OOPSE/libmdtools/Makefile.in

#####################################################
# Makefile for libmdtools (bundled with OOPSE)      #
#####################################################
# You should not change anything here.              #
#####################################################

# No make rules by default
.SUFFIXES : .c .cpp .F90 .hpp .h $(O)

# Extension of object files
O=@OBJEXT@

# Extension of executables
EXE=@EXEEXT@

# Bourn shell
SHELL=/bin/sh

# Path prefix for installation links
PREFIX=@prefix@

# List of subdirectories
SUBDIRS=@SUBDIRS@

# Location of the oopse home
OOPSE_HOME=@OOPSE_HOME@

FORCE_PARAM_DIR=@OOPSE_HOME@/share/forceFields/
SAMPLE_SIM_DIR=@OOPSE_HOME@/share/samples/

# SPRNG library path
SPRNG_LIBDIR=@SPRNG_LIBDIR@

# SPRNG library
SPRNG_LIB=@SPRNG_LIB@

# SPRNG include path
SPRNG_INC=@SPRNG_INC@

# MPICH library path
MPI_LIBDIR=@MPI_LIBDIR@

# MPICH library
MPI_LIB=@MPI_LIB@

# MPICH include path
MPI_INC=@MPI_INC@

# MPI F90 Module path
MPI_F90_MODS=@MPI_F90_MODS@

# Compiler dependent Fortran module
FLIBS_EXTRA = @F90LIBS@

# Location of yacc (or its substitution)
YACC=@YACC@

#location of lex
LEX=@LEX@

# C compiler
CC=@CC@

# C++ compiler

CXX=@CXX@

# F90 compiler
F90=@F90@

# ar
AR=@AR@

# ranlib
RANLIB=@RANLIB@

# rm
RM=rm -f

# soft link
LN_S=@LN_S@

# BSD install
INSTALL=@INSTALL@
INSTALL_PROGRAM=@INSTALL_PROGRAM@
INSTALL_DATA=@INSTALL_DATA@
MKINSTALLDIRS=@MKINSTALLDIRS@

# CPP flags
CPPFLAGS=@CPPFLAGS@

# C flags
CFLAGS_C=@CFLAGS@

# C++ flags
CXXFLAGS_C=@CXXFLAGS@

# Preprocessor flag for fortran
PREPFLAG=@PREPFLAG@

# Preprocessor define flag for fortran
PREPDEFFLAG=@PREPDEFFLAG@

# Fortran flags
FFLAGS_C=@FFLAGS@

# Fortran90 flags
F90FLAGS_C=@F90FLAGS@

# LDFLAGS
LDFLAGS=@LDFLAGS@

# First do compile-time flags:

DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)"
MPI_DECLARE=-DIS_MPI

# include paths starting with "." are all relative to the SUBDIRS!!!

INCLUDES= -I.. -I../../libBASS $(SPRNG_INC)
MPI_INCLUDES= -I$(MPI_INC) $(MPI_F90_MODS)

CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP)
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) $(FUNCWRAP)
FFLAGS=$(PREPFLAG) $(FFLAGS_C) 
F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) 
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES)

MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
MPI_F90FLAGS=$(F90FLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES)

SRC_DIR := $(PWD)

# Then do the compile rules:

obj/%.o: %.F90
        cd obj; $(F90) $(F90FLAGS) -c  $(SRC_DIR)/$<

MPIobj/%.o: %.F90
        cd MPIobj; $(F90) $(MPI_F90FLAGS) -c $(SRC_DIR)/$<

obj/%.o: %.cpp
        cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$<

MPIobj/%.o: %.cpp
        cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$<

