ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/Makefile.in
Revision: 1031
Committed: Fri Feb 6 18:58:06 2004 UTC (20 years, 5 months ago) by tim
File size: 12695 byte(s)
Log Message:
Add some lines into global.cpp to make it work with energy minimization

File Contents

# Content
1 #####################################################
2 # Makefile for libmdtools (bundled with OOPSE) #
3 #####################################################
4 # You should not change anything here. #
5 #####################################################
6
7 # No make rules by default
8 .SUFFIXES : .c .cpp .F90 .hpp .h $(O)
9
10 # Extension of object files
11 O=@OBJEXT@
12
13 # Extension of executables
14 EXE=@EXEEXT@
15
16 # Bourn shell
17 SHELL=/bin/sh
18
19 # Path prefix for installation links
20 PREFIX=@prefix@
21
22 # List of subdirectories
23 SUBDIRS=@SUBDIRS@
24
25 # Location of the oopse home
26 OOPSE_HOME=@OOPSE_HOME@
27
28 FORCE_PARAM_DIR=@OOPSE_HOME@/share/forceFields/
29 SAMPLE_SIM_DIR=@OOPSE_HOME@/share/samples/
30
31 # SPRNG library path
32 SPRNG_LIBDIR=@SPRNG_LIBDIR@
33
34 # SPRNG library
35 SPRNG_LIB=@SPRNG_LIB@
36
37 # SPRNG include path
38 SPRNG_INC=@SPRNG_INC@
39
40 # MPICH library path
41 MPI_LIBDIR=@MPI_LIBDIR@
42
43 # MPICH library
44 MPI_LIB=@MPI_LIB@
45
46 # MPICH include path
47 MPI_INC=@MPI_INC@
48
49 # MODDIRFLAG
50 MODDIRFLAG=@MODDIRFLAG@
51
52 # Compiler dependent Fortran module
53 FLIBS_EXTRA = @F90LIBS@
54
55 # Location of yacc (or its substitution)
56 YACC=@YACC@
57
58 #location of lex
59 LEX=@LEX@
60
61 # C compiler
62 CC=@CC@
63
64 # C++ compiler
65
66 CXX=@CXX@
67
68 # F90 compiler
69 F90=@F90@
70
71 # ar
72 AR=@AR@
73
74 # ranlib
75 RANLIB=@RANLIB@
76
77 # rm
78 RM=rm -f
79
80 # soft link
81 LN_S=@LN_S@
82
83 # BSD install
84 INSTALL=@INSTALL@
85 INSTALL_PROGRAM=@INSTALL_PROGRAM@
86 INSTALL_DATA=@INSTALL_DATA@
87 MKINSTALLDIRS=@MKINSTALLDIRS@
88
89 # CPP flags
90 CPPFLAGS=@CPPFLAGS@
91
92 # C flags
93 CFLAGS_C=@CFLAGS@
94
95 # C++ flags
96 CXXFLAGS_C=@CXXFLAGS@
97
98 # C++ template flags
99 OOPSE_TEMPLATE_FLAGS=@OOPSE_TEMPLATE_FLAGS@
100
101 # C++ namespace flags
102 EXTRA_CC_FLAG=@EXTRA_CC_FLAG@
103
104 # Preprocessor flag for fortran
105 PREPFLAG=@PREPFLAG@
106
107 # Preprocessor define flag for fortran
108 PREPDEFFLAG=@PREPDEFFLAG@
109
110 # Fortran flags
111 FFLAGS_C=@FFLAGS@
112
113 # Fortran90 flags
114 F90FLAGS_C=@F90FLAGS@
115
116 # LDFLAGS
117 LDFLAGS=@LDFLAGS@
118
119 # First do compile-time flags:
120
121 DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)"
122 MPI_DECLARE=-DIS_MPI
123
124 # include paths starting with "." are all relative to the SUBDIRS!!!
