| 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) $(DECLARES) |
| 26 |
DEPFLAGS=$(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 |
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 = $(DIR)/mpiForceField.c |
| 57 |
|
| 58 |
CXX_FILES = \ |
| 59 |
$(DIR)/Atom.cpp \ |
| 60 |
$(DIR)/Bend.cpp \ |
| 61 |
$(DIR)/BendExtensions.cpp \ |
| 62 |
$(DIR)/Bond.cpp \ |
| 63 |
$(DIR)/BondExtensions.cpp \ |
| 64 |
$(DIR)/DirectionalAtom.cpp \ |
| 65 |
$(DIR)/DumpWriter.cpp \ |
| 66 |
$(DIR)/Exclude.cpp \ |
| 67 |
$(DIR)/InitializeFromFile.cpp \ |
| 68 |
$(DIR)/LJFF.cpp \ |
| 69 |
$(DIR)/SimInfo.cpp \ |
| 70 |
$(DIR)/SimSetup.cpp \ |
| 71 |
$(DIR)/StatWriter.cpp \ |
| 72 |
$(DIR)/Integrator.cpp \ |
| 73 |
$(DIR)/Thermo.cpp \ |
| 74 |
$(DIR)/GhostBend.cpp \ |
| 75 |
$(DIR)/Torsion.cpp \ |
| 76 |
$(DIR)/TorsionExtensions.cpp \ |
| 77 |
$(DIR)/DUFF.cpp \ |
| 78 |
$(DIR)/randomSPRNG.cpp \ |
| 79 |
$(DIR)/fortranWrappers.cpp \ |
| 80 |
$(DIR)/ForceFields.cpp \ |
| 81 |
$(DIR)/mpiSimulation.cpp \ |
| 82 |
$(DIR)/Molecule.cpp \ |
| 83 |
$(DIR)/NVT.cpp \ |
| 84 |
$(DIR)/NPTi.cpp \ |
| 85 |
$(DIR)/NPTf.cpp \ |
| 86 |
$(DIR)/NPTim.cpp \ |
| 87 |
$(DIR)/NPTfm.cpp |
| 88 |
|
| 89 |
|
| 90 |
F90_FILES= \ |
| 91 |
$(DIR)/Linux_ifc_machdep.F90 \ |
| 92 |
$(DIR)/atype_module.F90 \ |
| 93 |
$(DIR)/calc_dipole_dipole.F90 \ |
| 94 |
$(DIR)/calc_reaction_field.F90 \ |
| 95 |
$(DIR)/calc_LJ_FF.F90 \ |
| 96 |
$(DIR)/calc_sticky_pair.F90 \ |
| 97 |
$(DIR)/do_Forces.F90 \ |
| 98 |
$(DIR)/vector_class.F90 \ |
| 99 |
$(DIR)/simulation_module.F90 \ |
| 100 |
$(DIR)/wrappers.F90 \ |
| 101 |
$(DIR)/neighborLists.F90 \ |
| 102 |
$(DIR)/calc_gb.F90 \ |
| 103 |
$(DIR)/force_globals.F90 \ |
| 104 |
$(DIR)/mpiSimulation_module.F90 |
| 105 |
|
| 106 |
DIR:=. |
| 107 |
C_SRCS := $(C_FILES) |
| 108 |
CXX_SRCS := $(CXX_FILES) |
| 109 |
F90_SRCS := $(F90_FILES) |
| 110 |
SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS) |
| 111 |
|
| 112 |
DIR:=obj |
| 113 |
C_OBJS := $(C_FILES:.c=.o) |
| 114 |
CXX_OBJS := $(CXX_FILES:.cpp=.o) |
| 115 |
F90_OBJS := $(F90_FILES:.F90=.o) |
| 116 |
OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS) |
| 117 |
|
| 118 |
DIR:=MPIobj |
| 119 |
C_MPIOBJS := $(C_FILES:.c=.o) |
| 120 |
CXX_MPIOBJS := $(CXX_FILES:.cpp=.o) |
| 121 |
F90_MPIOBJS := $(F90_FILES:.F90=.o) |
| 122 |
MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS) |
| 123 |
|
| 124 |
LIBSUBDIRS = \ |
| 125 |
obj \ |
| 126 |
MPIobj |
| 127 |
|
| 128 |
# Possible make targets: |
| 129 |
|
| 130 |
all: Make.dep libmdtools.a libmdtools_MPI.a |
| 131 |
|
| 132 |
libmdtools.a: $(OBJS) |
| 133 |
$(RM) $@ |
| 134 |
$(AR) cr $@ $(OBJS) |
| 135 |
$(RANLIB) $@ |
| 136 |
|
| 137 |
libmdtools_MPI.a: $(MPIOBJS) |
| 138 |
$(RM) $@ |
| 139 |
$(AR) cr $@ $(MPIOBJS) |
| 140 |
$(RANLIB) $@ |
| 141 |
|
| 142 |
.PHONY : clean |
| 143 |
|
| 144 |
clean : dummy |
| 145 |
for i in $(LIBSUBDIRS); do \ |
| 146 |
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 147 |
done |
| 148 |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp |
| 149 |
|
| 150 |
distclean : dummy |
| 151 |
for i in $(LIBSUBDIRS); do \ |
| 152 |
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 153 |
done |
| 154 |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp Make.dep |
