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root/group/trunk/OOPSE/libmdtools/Makefile
Revision: 605
Committed: Tue Jul 15 03:27:24 2003 UTC (20 years, 11 months ago) by gezelter
File size: 8478 byte(s)
Log Message:
Bugfix in NPTim, fixes for NPTfm

File Contents

# User Rev Content
1 mmeineke 377 #####################################################
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 $(O)
12    
13     # First do compile-time flags:
14    
15 gezelter 385 DECLARES= -DFRC_PATH="$(FORCE_PARAM_DIR)"
16 mmeineke 377 MPI_DECLARES= -DIS_MPI
17    
18     # include paths starting with "." are all relative to the SUBDIRS!!!
19    
20     INCLUDES= -I.. -I../../libBASS -I$(SPRNG_INC)
21 mmeineke 447 MPI_INCLUDES= -I$(MPICH_INC) -I$(MPI_F90_MODS)
22 mmeineke 377
23     CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES)
24     CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES)
25     FFLAGS=$(FFLAGS_C) $(DECLARES)
26     DEPFLAGS=$(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 mmeineke 561 SRC_DIR := $(PWD)
33    
34 mmeineke 377 # Then do the compile rules:
35    
36     obj/%.o: %.F90
37 mmeineke 561 cd obj; $(FC) $(FFLAGS) -c $(SRC_DIR)/$<
38 mmeineke 377
39     MPIobj/%.o: %.F90
40 mmeineke 561 cd MPIobj; $(FC) $(MPI_FFLAGS) -c $(SRC_DIR)/$<
41 mmeineke 377
42     obj/%.o: %.cpp
43 mmeineke 561 cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$<
44 mmeineke 377
45     MPIobj/%.o: %.cpp
46 mmeineke 561 cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$<
47 mmeineke 377
48     obj/%.o: %.c
49 mmeineke 561 cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$<
50 mmeineke 377
51     MPIobj/%.o: %.c
52 mmeineke 561 cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$<
53 mmeineke 377
54     # Then list what we have to compile
55    
56     C_FILES = $(DIR)/mpiForceField.c
57    
58     CXX_FILES = \
59 gezelter 411 $(DIR)/Atom.cpp \
60 mmeineke 377 $(DIR)/Bend.cpp \
61     $(DIR)/BendExtensions.cpp \
62     $(DIR)/Bond.cpp \
63     $(DIR)/BondExtensions.cpp \
64     $(DIR)/DirectionalAtom.cpp \
65     $(DIR)/DumpWriter.cpp \
66 gezelter 411 $(DIR)/Exclude.cpp \
67 mmeineke 377 $(DIR)/InitializeFromFile.cpp \
68 mmeineke 559 $(DIR)/LJFF.cpp \
69 mmeineke 377 $(DIR)/SimInfo.cpp \
70     $(DIR)/SimSetup.cpp \
71     $(DIR)/StatWriter.cpp \
72 mmeineke 559 $(DIR)/Integrator.cpp \
73 mmeineke 377 $(DIR)/Thermo.cpp \
74     $(DIR)/GhostBend.cpp \
75     $(DIR)/Torsion.cpp \
76     $(DIR)/TorsionExtensions.cpp \
77 mmeineke 559 $(DIR)/DUFF.cpp \
78 mmeineke 377 $(DIR)/randomSPRNG.cpp \
79     $(DIR)/fortranWrappers.cpp \
80     $(DIR)/ForceFields.cpp \
81 mmeineke 424 $(DIR)/mpiSimulation.cpp \
82 mmeineke 561 $(DIR)/Molecule.cpp \
83 gezelter 574 $(DIR)/NVT.cpp \
84 gezelter 578 $(DIR)/NPTi.cpp \
85 gezelter 604 $(DIR)/NPTf.cpp \
86 gezelter 605 $(DIR)/NPTim.cpp \
87     $(DIR)/NPTfm.cpp
88 mmeineke 377
89    
90     F90_FILES= \
91     $(DIR)/Linux_ifc_machdep.F90 \
92     $(DIR)/atype_module.F90 \
93     $(DIR)/f_verlet_constrained.F90 \
94     $(DIR)/calc_dipole_dipole.F90 \
95     $(DIR)/calc_reaction_field.F90 \
96     $(DIR)/calc_LJ_FF.F90 \
97     $(DIR)/calc_sticky_pair.F90 \
98     $(DIR)/do_Forces.F90 \
99     $(DIR)/vector_class.F90 \
100     $(DIR)/simulation_module.F90 \
101     $(DIR)/wrappers.F90 \
102     $(DIR)/neighborLists.F90 \
103     $(DIR)/calc_gb.F90 \
104     $(DIR)/force_globals.F90 \
105     $(DIR)/mpiSimulation_module.F90
106    
107     DIR:=.
108     C_SRCS := $(C_FILES)
109     CXX_SRCS := $(CXX_FILES)
110     F90_SRCS := $(F90_FILES)
111 gezelter 385 SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS)
112 mmeineke 377
113     DIR:=obj
114     C_OBJS := $(C_FILES:.c=.o)
115     CXX_OBJS := $(CXX_FILES:.cpp=.o)
116     F90_OBJS := $(F90_FILES:.F90=.o)
117     OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS)
118    
119     DIR:=MPIobj
120     C_MPIOBJS := $(C_FILES:.c=.o)
121     CXX_MPIOBJS := $(CXX_FILES:.cpp=.o)
