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##################################################### |
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# Makefile for libmdtools (bundled with OOPSE) # |
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##################################################### |
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# You should not change anything here. # |
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##################################################### |
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TOP=.. |
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include $(TOP)/Make.conf |
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.SUFFIXES : .c .cpp .F90 .hpp .h $(O) |
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# First do compile-time flags: |
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gezelter |
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DECLARES= -DFRC_PATH="$(FORCE_PARAM_DIR)" |
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MPI_DECLARES= -DIS_MPI |
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# include paths starting with "." are all relative to the SUBDIRS!!! |
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INCLUDES= -I.. -I../../libBASS -I$(SPRNG_INC) |
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mmeineke |
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MPI_INCLUDES= -I$(MPICH_INC) -I$(MPI_F90_MODS) |
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CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
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CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
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FFLAGS=$(FFLAGS_C) |
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mmeineke |
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DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS -I$(SPRNG_INC) $(MPI_INCLUDES) |
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MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
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MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
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MPI_FFLAGS=$(FFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
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mmeineke |
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SRC_DIR := $(PWD) |
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mmeineke |
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# Then do the compile rules: |
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obj/%.o: %.F90 |
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mmeineke |
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cd obj; $(FC) $(FFLAGS) -c $(SRC_DIR)/$< |
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mmeineke |
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MPIobj/%.o: %.F90 |
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mmeineke |
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cd MPIobj; $(FC) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
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mmeineke |
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obj/%.o: %.cpp |
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mmeineke |
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cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
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mmeineke |
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MPIobj/%.o: %.cpp |
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mmeineke |
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cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
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mmeineke |
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obj/%.o: %.c |
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mmeineke |
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cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
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mmeineke |
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MPIobj/%.o: %.c |
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mmeineke |
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cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
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mmeineke |
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# Then list what we have to compile |
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C_FILES = \ |
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$(DIR)/mpiForceField.c \ |
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$(DIR)/fInfo.c |
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mmeineke |
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CXX_FILES = \ |
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$(DIR)/Atom.cpp \ |
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$(DIR)/Bend.cpp \ |
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$(DIR)/BendExtensions.cpp \ |
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$(DIR)/Bond.cpp \ |
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$(DIR)/BondExtensions.cpp \ |
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$(DIR)/DirectionalAtom.cpp \ |
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$(DIR)/DumpWriter.cpp \ |
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gezelter |
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$(DIR)/Exclude.cpp \ |
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mmeineke |
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$(DIR)/InitializeFromFile.cpp \ |
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mmeineke |
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$(DIR)/LJFF.cpp \ |
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chuckv |
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$(DIR)/EAM_FF.cpp \ |
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mmeineke |
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$(DIR)/SimInfo.cpp \ |
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$(DIR)/SimSetup.cpp \ |
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$(DIR)/StatWriter.cpp \ |
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mmeineke |
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$(DIR)/Integrator.cpp \ |
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mmeineke |
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$(DIR)/Thermo.cpp \ |
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$(DIR)/GhostBend.cpp \ |
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$(DIR)/Torsion.cpp \ |
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$(DIR)/TorsionExtensions.cpp \ |
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mmeineke |
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$(DIR)/DUFF.cpp \ |
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$(DIR)/randomSPRNG.cpp \ |