125
126 INCLUDES= -I.. -I../../libBASS $(SPRNG_INC)
127 MPI_INCLUDES= -I$(MPI_INC)
128 F90_INCLUDES= -I/usr/local/include
129
130 CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP)
131 CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP)
132 FFLAGS=$(PREPFLAG) $(FFLAGS_C)
133 F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) $(F90_INCLUDES)
134 DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES)
135
136 MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
137 MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
138 MPI_F90FLAGS=$(F90FLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES)
139
140 SRC_DIR := ..
141
142 # Then do the compile rules:
143
144 obj/%.o: %.F90
145 cd obj; $(F90) $(F90FLAGS) -c $(SRC_DIR)/$<
146
147 MPIobj/%.o: %.F90
148 cd MPIobj; $(F90) $(MPI_F90FLAGS) -c $(SRC_DIR)/$<
149
150 obj/%.o: %.cpp
151 cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$<
152
153 MPIobj/%.o: %.cpp
154 cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$<
155
156 obj/%.o: %.c
157 cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$<
158
159 MPIobj/%.o: %.c
160 cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$<
161
162 # Then list what we have to compile
163
164 C_FILES = \
165 $(DIR)/mpiForceField.c \
166 $(DIR)/fInfo.c
167
168 CXX_FILES = \
169 $(DIR)/Atom.cpp \
170 $(DIR)/Bend.cpp \
171 $(DIR)/BendExtensions.cpp \
172 $(DIR)/Bond.cpp \
173 $(DIR)/BondExtensions.cpp \
174 $(DIR)/DirectionalAtom.cpp \
175 $(DIR)/DumpWriter.cpp \
176 $(DIR)/DumpReader.cpp \
177 $(DIR)/Exclude.cpp \
178 $(DIR)/InitializeFromFile.cpp \
179 $(DIR)/LJFF.cpp \
180 $(DIR)/EAM_FF.cpp \
181 $(DIR)/WATER.cpp \
182 $(DIR)/SimInfo.cpp \
183 $(DIR)/SimSetup.cpp \
184 $(DIR)/StatWriter.cpp \
185 $(DIR)/Integrator.cpp \
186 $(DIR)/Thermo.cpp \
187 $(DIR)/GhostBend.cpp \
188 $(DIR)/Torsion.cpp \
189 $(DIR)/TorsionExtensions.cpp \
190 $(DIR)/DUFF.cpp \
191 $(DIR)/randomSPRNG.cpp \
192 $(DIR)/fortranWrappers.cpp \
193 $(DIR)/ForceFields.cpp \
194 $(DIR)/Molecule.cpp \
195 $(DIR)/NPTf.cpp \
196 $(DIR)/NPTi.cpp \
197 $(DIR)/NPTxyz.cpp \
198 $(DIR)/NVT.cpp \
199 $(DIR)/SimState.cpp \
200 $(DIR)/ZConstraint.cpp \
201 $(DIR)/ZConsWriter.cpp \
202 $(DIR)/mdProfile.cpp \
203 $(DIR)/GenericData.cpp \
204 $(DIR)/mpiSimulation.cpp \
205 $(DIR)/NLModel0.cpp \
206 $(DIR)/NLModel1.cpp \
207 $(DIR)/Constraint.cpp \
208 $(DIR)/SimpleBoundCons.cpp \
209 $(DIR)/LinearCons.cpp \
210 $(DIR)/NonlinearCons.cpp \
211 $(DIR)/ConstraintList.cpp \
212 $(DIR)/Minimizer1D.cpp \
213 $(DIR)/ConjugateMinimizer.cpp \
214 $(DIR)/Utility.cpp
215
216 F90_FILES= \
217 $(DIR)/definitions_module.F90 \
218 $(DIR)/status_module.F90 \
219 $(DIR)/atype_module.F90 \
220 $(DIR)/calc_dipole_dipole.F90 \
221 $(DIR)/calc_charge_charge.F90 \
222 $(DIR)/calc_reaction_field.F90 \
223 $(DIR)/calc_LJ_FF.F90 \
224 $(DIR)/calc_eam.F90 \
225 $(DIR)/calc_sticky_pair.F90 \
226 $(DIR)/do_Forces.F90 \
227 $(DIR)/vector_class.F90 \
228 $(DIR)/simulation_module.F90 \
229 $(DIR)/wrappers.F90 \