122     F90_MPIOBJS := $(F90_FILES:.F90=.o)
123     MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS)
124    
125     LIBSUBDIRS = \
126     obj \
127     MPIobj
128    
129     # Possible make targets:
130    
131 mmeineke 379 all: Make.dep libmdtools.a libmdtools_MPI.a
132 mmeineke 377
133     libmdtools.a: $(OBJS)
134     $(RM) $@
135     $(AR) cr $@ $(OBJS)
136     $(RANLIB) $@
137    
138     libmdtools_MPI.a: $(MPIOBJS)
139     $(RM) $@
140     $(AR) cr $@ $(MPIOBJS)
141     $(RANLIB) $@
142    
143     .PHONY : clean
144    
145     clean : dummy
146     for i in $(LIBSUBDIRS); do \
147     (cd $$i; $(RM) *.o *.mod) || exit 1; \
148     done
149     $(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp
150    
151     distclean : dummy
152     for i in $(LIBSUBDIRS); do \
153     (cd $$i; $(RM) *.o *.mod) || exit 1; \
154     done
155 gezelter 385 $(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp Make.dep
156 mmeineke 377
157 gezelter 385 depend : Make.dep
158 mmeineke 379
159 gezelter 385 Make.dep : $(SRCS)
160 mmeineke 377 echo "Only C dependencies are made automagically!"
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 mmeineke 573 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 gezelter 385 # ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90
167     # ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90
168 mmeineke 377 # cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep
169     $(RM) Make.ftemp Make.temp
170    
171     install : dummy
172    
173     links : dummy
174    
175     tests : dummy
176    
177     dummy :
178    
179     include Make.dep
180    
181 gezelter 386 obj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90
182 mmeineke 377
183 gezelter 386 obj/vector_class$(O): ./vector_class.F90
184 mmeineke 377
185 gezelter 386 obj/force_globals$(O): ./force_globals.F90 \
186 mmeineke 377 obj/$(F_MACH_DEFS)
187    
188 gezelter 386 obj/neighborLists$(O): ./neighborLists.F90 \
189 mmeineke 377 obj/$(F_MACH_DEFS)
190    
191 gezelter 386 obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
192 mmeineke 377 obj/$(F_MACH_DEFS) \
193 chuckv 460 obj/simulation_module$(O) \
194 mmeineke 377 obj/force_globals$(O)
195    
196 gezelter 386 obj/calc_gb$(O): ./calc_gb.F90 \
197 mmeineke 377 obj/$(F_MACH_DEFS) \
198 chuckv 460 obj/simulation_module$(O) \
199 mmeineke 377 obj/force_globals$(O)
200    
201 gezelter 386 obj/atype_module$(O): ./atype_module.F90 \
202 mmeineke 377 obj/$(F_MACH_DEFS) \
203 gezelter 462 obj/vector_class$(O)
204 mmeineke 377
205 gezelter 386 obj/simulation_module$(O): ./simulation_module.F90 \
206 mmeineke 377 obj/$(F_MACH_DEFS) \
207 chuckv 460 obj/vector_class$(O) \
208     obj/force_globals$(O) \
209 mmeineke 377 obj/atype_module$(O) \
210     obj/neighborLists$(O)
211    
212 gezelter 386 obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
213 mmeineke 377 obj/$(F_MACH_DEFS) \
214     obj/atype_module$(O) \
215 chuckv 460 obj/simulation_module$(O) \
216 mmeineke 377 obj/vector_class$(O) \
217     obj/force_globals$(O)
218    
219 gezelter 386 obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
220 mmeineke 377 obj/$(F_MACH_DEFS) \
221     obj/vector_class$(O) \
222 gezelter 462 obj/atype_module$(O) \
223 chuckv 460 obj/simulation_module$(O) \
224 mmeineke 377 obj/force_globals$(O)
225    
226 gezelter 386 obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
227 mmeineke 377 obj/$(F_MACH_DEFS) \
228     obj/atype_module$(O) \
229 chuckv 460 obj/simulation_module$(O) \
230 mmeineke 377 obj/force_globals$(O) \
231     obj/vector_class$(O)
232    
233 gezelter 386 obj/do_Forces$(O): ./do_Forces.F90 \
234 mmeineke 377 obj/$(F_MACH_DEFS) \
235 gezelter 462 obj/atype_module$(O) \
236 mmeineke 377 obj/simulation_module$(O) \
237     obj/neighborLists$(O) \
238     obj/calc_LJ_FF$(O) \
239     obj/calc_sticky_pair$(O) \
240     obj/calc_dipole_dipole$(O) \
241     obj/calc_reaction_field$(O) \
242     obj/calc_gb$(O) \
243     obj/force_globals$(O)