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$(DIR)/fortranWrappers.cpp \ |
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$(DIR)/ForceFields.cpp \ |
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mmeineke |
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$(DIR)/mpiSimulation.cpp \ |
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tim |
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$(DIR)/Molecule.cpp \ |
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mmeineke |
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$(DIR)/SimState.cpp \ |
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tim |
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$(DIR)/ZConstraint.cpp \ |
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$(DIR)/ZConsWriter.cpp \ |
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$(DIR)/GenericData.cpp |
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mmeineke |
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F90_FILES= \ |
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$(DIR)/Linux_ifc_machdep.F90 \ |
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chuckv |
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$(DIR)/status_module.F90 \ |
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mmeineke |
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$(DIR)/atype_module.F90 \ |
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$(DIR)/calc_dipole_dipole.F90 \ |
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$(DIR)/calc_reaction_field.F90 \ |
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$(DIR)/calc_LJ_FF.F90 \ |
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chuckv |
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$(DIR)/calc_eam.F90 \ |
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mmeineke |
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$(DIR)/calc_sticky_pair.F90 \ |
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$(DIR)/do_Forces.F90 \ |
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$(DIR)/vector_class.F90 \ |
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$(DIR)/simulation_module.F90 \ |
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$(DIR)/wrappers.F90 \ |
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$(DIR)/neighborLists.F90 \ |
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$(DIR)/calc_gb.F90 \ |
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$(DIR)/force_globals.F90 \ |
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mmeineke |
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$(DIR)/mpiSimulation_module.F90 \ |
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$(DIR)/notifyCutoffs.F90 |
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mmeineke |
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DIR:=. |
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C_SRCS := $(C_FILES) |
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CXX_SRCS := $(CXX_FILES) |
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F90_SRCS := $(F90_FILES) |
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gezelter |
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SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS) |
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mmeineke |
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DIR:=obj |
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C_OBJS := $(C_FILES:.c=.o) |
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CXX_OBJS := $(CXX_FILES:.cpp=.o) |
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F90_OBJS := $(F90_FILES:.F90=.o) |
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OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS) |
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DIR:=MPIobj |
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C_MPIOBJS := $(C_FILES:.c=.o) |
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CXX_MPIOBJS := $(CXX_FILES:.cpp=.o) |
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F90_MPIOBJS := $(F90_FILES:.F90=.o) |
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MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS) |
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LIBSUBDIRS = \ |
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obj \ |
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MPIobj |
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# Possible make targets: |
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mmeineke |
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all: Make.dep libmdtools.a libmdtools_MPI.a |
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mmeineke |
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libmdtools.a: $(OBJS) |
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$(RM) $@ |
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$(AR) cr $@ $(OBJS) |
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$(RANLIB) $@ |
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libmdtools_MPI.a: $(MPIOBJS) |
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$(RM) $@ |
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$(AR) cr $@ $(MPIOBJS) |
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$(RANLIB) $@ |
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.PHONY : clean |
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clean : dummy |
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for i in $(LIBSUBDIRS); do \ |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
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done |
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$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp |
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distclean : dummy |
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for i in $(LIBSUBDIRS); do \ |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
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done |
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gezelter |
385 |
$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp Make.dep |
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mmeineke |
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gezelter |
385 |
depend : Make.dep |
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mmeineke |
379 |
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gezelter |
385 |
Make.dep : $(SRCS) |
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mmeineke |
377 |
echo "Only C dependencies are made automagically!" |
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echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
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$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
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| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
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mmeineke |
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cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