obj/%.o: %.c
        cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$<

MPIobj/%.o: %.c
        cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$<

# Then list what we have to compile

C_FILES = \
        $(DIR)/mpiForceField.c \
        $(DIR)/fInfo.c

CXX_FILES = \
        $(DIR)/Atom.cpp \
        $(DIR)/Bend.cpp \
        $(DIR)/BendExtensions.cpp \
        $(DIR)/Bond.cpp \
        $(DIR)/BondExtensions.cpp \
        $(DIR)/DirectionalAtom.cpp \
        $(DIR)/DumpWriter.cpp \
        $(DIR)/DumpReader.cpp \
        $(DIR)/Exclude.cpp \
        $(DIR)/InitializeFromFile.cpp \
        $(DIR)/LJFF.cpp \
        $(DIR)/EAM_FF.cpp \
        $(DIR)/SimInfo.cpp \
        $(DIR)/SimSetup.cpp \
        $(DIR)/StatWriter.cpp \
        $(DIR)/Integrator.cpp \
        $(DIR)/Thermo.cpp \
        $(DIR)/GhostBend.cpp \
        $(DIR)/Torsion.cpp \
        $(DIR)/TorsionExtensions.cpp \
        $(DIR)/DUFF.cpp \
        $(DIR)/randomSPRNG.cpp \
        $(DIR)/fortranWrappers.cpp \
        $(DIR)/ForceFields.cpp \
        $(DIR)/mpiSimulation.cpp \
        $(DIR)/Molecule.cpp \
        $(DIR)/NPTf.cpp \
        $(DIR)/NPTi.cpp \
        $(DIR)/NPTxym.cpp \
        $(DIR)/NPTzm.cpp \
        $(DIR)/NVT.cpp \
        $(DIR)/SimState.cpp \
        $(DIR)/ZConstraint.cpp \
        $(DIR)/ZConsWriter.cpp \
        $(DIR)/GenericData.cpp

F90_FILES= \
        $(DIR)/definitions_module.F90 \
        $(DIR)/status_module.F90 \
        $(DIR)/atype_module.F90 \
        $(DIR)/calc_dipole_dipole.F90 \
        $(DIR)/calc_reaction_field.F90 \
        $(DIR)/calc_LJ_FF.F90 \
        $(DIR)/calc_eam.F90 \
        $(DIR)/calc_sticky_pair.F90 \
        $(DIR)/do_Forces.F90 \
        $(DIR)/vector_class.F90 \
        $(DIR)/simulation_module.F90 \
        $(DIR)/wrappers.F90 \
        $(DIR)/neighborLists.F90 \
        $(DIR)/calc_gb.F90 \
        $(DIR)/force_globals.F90 \
        $(DIR)/mpiSimulation_module.F90 \
        $(DIR)/notifyCutoffs.F90

DIR:=.
C_SRCS   :=     $(C_FILES)
CXX_SRCS :=     $(CXX_FILES)
F90_SRCS :=     $(F90_FILES)
SRCS     :=     $(C_SRCS) $(CXX_SRCS) $(F90_SRCS)

DIR:=obj
C_OBJS   :=     $(C_FILES:.c=.o)
CXX_OBJS :=     $(CXX_FILES:.cpp=.o)
F90_OBJS :=     $(F90_FILES:.F90=.o)
OBJS     :=     $(C_OBJS) $(CXX_OBJS) $(F90_OBJS)

DIR:=MPIobj
C_MPIOBJS   :=  $(C_FILES:.c=.o)
CXX_MPIOBJS :=  $(CXX_FILES:.cpp=.o)
F90_MPIOBJS :=  $(F90_FILES:.F90=.o)
MPIOBJS     :=  $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS)

LIBSUBDIRS = \
        obj \
        MPIobj

# Possible make targets:

all: libmdtools.a libmdtools_MPI.a

libmdtools.a: $(OBJS)
        $(RM) $@
        $(AR) cr $@ $(OBJS)
        $(RANLIB) $@

libmdtools_MPI.a: $(MPIOBJS)
        $(RM) $@
        $(AR) cr $@ $(MPIOBJS)
        $(RANLIB) $@

