obj/$(F_MACH_DEFS) \ |
273 |
obj/atype_module$(O) \ |
274 |
obj/simulation_module$(O) \ |
275 |
obj/calc_sticky_pair$(O) \ |
276 |
obj/calc_gb$(O) \ |
277 |
obj/do_Forces$(O) \ |
278 |
obj/notifyCutoffs$(O) |
279 |
|
280 |
|
281 |
|
282 |
|
283 |
|
284 |
|
285 |
#MPI dependencies: |
286 |
|
287 |
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
288 |
|
289 |
MPIobj/vector_class$(O): ./vector_class.F90 |
290 |
|
291 |
MPIobj/status_module$(O): ./status_module.F90 |
292 |
|
293 |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
294 |
|
295 |
MPIobj/force_globals$(O): ./force_globals.F90 \ |
296 |
MPIobj/mpiSimulation_module$(O) \ |
297 |
MPIobj/$(F_MACH_DEFS) |
298 |
|
299 |
MPIobj/neighborLists$(O): ./neighborLists.F90 \ |
300 |
MPIobj/$(F_MACH_DEFS) \ |
301 |
MPIobj/mpiSimulation_module$(O) |
302 |
|
303 |
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
304 |
MPIobj/$(F_MACH_DEFS) \ |
305 |
MPIobj/simulation_module$(O) \ |
306 |
MPIobj/mpiSimulation_module$(O) \ |
307 |
MPIobj/force_globals$(O) |
308 |
|
309 |
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
310 |
MPIobj/$(F_MACH_DEFS) \ |
311 |
MPIobj/simulation_module$(O) \ |
312 |
MPIobj/mpiSimulation_module$(O) \ |
313 |
MPIobj/force_globals$(O) |
314 |
|
315 |
MPIobj/calc_eam$(O): ./calc_eam.F90 \ |
316 |
MPIobj/$(F_MACH_DEFS) \ |
317 |
MPIobj/atype_module$(O) \ |
318 |
MPIobj/simulation_module$(O) \ |
319 |
MPIobj/mpiSimulation_module$(O) \ |
320 |
MPIobj/vector_class$(O) \ |
321 |
MPIobj/force_globals$(O) \ |
322 |
MPIobj/status_module$(O) |
323 |
|
324 |
|
325 |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
326 |
MPIobj/$(F_MACH_DEFS) \ |
327 |
MPIobj/vector_class$(O) |
328 |
|
329 |
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
330 |
MPIobj/$(F_MACH_DEFS) \ |
331 |
MPIobj/atype_module$(O) \ |
332 |
MPIobj/vector_class$(O) \ |
333 |
MPIobj/force_globals$(O) \ |
334 |
MPIobj/mpiSimulation_module$(O) \ |
335 |
MPIobj/atype_module$(O) \ |
336 |
MPIobj/neighborLists$(O) |
337 |
|
338 |
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
339 |
MPIobj/$(F_MACH_DEFS) \ |
340 |
MPIobj/atype_module$(O) \ |
341 |
MPIobj/simulation_module$(O) \ |
342 |
MPIobj/mpiSimulation_module$(O) \ |
343 |
MPIobj/atype_module$(O) \ |
344 |
MPIobj/vector_class$(O) \ |
345 |
MPIobj/force_globals$(O) |
346 |
|
347 |
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
348 |
MPIobj/$(F_MACH_DEFS) \ |
349 |
MPIobj/atype_module$(O) \ |
350 |
MPIobj/simulation_module$(O) \ |
351 |
MPIobj/mpiSimulation_module$(O) \ |
352 |
MPIobj/vector_class$(O) \ |
353 |
MPIobj/atype_module$(O) \ |
354 |
MPIobj/force_globals$(O) |
355 |
|
356 |
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
357 |
MPIobj/$(F_MACH_DEFS) \ |
358 |
MPIobj/atype_module$(O) \ |
359 |
MPIobj/simulation_module$(O) \ |
360 |
MPIobj/mpiSimulation_module$(O) \ |
361 |
MPIobj/force_globals$(O) \ |
362 |
MPIobj/vector_class$(O) |
363 |
|
364 |
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
365 |
MPIobj/$(F_MACH_DEFS) \ |
366 |
MPIobj/mpiSimulation_module$(O) \ |
367 |
MPIobj/atype_module$(O) \ |
368 |
MPIobj/simulation_module$(O) \ |
369 |
MPIobj/neighborLists$(O) \ |
370 |
MPIobj/calc_LJ_FF$(O) \ |
371 |
MPIobj/calc_sticky_pair$(O) \ |
372 |
MPIobj/calc_dipole_dipole$(O) \ |
373 |
MPIobj/calc_reaction_field$(O) \ |
374 |
MPIobj/calc_gb$(O) \ |
375 |
MPIobj/force_globals$(O) \ |
376 |
MPIobj/vector_class$(O) |
377 |
|
378 |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
379 |
MPIobj/$(F_MACH_DEFS) \ |
380 |
MPIobj/atype_module$(O) \ |
381 |
MPIobj/calc_LJ_FF$(O) \ |
382 |
MPIobj/calc_eam$(O) \ |
383 |
MPIobj/calc_dipole_dipole$(O) \ |
384 |
MPIobj/calc_reaction_field$(O) \ |
385 |
MPIobj/do_Forces$(O) |
386 |
|
387 |
MPIobj/wrappers$(O): ./wrappers.F90 \ |
388 |
MPIobj/$(F_MACH_DEFS) \ |
389 |
MPIobj/mpiSimulation_module$(O) \ |
390 |
MPIobj/atype_module$(O) \ |
391 |
MPIobj/simulation_module$(O) \ |
392 |
MPIobj/calc_sticky_pair$(O) \ |
393 |
MPIobj/calc_gb$(O) \ |
394 |
MPIobj/do_Forces$(O) \ |
395 |
MPIobj/notifyCutoffs$(O) |