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cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
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gezelter |
385 |
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
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# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
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mmeineke |
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# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
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$(RM) Make.ftemp Make.temp |
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install : dummy |
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links : dummy |
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tests : dummy |
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dummy : |
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include Make.dep |
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gezelter |
386 |
obj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
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mmeineke |
377 |
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gezelter |
386 |
obj/vector_class$(O): ./vector_class.F90 |
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mmeineke |
377 |
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chuckv |
631 |
obj/status_module$(O): ./status_module.F90 |
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gezelter |
386 |
obj/force_globals$(O): ./force_globals.F90 \ |
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mmeineke |
377 |
obj/$(F_MACH_DEFS) |
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gezelter |
386 |
obj/neighborLists$(O): ./neighborLists.F90 \ |
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mmeineke |
377 |
obj/$(F_MACH_DEFS) |
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gezelter |
386 |
obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
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mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
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chuckv |
460 |
obj/simulation_module$(O) \ |
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mmeineke |
377 |
obj/force_globals$(O) |
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chuckv |
631 |
obj/calc_eam$(O): ./calc_eam.F90 \ |
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obj/$(F_MACH_DEFS) \ |
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obj/atype_module$(O) \ |
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obj/simulation_module$(O) \ |
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obj/vector_class$(O) \ |
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obj/force_globals$(O) \ |
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obj/status_module$(O) |
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gezelter |
386 |
obj/calc_gb$(O): ./calc_gb.F90 \ |
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mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
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chuckv |
460 |
obj/simulation_module$(O) \ |
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mmeineke |
377 |
obj/force_globals$(O) |
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gezelter |
386 |
obj/atype_module$(O): ./atype_module.F90 \ |
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mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
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gezelter |
462 |
obj/vector_class$(O) |
| 217 |
mmeineke |
377 |
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gezelter |
386 |
obj/simulation_module$(O): ./simulation_module.F90 \ |
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mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
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chuckv |
460 |
obj/vector_class$(O) \ |
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obj/force_globals$(O) \ |
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mmeineke |
377 |
obj/atype_module$(O) \ |
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obj/neighborLists$(O) |
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gezelter |
386 |
obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 226 |
mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
| 227 |
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obj/atype_module$(O) \ |
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chuckv |
460 |
obj/simulation_module$(O) \ |
| 229 |
mmeineke |
377 |
obj/vector_class$(O) \ |
| 230 |
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obj/force_globals$(O) |
| 231 |
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gezelter |
386 |
obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
| 233 |
mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
| 234 |
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obj/vector_class$(O) \ |
| 235 |
gezelter |
462 |
obj/atype_module$(O) \ |
| 236 |
chuckv |
460 |
obj/simulation_module$(O) \ |
| 237 |
mmeineke |
377 |
obj/force_globals$(O) |
| 238 |
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gezelter |
386 |
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 240 |
mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
| 241 |
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obj/atype_module$(O) \ |
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chuckv |
460 |
obj/simulation_module$(O) \ |
| 243 |
mmeineke |
377 |
obj/force_globals$(O) \ |
| 244 |
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obj/vector_class$(O) |
| 245 |
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gezelter |
386 |
obj/do_Forces$(O): ./do_Forces.F90 \ |
| 247 |
mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
| 248 |
gezelter |
462 |
obj/atype_module$(O) \ |
| 249 |
mmeineke |
377 |
obj/simulation_module$(O) \ |
| 250 |
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obj/neighborLists$(O) \ |
| 251 |
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obj/calc_LJ_FF$(O) \ |
| 252 |
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obj/calc_sticky_pair$(O) \ |
| 253 |
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obj/calc_dipole_dipole$(O) \ |
| 254 |
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obj/calc_reaction_field$(O) \ |
| 255 |
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obj/calc_gb$(O) \ |
| 256 |
mmeineke |
626 |
obj/force_globals$(O) \ |
| 257 |
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obj/vector_class$(O) |
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mmeineke |
377 |
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mmeineke |
626 |
obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
| 260 |
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obj/$(F_MACH_DEFS) \ |
| 261 |
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obj/atype_module$(O) \ |
| 262 |
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obj/calc_LJ_FF$(O) \ |
| 263 |
chuckv |
653 |
obj/calc_eam$(O) \ |
| 264 |
mmeineke |