.PHONY : clean

clean : dummy
        for i in $(LIBSUBDIRS); do \
          (cd $$i; $(RM) *.o *.mod) || exit 1; \
        done
        $(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp

distclean : dummy
        for i in $(LIBSUBDIRS); do \
          (cd $$i; $(RM) *.o *.mod) || exit 1; \
        done
        $(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp

depend : Make.dep

Make.dep :
        echo "Only C dependencies are made automagically!"
        echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep
        $(CC) $(DEPFLAGS) -MM $(C_SRCS) \
                | sed 's/\.o:/\$$(O)\ :/g' > Make.temp
        $(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \
                | sed 's/\.o:/\$$(O)\ :/g' >> Make.temp
        cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep
        cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep
#       ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90
#       ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90
#       cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep
        $(RM) Make.ftemp Make.temp

install : dummy

links : dummy

tests : dummy

dummy :

include Make.dep

obj/definitions_module$(O): ./definitions_module.F90

obj/vector_class$(O): ./vector_class.F90

obj/status_module$(O): ./status_module.F90

obj/force_globals$(O): ./force_globals.F90 \
        obj/definitions_module$(O)

obj/neighborLists$(O): ./neighborLists.F90 \
        obj/definitions_module$(O) 

obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
        obj/definitions_module$(O) \
        obj/simulation_module$(O) \
        obj/force_globals$(O)

obj/calc_eam$(O): ./calc_eam.F90 \
        obj/definitions_module$(O) \
        obj/atype_module$(O) \
        obj/simulation_module$(O) \
        obj/vector_class$(O) \
        obj/force_globals$(O) \
        obj/status_module$(O)

obj/calc_gb$(O): ./calc_gb.F90 \
        obj/definitions_module$(O) \
        obj/simulation_module$(O) \
        obj/force_globals$(O)

obj/atype_module$(O): ./atype_module.F90 \
        obj/definitions_module$(O) \
        obj/vector_class$(O)

obj/simulation_module$(O): ./simulation_module.F90 \
        obj/definitions_module$(O) \
        obj/vector_class$(O) \
        obj/force_globals$(O) \
        obj/atype_module$(O) \
        obj/neighborLists$(O)

obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
        obj/definitions_module$(O) \
        obj/atype_module$(O) \
        obj/simulation_module$(O) \
        obj/vector_class$(O) \
        obj/force_globals$(O)

obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
        obj/definitions_module$(O) \
        obj/vector_class$(O) \
        obj/atype_module$(O) \
        obj/simulation_module$(O) \
        obj/force_globals$(O)

obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
        obj/definitions_module$(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$(O) \
        obj/simulation_module$(O) \
        obj/neighborLists$(O) \
        obj/calc_LJ_FF$(O) \
        obj/calc_sticky_pair$(O) \
        obj/calc_dipole_dipole$(O) \
        obj/calc_reaction_field$(O) \
        obj/calc_gb$(O) \
        obj/force_globals$(O) \
        obj/vector_class$(O)

obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
        obj/definitions_module$(O) \
        obj/atype_module$(O) \
        obj/calc_LJ_FF$(O) \
        obj/calc_eam$(O) \
        obj/calc_dipole_dipole$(O) \
        obj/calc_reaction_field$(O) \
        obj/do_Forces$(O) 

obj/wrappers$(O): ./wrappers.F90 \
        obj/definitions_module$(O) \
        obj/atype_module$(O) \
        obj/simulation_module$(O) \
        obj/calc_sticky_pair$(O) \
        obj/calc_gb$(O) \
        obj/do_Forces$(O) \
        obj/notifyCutoffs$(O) 


#MPI dependencies:

MPIobj/definitions_module$(O): ./definitions_module.F90

MPIobj/vector_class$(O): ./vector_class.F90

MPIobj/status_module$(O): ./status_module.F90

MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90

MPIobj/force_globals$(O): ./force_globals.F90 \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/definitions_module$(O)

MPIobj/neighborLists$(O): ./neighborLists.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/mpiSimulation_module$(O) 

MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/force_globals$(O)

MPIobj/calc_gb$(O): ./calc_gb.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/force_globals$(O)