230 $(DIR)/neighborLists.F90 \
231 $(DIR)/calc_gb.F90 \
232 $(DIR)/force_globals.F90 \
233 $(DIR)/mpiSimulation_module.F90 \
234 $(DIR)/notifyCutoffs.F90 \
235 $(DIR)/timing.F90 \
236 $(DIR)/oopseMPI_module.F90
237
238 DIR:=.
239 C_SRCS := $(C_FILES)
240 CXX_SRCS := $(CXX_FILES)
241 F90_SRCS := $(F90_FILES)
242 SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS)
243
244 DIR:=obj
245 C_OBJS := $(C_FILES:.c=.o)
246 CXX_OBJS := $(CXX_FILES:.cpp=.o)
247 F90_OBJS := $(F90_FILES:.F90=.o)
248 OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS)
249
250 DIR:=MPIobj
251 C_MPIOBJS := $(C_FILES:.c=.o)
252 CXX_MPIOBJS := $(CXX_FILES:.cpp=.o)
253 F90_MPIOBJS := $(F90_FILES:.F90=.o)
254 MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS)
255
256 LIBSUBDIRS = \
257 obj \
258 MPIobj
259
260 # Possible make targets:
261
262 all: libmdtools.a libmdtools_MPI.a
263
264 libmdtools.a: $(OBJS)
265 $(RM) $@
266 $(AR) cr $@ $(OBJS)
267 $(RANLIB) $@
268
269 libmdtools_MPI.a: $(MPIOBJS)
270 $(RM) $@
271 $(AR) cr $@ $(MPIOBJS)
272 $(RANLIB) $@
273
274 .PHONY : clean
275
276 clean : dummy
277 for i in $(LIBSUBDIRS); do \
278 (cd $$i; $(RM) *.o *.mod) || exit 1; \
279 done
280 $(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp
281
282 distclean : dummy
283 for i in $(LIBSUBDIRS); do \
284 (cd $$i; $(RM) *.o *.mod) || exit 1; \
285 done
286 $(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp
287
288 depend : Make.dep
289
290 Make.dep :
291 echo "Only C dependencies are made automagically!"
292 echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep
293 $(CC) $(DEPFLAGS) -MM $(C_SRCS) \
294 | sed 's/\.o:/\$$(O)\ :/g' > Make.temp
295 $(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \
296 | sed 's/\.o:/\$$(O)\ :/g' >> Make.temp
297 cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep
298 cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep
299 # ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90
300 # ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90
301 # cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep
302 $(RM) Make.ftemp Make.temp
303
304 install : dummy
305
306 links : dummy
307
308 tests : dummy
309
310 dummy :
311
312 include Make.dep
313
314 obj/definitions_module$(O): ./definitions_module.F90
315
316 obj/vector_class$(O): ./vector_class.F90
317
318 obj/status_module$(O): ./status_module.F90
319
320 obj/force_globals$(O): ./force_globals.F90 \
321 obj/definitions_module$(O)
322
323 obj/neighborLists$(O): ./neighborLists.F90 \
324 obj/definitions_module$(O)
325
326 obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
327 obj/definitions_module$(O) \
328 obj/simulation_module$(O) \
329 obj/force_globals$(O)
330
331 obj/calc_eam$(O): ./calc_eam.F90 \
332 obj/definitions_module$(O) \
333 obj/atype_module$(O) \
334 obj/simulation_module$(O) \
335 obj/vector_class$(O) \
336 obj/force_globals$(O) \
337 obj/status_module$(O)
338
339 obj/calc_gb$(O): ./calc_gb.F90 \
340 obj/definitions_module$(O) \
341 obj/simulation_module$(O) \