626 |
obj/calc_dipole_dipole$(O) \ |
| 265 |
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obj/calc_reaction_field$(O) \ |
| 266 |
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obj/do_Forces$(O) |
| 267 |
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gezelter |
386 |
obj/wrappers$(O): ./wrappers.F90 \ |
| 269 |
mmeineke |
377 |
obj/$(F_MACH_DEFS) \ |
| 270 |
gezelter |
462 |
obj/atype_module$(O) \ |
| 271 |
mmeineke |
377 |
obj/simulation_module$(O) \ |
| 272 |
gezelter |
462 |
obj/calc_sticky_pair$(O) \ |
| 273 |
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obj/calc_gb$(O) \ |
| 274 |
mmeineke |
626 |
obj/do_Forces$(O) \ |
| 275 |
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obj/notifyCutoffs$(O) |
| 276 |
mmeineke |
377 |
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mmeineke |
626 |
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mmeineke |
377 |
#MPI dependencies: |
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gezelter |
386 |
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
| 285 |
mmeineke |
377 |
|
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gezelter |
386 |
MPIobj/vector_class$(O): ./vector_class.F90 |
| 287 |
mmeineke |
377 |
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chuckv |
631 |
MPIobj/status_module$(O): ./status_module.F90 |
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gezelter |
386 |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
| 291 |
mmeineke |
377 |
|
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gezelter |
386 |
MPIobj/force_globals$(O): ./force_globals.F90 \ |
| 293 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 294 |
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MPIobj/$(F_MACH_DEFS) |
| 295 |
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gezelter |
386 |
MPIobj/neighborLists$(O): ./neighborLists.F90 \ |
| 297 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 298 |
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MPIobj/mpiSimulation_module$(O) |
| 299 |
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gezelter |
386 |
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 301 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 302 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
| 303 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 304 |
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MPIobj/force_globals$(O) |
| 305 |
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gezelter |
386 |
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
| 307 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 308 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
| 309 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 310 |
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MPIobj/force_globals$(O) |
| 311 |
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chuckv |
631 |
MPIobj/calc_eam$(O): ./calc_eam.F90 \ |
| 313 |
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MPIobj/$(F_MACH_DEFS) \ |
| 314 |
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MPIobj/atype_module$(O) \ |
| 315 |
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MPIobj/simulation_module$(O) \ |
| 316 |
chuckv |
648 |
MPIobj/mpiSimulation_module$(O) \ |
| 317 |
chuckv |
631 |
MPIobj/vector_class$(O) \ |
| 318 |
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MPIobj/force_globals$(O) \ |
| 319 |
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MPIobj/status_module$(O) |
| 320 |
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|
|
|
| 322 |
gezelter |
386 |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
| 323 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 324 |
gezelter |
462 |
MPIobj/vector_class$(O) |
| 325 |
mmeineke |
377 |
|
| 326 |
gezelter |
386 |
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
| 327 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 328 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
| 329 |
chuckv |
460 |
MPIobj/vector_class$(O) \ |
| 330 |
|
|
MPIobj/force_globals$(O) \ |
| 331 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 332 |
|
|
MPIobj/atype_module$(O) \ |
| 333 |
|
|
MPIobj/neighborLists$(O) |
| 334 |
|
|
|
| 335 |
gezelter |
386 |
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 336 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 337 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
| 338 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
| 339 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 340 |
|
|
MPIobj/atype_module$(O) \ |
| 341 |
|
|
MPIobj/vector_class$(O) \ |
| 342 |
|
|
MPIobj/force_globals$(O) |
| 343 |
|
|
|
| 344 |
gezelter |
386 |
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
| 345 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 346 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
| 347 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
| 348 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 349 |
|
|
MPIobj/vector_class$(O) \ |
| 350 |
|
|
MPIobj/atype_module$(O) \ |
| 351 |
|
|
MPIobj/force_globals$(O) |
| 352 |
|
|
|
| 353 |
gezelter |
386 |
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 354 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 355 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
| 356 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
| 357 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
| 358 |
|
|
MPIobj/force_globals$(O) \ |
| 359 |
|
|
MPIobj/vector_class$(O) |
| 360 |
|
|
|
| 361 |
gezelter |
386 |
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
| 362 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 363 |
|
|
MPIobj/mpiSimulation_module$(O) \ |
| 364 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
| 365 |
mmeineke |
377 |
MPIobj/simulation_module$(O) \ |
| 366 |
|
|
MPIobj/neighborLists$(O) \ |
| 367 |
|
|
MPIobj/calc_LJ_FF$(O) \ |
| 368 |
|
|
MPIobj/calc_sticky_pair$(O) \ |
| 369 |
|
|
MPIobj/calc_dipole_dipole$(O) \ |
| 370 |
|
|
MPIobj/calc_reaction_field$(O) \ |
| 371 |
|
|
MPIobj/calc_gb$(O) \ |
| 372 |
mmeineke |
626 |
MPIobj/force_globals$(O) \ |
| 373 |
|
|
MPIobj/vector_class$(O) |
| 374 |
mmeineke |
377 |
|
| 375 |
mmeineke |
626 |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
| 376 |
|
|
MPIobj/$(F_MACH_DEFS) \ |
| 377 |
|
|
MPIobj/atype_module$(O) \ |
| 378 |
|
|
MPIobj/calc_LJ_FF$(O) \ |
| 379 |
chuckv |
653 |
MPIobj/calc_eam$(O) \ |
| 380 |
mmeineke |
626 |
MPIobj/calc_dipole_dipole$(O) \ |
| 381 |
|
|
MPIobj/calc_reaction_field$(O) \ |
| 382 |
|
|
MPIobj/do_Forces$(O) |
| 383 |
|
|
|
| 384 |
gezelter |
386 |
MPIobj/wrappers$(O): ./wrappers.F90 \ |
| 385 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
| 386 |
|
|
MPIobj/mpiSimulation_module$(O) \ |
| 387 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
| 388 |
mmeineke |
377 |
MPIobj/simulation_module$(O) \ |
| 389 |
gezelter |
462 |
MPIobj/calc_sticky_pair$(O) \ |
| 390 |
|
|
MPIobj/calc_gb$(O) \ |
| 391 |
mmeineke |
626 |
MPIobj/do_Forces$(O) \ |
| 392 |
|
|
MPIobj/notifyCutoffs$(O) |