MPIobj/calc_eam$(O): ./calc_eam.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/vector_class$(O) \
        MPIobj/force_globals$(O) \
        MPIobj/status_module$(O)

MPIobj/atype_module$(O): ./atype_module.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/vector_class$(O)

MPIobj/simulation_module$(O): ./simulation_module.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/vector_class$(O) \
        MPIobj/force_globals$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/neighborLists$(O)

MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/vector_class$(O) \
        MPIobj/force_globals$(O)

MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/vector_class$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/force_globals$(O)

MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
        MPIobj/definitions_module$(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$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/neighborLists$(O) \
        MPIobj/calc_LJ_FF$(O) \
        MPIobj/calc_sticky_pair$(O) \
        MPIobj/calc_dipole_dipole$(O) \
        MPIobj/calc_reaction_field$(O) \
        MPIobj/calc_gb$(O) \
        MPIobj/force_globals$(O) \
        MPIobj/vector_class$(O)

MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/calc_LJ_FF$(O) \
        MPIobj/calc_eam$(O) \
        MPIobj/calc_dipole_dipole$(O) \
        MPIobj/calc_reaction_field$(O) \
        MPIobj/do_Forces$(O) 

MPIobj/wrappers$(O): ./wrappers.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/simulation_module$(O) \
        MPIobj/calc_sticky_pair$(O) \
        MPIobj/calc_gb$(O) \
        MPIobj/do_Forces$(O) \
        MPIobj/notifyCutoffs$(O)  