244    
245 gezelter 386 obj/wrappers$(O): ./wrappers.F90 \
246 mmeineke 377 obj/$(F_MACH_DEFS) \
247 gezelter 462 obj/atype_module$(O) \
248 mmeineke 377 obj/simulation_module$(O) \
249 gezelter 462 obj/calc_sticky_pair$(O) \
250     obj/calc_gb$(O) \
251 mmeineke 377 obj/do_Forces$(O)
252    
253     #MPI dependencies:
254    
255 gezelter 386 MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90
256 mmeineke 377
257 gezelter 386 MPIobj/vector_class$(O): ./vector_class.F90
258 mmeineke 377
259 gezelter 386 MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90
260 mmeineke 377
261 gezelter 386 MPIobj/force_globals$(O): ./force_globals.F90 \
262 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
263     MPIobj/$(F_MACH_DEFS)
264    
265 gezelter 386 MPIobj/neighborLists$(O): ./neighborLists.F90 \
266 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
267     MPIobj/mpiSimulation_module$(O)
268    
269 gezelter 386 MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
270 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
271 chuckv 460 MPIobj/simulation_module$(O) \
272 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
273     MPIobj/force_globals$(O)
274    
275 gezelter 386 MPIobj/calc_gb$(O): ./calc_gb.F90 \
276 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
277 chuckv 460 MPIobj/simulation_module$(O) \
278 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
279     MPIobj/force_globals$(O)
280    
281 gezelter 386 MPIobj/atype_module$(O): ./atype_module.F90 \
282 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
283 gezelter 462 MPIobj/vector_class$(O)
284 mmeineke 377
285 gezelter 386 MPIobj/simulation_module$(O): ./simulation_module.F90 \
286 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
287 gezelter 462 MPIobj/atype_module$(O) \
288 chuckv 460 MPIobj/vector_class$(O) \
289     MPIobj/force_globals$(O) \
290 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
291     MPIobj/atype_module$(O) \
292     MPIobj/neighborLists$(O)
293    
294 gezelter 386 MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
295 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
296 gezelter 462 MPIobj/atype_module$(O) \
297 chuckv 460 MPIobj/simulation_module$(O) \
298 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
299     MPIobj/atype_module$(O) \
300     MPIobj/vector_class$(O) \
301     MPIobj/force_globals$(O)
302    
303 gezelter 386 MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
304 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
305 gezelter 462 MPIobj/atype_module$(O) \
306 chuckv 460 MPIobj/simulation_module$(O) \
307 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
308     MPIobj/vector_class$(O) \
309     MPIobj/atype_module$(O) \
310     MPIobj/force_globals$(O)
311    
312 gezelter 386 MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
313 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
314 gezelter 462 MPIobj/atype_module$(O) \
315 chuckv 460 MPIobj/simulation_module$(O) \
316 mmeineke 377 MPIobj/mpiSimulation_module$(O) \
317     MPIobj/force_globals$(O) \
318     MPIobj/vector_class$(O)
319    
320 gezelter 386 MPIobj/do_Forces$(O): ./do_Forces.F90 \
321 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
322     MPIobj/mpiSimulation_module$(O) \
323 gezelter 462 MPIobj/atype_module$(O) \
324 mmeineke 377 MPIobj/simulation_module$(O) \
325     MPIobj/neighborLists$(O) \
326     MPIobj/calc_LJ_FF$(O) \
327     MPIobj/calc_sticky_pair$(O) \
328     MPIobj/calc_dipole_dipole$(O) \
329     MPIobj/calc_reaction_field$(O) \
330     MPIobj/calc_gb$(O) \
331     MPIobj/force_globals$(O)
332    
333 gezelter 386 MPIobj/wrappers$(O): ./wrappers.F90 \
334 mmeineke 377 MPIobj/$(F_MACH_DEFS) \
335     MPIobj/mpiSimulation_module$(O) \
336 gezelter 462 MPIobj/atype_module$(O) \
337 mmeineke 377 MPIobj/simulation_module$(O) \
338 gezelter 462 MPIobj/calc_sticky_pair$(O) \
339     MPIobj/calc_gb$(O) \
340 mmeineke 377 MPIobj/do_Forces$(O)