342 obj/force_globals$(O)
343
344 obj/atype_module$(O): ./atype_module.F90 \
345 obj/definitions_module$(O) \
346 obj/vector_class$(O)
347
348 obj/simulation_module$(O): ./simulation_module.F90 \
349 obj/definitions_module$(O) \
350 obj/vector_class$(O) \
351 obj/force_globals$(O) \
352 obj/atype_module$(O) \
353 obj/neighborLists$(O)
354
355 obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
356 obj/definitions_module$(O) \
357 obj/atype_module$(O) \
358 obj/simulation_module$(O) \
359 obj/vector_class$(O) \
360 obj/force_globals$(O)
361
362 obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
363 obj/definitions_module$(O) \
364 obj/vector_class$(O) \
365 obj/atype_module$(O) \
366 obj/simulation_module$(O) \
367 obj/force_globals$(O)
368
369 obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
370 obj/definitions_module$(O) \
371 obj/atype_module$(O) \
372 obj/simulation_module$(O) \
373 obj/force_globals$(O) \
374 obj/vector_class$(O)
375
376 obj/calc_charge_charge$(O): ./calc_charge_charge.F90 \
377 obj/definitions_module$(O) \
378 obj/atype_module$(O) \
379 obj/simulation_module$(O) \
380 obj/force_globals$(O) \
381 obj/vector_class$(O)
382
383 obj/do_Forces$(O): ./do_Forces.F90 \
384 obj/definitions_module$(O) \
385 obj/atype_module$(O) \
386 obj/simulation_module$(O) \
387 obj/neighborLists$(O) \
388 obj/calc_LJ_FF$(O) \
389 obj/calc_sticky_pair$(O) \
390 obj/calc_dipole_dipole$(O) \
391 obj/calc_reaction_field$(O) \
392 obj/calc_gb$(O) \
393 obj/force_globals$(O) \
394 obj/vector_class$(O)
395
396 obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
397 obj/definitions_module$(O) \
398 obj/atype_module$(O) \
399 obj/calc_LJ_FF$(O) \
400 obj/calc_eam$(O) \
401 obj/calc_dipole_dipole$(O) \
402 obj/calc_reaction_field$(O) \
403 obj/do_Forces$(O)
404
405 obj/wrappers$(O): ./wrappers.F90 \
406 obj/definitions_module$(O) \
407 obj/atype_module$(O) \
408 obj/simulation_module$(O) \
409 obj/calc_sticky_pair$(O) \
410 obj/calc_gb$(O) \
411 obj/do_Forces$(O) \
412 obj/notifyCutoffs$(O)
413
414 obj/timing$(O): ./timing.F90 \
415 obj/do_Forces$(O)
416
417
418
419 #MPI dependencies:
420
421 MPIobj/definitions_module$(O): ./definitions_module.F90
422
423 MPIobj/vector_class$(O): ./vector_class.F90
424
425 MPIobj/status_module$(O): ./status_module.F90
426
427 MPIobj/oopseMPI_module$(O): ./oopseMPI_module.F90
428
429 MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 \
430 MPIobj/oopseMPI_module$(O)
431
432 MPIobj/force_globals$(O): ./force_globals.F90 \
433 MPIobj/mpiSimulation_module$(O) \
434 MPIobj/definitions_module$(O)
435
436 MPIobj/neighborLists$(O): ./neighborLists.F90 \
437 MPIobj/definitions_module$(O) \
438 MPIobj/mpiSimulation_module$(O)
439
440 MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
441 MPIobj/definitions_module$(O) \
442 MPIobj/simulation_module$(O) \
443 MPIobj/mpiSimulation_module$(O) \
444 MPIobj/force_globals$(O)
445
446 MPIobj/calc_gb$(O): ./calc_gb.F90 \
447 MPIobj/definitions_module$(O) \