Revision:	804
Committed:	Thu Oct 16 19:16:24 2003 UTC (20 years, 8 months ago) by mmeineke
File size:	11501 byte(s)
Log Message:	Changed DumpReader to use linked lists instead of a vector. Fixed the makefile to build DumpReader.cpp Removed a comment output in Exclude.cpp Modified DumpWriter and Integrator to write an eor file every time a frame is written. This lets the .eor file represent the last written frame of a simulation.
#	User	Rev	Content
1	gezelter	747	#####################################################
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 $(O)
9
10			# Extension of object files
11			O=@OBJEXT@
12
13			# Extension of executables
14			EXE=@EXEEXT@
15
16			# Bourn shell
17			SHELL=/bin/sh
18
19			# Path prefix for installation links
20			PREFIX=@prefix@
21
22			# List of subdirectories
23			SUBDIRS=@SUBDIRS@
24
25			# Location of the oopse home
26			OOPSE_HOME=@OOPSE_HOME@
27
28			FORCE_PARAM_DIR=@OOPSE_HOME@/share/forceFields/
29			SAMPLE_SIM_DIR=@OOPSE_HOME@/share/samples/
30
31			# SPRNG library path
32			SPRNG_LIBDIR=@SPRNG_LIBDIR@
33
34			# SPRNG library
35			SPRNG_LIB=@SPRNG_LIB@
36
37			# SPRNG include path
38			SPRNG_INC=@SPRNG_INC@
39
40			# MPICH library path
41			MPI_LIBDIR=@MPI_LIBDIR@
42
43			# MPICH library
44			MPI_LIB=@MPI_LIB@
45
46			# MPICH include path
47			MPI_INC=@MPI_INC@
48
49			# MPI F90 Module path
50			MPI_F90_MODS=@MPI_F90_MODS@
51
52			# Compiler dependent Fortran module
53			FLIBS_EXTRA = @F90LIBS@
54
55			# Location of yacc (or its substitution)
56			YACC=@YACC@
57
58			#location of lex
59			LEX=@LEX@
60
61			# C compiler
62			CC=@CC@
63
64			# C++ compiler
65
66			CXX=@CXX@
67
68			# F90 compiler
69			F90=@F90@
70
71			# ar
72			AR=@AR@
73
74			# ranlib
75			RANLIB=@RANLIB@
76
77			# rm
78			RM=rm -f
79
80			# soft link
81			LN_S=@LN_S@
82
83			# BSD install
84			INSTALL=@INSTALL@
85			INSTALL_PROGRAM=@INSTALL_PROGRAM@
86			INSTALL_DATA=@INSTALL_DATA@
87			MKINSTALLDIRS=@MKINSTALLDIRS@
88
89			# CPP flags
90			CPPFLAGS=@CPPFLAGS@
91
92			# C flags
93			CFLAGS_C=@CFLAGS@
94
95			# C++ flags
96			CXXFLAGS_C=@CXXFLAGS@
97
98			# Preprocessor flag for fortran
99			PREPFLAG=@PREPFLAG@
100
101			# Preprocessor define flag for fortran
102			PREPDEFFLAG=@PREPDEFFLAG@
103
104			# Fortran flags
105	gezelter	785	FFLAGS_C=@FFLAGS@
106	gezelter	747
107	gezelter	785	# Fortran90 flags
108			F90FLAGS_C=@F90FLAGS@
109
110	gezelter	747	# LDFLAGS
111			LDFLAGS=@LDFLAGS@
112
113			# First do compile-time flags:
114
115			DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)"
116			MPI_DECLARE=-DIS_MPI
117
118			# include paths starting with "." are all relative to the SUBDIRS!!!
119
120			INCLUDES= -I.. -I../../libBASS $(SPRNG_INC)
121			MPI_INCLUDES= -I$(MPI_INC) $(MPI_F90_MODS)
122
123			CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP)
124			CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) $(FUNCWRAP)
125			FFLAGS=$(PREPFLAG) $(FFLAGS_C)
126	gezelter	785	F90FLAGS=$(PREPFLAG) $(F90FLAGS_C)
127	gezelter	747	DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES)
128
129			MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
130			MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
131	gezelter	785	MPI_F90FLAGS=$(F90FLAGS) $(PREPDEFFLAG)$(MPI_DECLARE) $(MPI_INCLUDES)
132	gezelter	747
133			SRC_DIR := $(PWD)
134
135			# Then do the compile rules:
136
137			obj/%.o: %.F90
138	gezelter	785	cd obj; $(F90) $(F90FLAGS) -c $(SRC_DIR)/$<
139	gezelter	747
140			MPIobj/%.o: %.F90
141	gezelter	785	cd MPIobj; $(F90) $(MPI_F90FLAGS) -c $(SRC_DIR)/$<
142	gezelter	747
143			obj/%.o: %.cpp
144			cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$<
145
146			MPIobj/%.o: %.cpp
147			cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$<
148
149			obj/%.o: %.c
150			cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$<
151
152			MPIobj/%.o: %.c
153			cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$<