| 155 |
|
| 156 |
depend : Make.dep |
| 157 |
|
| 158 |
Make.dep : $(SRCS) |
| 159 |
echo "Only C dependencies are made automagically!" |
| 160 |
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
| 161 |
$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
| 162 |
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
| 163 |
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
| 164 |
cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
| 165 |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
| 166 |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
| 167 |
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
| 168 |
$(RM) Make.ftemp Make.temp |
| 169 |
|
| 170 |
install : dummy |
| 171 |
|
| 172 |
links : dummy |
| 173 |
|
| 174 |
tests : dummy |
| 175 |
|
| 176 |
dummy : |
| 177 |
|
| 178 |
include Make.dep |
| 179 |
|
| 180 |
obj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
| 181 |
|
| 182 |
obj/vector_class$(O): ./vector_class.F90 |
| 183 |
|
| 184 |
obj/force_globals$(O): ./force_globals.F90 \ |
| 185 |
obj/$(F_MACH_DEFS) |
| 186 |
|
| 187 |
obj/neighborLists$(O): ./neighborLists.F90 \ |
| 188 |
obj/$(F_MACH_DEFS) |
| 189 |
|
| 190 |
obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 191 |
obj/$(F_MACH_DEFS) \ |
| 192 |
obj/simulation_module$(O) \ |
| 193 |
obj/force_globals$(O) |
| 194 |
|
| 195 |
obj/calc_gb$(O): ./calc_gb.F90 \ |
| 196 |
obj/$(F_MACH_DEFS) \ |
| 197 |
obj/simulation_module$(O) \ |
| 198 |
obj/force_globals$(O) |
| 199 |
|
| 200 |
obj/atype_module$(O): ./atype_module.F90 \ |
| 201 |
obj/$(F_MACH_DEFS) \ |
| 202 |
obj/vector_class$(O) |
| 203 |
|
| 204 |
obj/simulation_module$(O): ./simulation_module.F90 \ |
| 205 |
obj/$(F_MACH_DEFS) \ |
| 206 |
obj/vector_class$(O) \ |
| 207 |
obj/force_globals$(O) \ |
| 208 |
obj/atype_module$(O) \ |
| 209 |
obj/neighborLists$(O) |
| 210 |
|
| 211 |
obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 212 |
obj/$(F_MACH_DEFS) \ |
| 213 |
obj/atype_module$(O) \ |
| 214 |
obj/simulation_module$(O) \ |
| 215 |
obj/vector_class$(O) \ |
| 216 |
obj/force_globals$(O) |
| 217 |
|
| 218 |
obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
| 219 |
obj/$(F_MACH_DEFS) \ |
| 220 |
obj/vector_class$(O) \ |
| 221 |
obj/atype_module$(O) \ |
| 222 |
obj/simulation_module$(O) \ |
| 223 |
obj/force_globals$(O) |
| 224 |
|
| 225 |
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 226 |
obj/$(F_MACH_DEFS) \ |
| 227 |
obj/atype_module$(O) \ |
| 228 |
obj/simulation_module$(O) \ |
| 229 |
obj/force_globals$(O) \ |
| 230 |
obj/vector_class$(O) |
| 231 |
|
| 232 |
obj/do_Forces$(O): ./do_Forces.F90 \ |
| 233 |
obj/$(F_MACH_DEFS) \ |
| 234 |
obj/atype_module$(O) \ |
| 235 |
obj/simulation_module$(O) \ |
| 236 |
obj/neighborLists$(O) \ |
| 237 |
obj/calc_LJ_FF$(O) \ |
| 238 |
obj/calc_sticky_pair$(O) \ |
| 239 |
obj/calc_dipole_dipole$(O) \ |
| 240 |
obj/calc_reaction_field$(O) \ |
| 241 |
obj/calc_gb$(O) \ |
| 242 |
obj/force_globals$(O) |
| 243 |
|
| 244 |
obj/wrappers$(O): ./wrappers.F90 \ |
| 245 |
obj/$(F_MACH_DEFS) \ |
| 246 |
obj/atype_module$(O) \ |
| 247 |
obj/simulation_module$(O) \ |
| 248 |
obj/calc_sticky_pair$(O) \ |
| 249 |
obj/calc_gb$(O) \ |
| 250 |
