--- trunk/OOPSE/libmdtools/Makefile.in 2003/12/19 20:36:35 891 +++ trunk/OOPSE/libmdtools/Makefile.in 2004/02/24 15:44:45 1064 @@ -49,9 +49,6 @@ MODDIRFLAG=@MODDIRFLAG@ # MODDIRFLAG MODDIRFLAG=@MODDIRFLAG@ -# MPI F90 Module path -MPI_F90_MODS=@MPI_F90_MODS@ - # Compiler dependent Fortran module FLIBS_EXTRA = @F90LIBS@ @@ -127,7 +124,7 @@ MPI_INCLUDES= -I$(MPI_INC) $(MODDIRFLAG)$(MPI_F90_MODS # include paths starting with "." are all relative to the SUBDIRS!!! INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) -MPI_INCLUDES= -I$(MPI_INC) $(MODDIRFLAG)$(MPI_F90_MODS) +MPI_INCLUDES= -I$(MPI_INC) F90_INCLUDES= -I/usr/local/include CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) @@ -181,6 +178,7 @@ CXX_FILES = \ $(DIR)/InitializeFromFile.cpp \ $(DIR)/LJFF.cpp \ $(DIR)/EAM_FF.cpp \ + $(DIR)/WATER.cpp \ $(DIR)/SimInfo.cpp \ $(DIR)/SimSetup.cpp \ $(DIR)/StatWriter.cpp \ @@ -193,7 +191,6 @@ CXX_FILES = \ $(DIR)/randomSPRNG.cpp \ $(DIR)/fortranWrappers.cpp \ $(DIR)/ForceFields.cpp \ - $(DIR)/mpiSimulation.cpp \ $(DIR)/Molecule.cpp \ $(DIR)/NPTf.cpp \ $(DIR)/NPTi.cpp \ @@ -203,13 +200,21 @@ CXX_FILES = \ $(DIR)/ZConstraint.cpp \ $(DIR)/ZConsWriter.cpp \ $(DIR)/mdProfile.cpp \ - $(DIR)/GenericData.cpp + $(DIR)/GenericData.cpp \ + $(DIR)/mpiSimulation.cpp \ + $(DIR)/Utility.cpp \ + $(DIR)/OOPSEMinimizer.cpp \ + $(DIR)/CGFamilyMinimizer.cpp \ + $(DIR)/PRCG.cpp \ + $(DIR)/SDMinimizer.cpp + F90_FILES= \ $(DIR)/definitions_module.F90 \ $(DIR)/status_module.F90 \ $(DIR)/atype_module.F90 \ $(DIR)/calc_dipole_dipole.F90 \ + $(DIR)/calc_charge_charge.F90 \ $(DIR)/calc_reaction_field.F90 \ $(DIR)/calc_LJ_FF.F90 \ $(DIR)/calc_eam.F90 \ @@ -223,8 +228,8 @@ F90_FILES= \ $(DIR)/force_globals.F90 \ $(DIR)/mpiSimulation_module.F90 \ $(DIR)/notifyCutoffs.F90 \ - $(DIR)/oopseMPI_module.F90 \ - $(DIR)/timing.F90 + $(DIR)/timing.F90 \ + $(DIR)/oopseMPI_module.F90 DIR:=. C_SRCS := $(C_FILES) @@ -364,6 +369,13 @@ obj/do_Forces$(O): ./do_Forces.F90 \ obj/force_globals$(O) \ obj/vector_class$(O) +obj/calc_charge_charge$(O): ./calc_charge_charge.F90 \ + obj/definitions_module$(O) \ + obj/atype_module$(O) \ + obj/simulation_module$(O) \ + obj/force_globals$(O) \ + obj/vector_class$(O) + obj/do_Forces$(O): ./do_Forces.F90 \ obj/definitions_module$(O) \ obj/atype_module$(O) \ @@ -481,6 +493,14 @@ MPIobj/do_Forces$(O): ./do_Forces.F90 \ MPIobj/force_globals$(O) \ MPIobj/vector_class$(O) +MPIobj/calc_charge_charge$(O): ./calc_charge_charge.F90 \ + MPIobj/definitions_module$(O) \ + MPIobj/atype_module$(O) \ + MPIobj/simulation_module$(O) \ + MPIobj/mpiSimulation_module$(O) \ + MPIobj/force_globals$(O) \ + MPIobj/vector_class$(O) + MPIobj/do_Forces$(O): ./do_Forces.F90 \ MPIobj/definitions_module$(O) \ MPIobj/mpiSimulation_module$(O) \