448 MPIobj/simulation_module$(O) \
449 MPIobj/mpiSimulation_module$(O) \
450 MPIobj/force_globals$(O)
451
452 MPIobj/calc_eam$(O): ./calc_eam.F90 \
453 MPIobj/definitions_module$(O) \
454 MPIobj/atype_module$(O) \
455 MPIobj/simulation_module$(O) \
456 MPIobj/mpiSimulation_module$(O) \
457 MPIobj/vector_class$(O) \
458 MPIobj/force_globals$(O) \
459 MPIobj/status_module$(O)
460
461 MPIobj/atype_module$(O): ./atype_module.F90 \
462 MPIobj/definitions_module$(O) \
463 MPIobj/vector_class$(O)
464
465 MPIobj/simulation_module$(O): ./simulation_module.F90 \
466 MPIobj/definitions_module$(O) \
467 MPIobj/atype_module$(O) \
468 MPIobj/vector_class$(O) \
469 MPIobj/force_globals$(O) \
470 MPIobj/mpiSimulation_module$(O) \
471 MPIobj/atype_module$(O) \
472 MPIobj/neighborLists$(O)
473
474 MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
475 MPIobj/definitions_module$(O) \
476 MPIobj/atype_module$(O) \
477 MPIobj/simulation_module$(O) \
478 MPIobj/mpiSimulation_module$(O) \
479 MPIobj/atype_module$(O) \
480 MPIobj/vector_class$(O) \
481 MPIobj/force_globals$(O)
482
483 MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
484 MPIobj/definitions_module$(O) \
485 MPIobj/atype_module$(O) \
486 MPIobj/simulation_module$(O) \
487 MPIobj/mpiSimulation_module$(O) \
488 MPIobj/vector_class$(O) \
489 MPIobj/atype_module$(O) \
490 MPIobj/force_globals$(O)
491
492 MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
493 MPIobj/definitions_module$(O) \
494 MPIobj/atype_module$(O) \
495 MPIobj/simulation_module$(O) \
496 MPIobj/mpiSimulation_module$(O) \
497 MPIobj/force_globals$(O) \
498 MPIobj/vector_class$(O)
499
500 MPIobj/calc_charge_charge$(O): ./calc_charge_charge.F90 \
501 MPIobj/definitions_module$(O) \
502 MPIobj/atype_module$(O) \
503 MPIobj/simulation_module$(O) \
504 MPIobj/mpiSimulation_module$(O) \
505 MPIobj/force_globals$(O) \
506 MPIobj/vector_class$(O)
507
508 MPIobj/do_Forces$(O): ./do_Forces.F90 \
509 MPIobj/definitions_module$(O) \
510 MPIobj/mpiSimulation_module$(O) \
511 MPIobj/atype_module$(O) \
512 MPIobj/simulation_module$(O) \
513 MPIobj/neighborLists$(O) \
514 MPIobj/calc_LJ_FF$(O) \
515 MPIobj/calc_sticky_pair$(O) \
516 MPIobj/calc_dipole_dipole$(O) \
517 MPIobj/calc_reaction_field$(O) \
518 MPIobj/calc_gb$(O) \
519 MPIobj/force_globals$(O) \
520 MPIobj/vector_class$(O)
521
522 MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
523 MPIobj/definitions_module$(O) \
524 MPIobj/atype_module$(O) \
525 MPIobj/calc_LJ_FF$(O) \
526 MPIobj/calc_eam$(O) \
527 MPIobj/calc_dipole_dipole$(O) \
528 MPIobj/calc_reaction_field$(O) \
529 MPIobj/do_Forces$(O)
530
531 MPIobj/wrappers$(O): ./wrappers.F90 \
532 MPIobj/definitions_module$(O) \
533 MPIobj/mpiSimulation_module$(O) \
534 MPIobj/atype_module$(O) \
535 MPIobj/simulation_module$(O) \
536 MPIobj/calc_sticky_pair$(O) \
537 MPIobj/calc_gb$(O) \
538 MPIobj/do_Forces$(O) \
539 MPIobj/notifyCutoffs$(O)
540
541 MPIobj/timing$(O): ./timing.F90 \
542 MPIobj/do_Forces$(O) \
543 MPIobj/mpiSimulation_module$(O)