obj/do_Forces$(O) |
| 251 |
|
| 252 |
#MPI dependencies: |
| 253 |
|
| 254 |
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
| 255 |
|
| 256 |
MPIobj/vector_class$(O): ./vector_class.F90 |
| 257 |
|
| 258 |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
| 259 |
|
| 260 |
MPIobj/force_globals$(O): ./force_globals.F90 \ |
| 261 |
MPIobj/mpiSimulation_module$(O) \ |
| 262 |
MPIobj/$(F_MACH_DEFS) |
| 263 |
|
| 264 |
MPIobj/neighborLists$(O): ./neighborLists.F90 \ |
| 265 |
MPIobj/$(F_MACH_DEFS) \ |
| 266 |
MPIobj/mpiSimulation_module$(O) |
| 267 |
|
| 268 |
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 269 |
MPIobj/$(F_MACH_DEFS) \ |
| 270 |
MPIobj/simulation_module$(O) \ |
| 271 |
MPIobj/mpiSimulation_module$(O) \ |
| 272 |
MPIobj/force_globals$(O) |
| 273 |
|
| 274 |
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
| 275 |
MPIobj/$(F_MACH_DEFS) \ |
| 276 |
MPIobj/simulation_module$(O) \ |
| 277 |
MPIobj/mpiSimulation_module$(O) \ |
| 278 |
MPIobj/force_globals$(O) |
| 279 |
|
| 280 |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
| 281 |
MPIobj/$(F_MACH_DEFS) \ |
| 282 |
MPIobj/vector_class$(O) |
| 283 |
|
| 284 |
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
| 285 |
MPIobj/$(F_MACH_DEFS) \ |
| 286 |
MPIobj/atype_module$(O) \ |
| 287 |
MPIobj/vector_class$(O) \ |
| 288 |
MPIobj/force_globals$(O) \ |
| 289 |
MPIobj/mpiSimulation_module$(O) \ |
| 290 |
MPIobj/atype_module$(O) \ |
| 291 |
MPIobj/neighborLists$(O) |
| 292 |
|
| 293 |
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 294 |
MPIobj/$(F_MACH_DEFS) \ |
| 295 |
MPIobj/atype_module$(O) \ |
| 296 |
MPIobj/simulation_module$(O) \ |
| 297 |
MPIobj/mpiSimulation_module$(O) \ |
| 298 |
MPIobj/atype_module$(O) \ |
| 299 |
MPIobj/vector_class$(O) \ |
| 300 |
MPIobj/force_globals$(O) |
| 301 |
|
| 302 |
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
| 303 |
MPIobj/$(F_MACH_DEFS) \ |
| 304 |
MPIobj/atype_module$(O) \ |
| 305 |
MPIobj/simulation_module$(O) \ |
| 306 |
MPIobj/mpiSimulation_module$(O) \ |
| 307 |
MPIobj/vector_class$(O) \ |
| 308 |
MPIobj/atype_module$(O) \ |
| 309 |
MPIobj/force_globals$(O) |
| 310 |
|
| 311 |
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 312 |
MPIobj/$(F_MACH_DEFS) \ |
| 313 |
MPIobj/atype_module$(O) \ |
| 314 |
MPIobj/simulation_module$(O) \ |
| 315 |
MPIobj/mpiSimulation_module$(O) \ |
| 316 |
MPIobj/force_globals$(O) \ |
| 317 |
MPIobj/vector_class$(O) |
| 318 |
|
| 319 |
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
| 320 |
MPIobj/$(F_MACH_DEFS) \ |
| 321 |
MPIobj/mpiSimulation_module$(O) \ |
| 322 |
MPIobj/atype_module$(O) \ |
| 323 |
MPIobj/simulation_module$(O) \ |
| 324 |
MPIobj/neighborLists$(O) \ |
| 325 |
MPIobj/calc_LJ_FF$(O) \ |
| 326 |
MPIobj/calc_sticky_pair$(O) \ |
| 327 |
MPIobj/calc_dipole_dipole$(O) \ |
| 328 |
MPIobj/calc_reaction_field$(O) \ |
| 329 |
MPIobj/calc_gb$(O) \ |
| 330 |
MPIobj/force_globals$(O) |
| 331 |
|
| 332 |
MPIobj/wrappers$(O): ./wrappers.F90 \ |
| 333 |
MPIobj/$(F_MACH_DEFS) \ |
| 334 |
MPIobj/mpiSimulation_module$(O) \ |
| 335 |
MPIobj/atype_module$(O) \ |
| 336 |
MPIobj/simulation_module$(O) \ |
| 337 |
MPIobj/calc_sticky_pair$(O) \ |
| 338 |
MPIobj/calc_gb$(O) \ |
| 339 |
MPIobj/do_Forces$(O) |