154
155			# Then list what we have to compile
156
157			C_FILES = \
158			$(DIR)/mpiForceField.c \
159			$(DIR)/fInfo.c
160
161			CXX_FILES = \
162			$(DIR)/Atom.cpp \
163			$(DIR)/Bend.cpp \
164			$(DIR)/BendExtensions.cpp \
165			$(DIR)/Bond.cpp \
166			$(DIR)/BondExtensions.cpp \
167			$(DIR)/DirectionalAtom.cpp \
168			$(DIR)/DumpWriter.cpp \
169	mmeineke	804	$(DIR)/DumpReader.cpp \
170	gezelter	747	$(DIR)/Exclude.cpp \
171			$(DIR)/InitializeFromFile.cpp \
172			$(DIR)/LJFF.cpp \
173			$(DIR)/EAM_FF.cpp \
174			$(DIR)/SimInfo.cpp \
175			$(DIR)/SimSetup.cpp \
176			$(DIR)/StatWriter.cpp \
177			$(DIR)/Integrator.cpp \
178			$(DIR)/Thermo.cpp \
179			$(DIR)/GhostBend.cpp \
180			$(DIR)/Torsion.cpp \
181			$(DIR)/TorsionExtensions.cpp \
182			$(DIR)/DUFF.cpp \
183			$(DIR)/randomSPRNG.cpp \
184			$(DIR)/fortranWrappers.cpp \
185			$(DIR)/ForceFields.cpp \
186			$(DIR)/mpiSimulation.cpp \
187			$(DIR)/Molecule.cpp \
188	gezelter	761	$(DIR)/NPTf.cpp \
189			$(DIR)/NPTi.cpp \
190			$(DIR)/NPTxym.cpp \
191			$(DIR)/NPTzm.cpp \
192			$(DIR)/NVT.cpp \
193	gezelter	747	$(DIR)/SimState.cpp \
194			$(DIR)/ZConstraint.cpp \
195			$(DIR)/ZConsWriter.cpp \
196			$(DIR)/GenericData.cpp
197
198			F90_FILES= \
199			$(DIR)/definitions_module.F90 \
200			$(DIR)/status_module.F90 \
201			$(DIR)/atype_module.F90 \
202			$(DIR)/calc_dipole_dipole.F90 \
203			$(DIR)/calc_reaction_field.F90 \
204			$(DIR)/calc_LJ_FF.F90 \
205			$(DIR)/calc_eam.F90 \
206			$(DIR)/calc_sticky_pair.F90 \
207			$(DIR)/do_Forces.F90 \
208			$(DIR)/vector_class.F90 \
209			$(DIR)/simulation_module.F90 \
210			$(DIR)/wrappers.F90 \
211			$(DIR)/neighborLists.F90 \
212			$(DIR)/calc_gb.F90 \
213			$(DIR)/force_globals.F90 \
214			$(DIR)/mpiSimulation_module.F90 \
215			$(DIR)/notifyCutoffs.F90
216
217			DIR:=.
218			C_SRCS := $(C_FILES)
219			CXX_SRCS := $(CXX_FILES)
220			F90_SRCS := $(F90_FILES)
221			SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS)
222
223			DIR:=obj
224			C_OBJS := $(C_FILES:.c=.o)
225			CXX_OBJS := $(CXX_FILES:.cpp=.o)
226			F90_OBJS := $(F90_FILES:.F90=.o)
227			OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS)
228
229			DIR:=MPIobj
230			C_MPIOBJS := $(C_FILES:.c=.o)
231			CXX_MPIOBJS := $(CXX_FILES:.cpp=.o)
232			F90_MPIOBJS := $(F90_FILES:.F90=.o)
233			MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS)
234
235			LIBSUBDIRS = \
236			obj \
237			MPIobj
238
239			# Possible make targets:
240
241			all: libmdtools.a libmdtools_MPI.a
242
243			libmdtools.a: $(OBJS)
244			$(RM) $@
245			$(AR) cr $@ $(OBJS)
246			$(RANLIB) $@
247
248			libmdtools_MPI.a: $(MPIOBJS)
249			$(RM) $@
250			$(AR) cr $@ $(MPIOBJS)
251			$(RANLIB) $@
252
253			.PHONY : clean
254
255			clean : dummy
256			for i in $(LIBSUBDIRS); do \
257			(cd $$i; $(RM) .o .mod) \|\| exit 1; \
258			done
259			$(RM) libmdtools.a libmdtools_MPI.a .o .mod *~ Make.temp Make.ftemp
260
261			distclean : dummy
262			for i in $(LIBSUBDIRS); do \
263			(cd $$i; $(RM) .o .mod) \|\| exit 1; \
264			done
265			$(RM) libmdtools.a libmdtools_MPI.a .o .mod *~ Make.temp Make.ftemp
266
267			depend : Make.dep
268
269			Make.dep :
270			echo "Only C dependencies are made automagically!"
271			echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep
272			$(CC) $(DEPFLAGS) -MM $(C_SRCS) \
273			\| sed 's/\.o:/\$$(O)\ :/g' > Make.temp
274			$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \
275			\| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp
276			cat Make.temp \| sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep
277			cat Make.temp \| sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep
278			# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90
279			# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90
280			# cat Make.ftemp \| sed 's/\.o:/\$$(O)\ :/g' >> Make.dep
281			$(RM) Make.ftemp Make.temp
282
283			install : dummy
284
285			links : dummy
286
287			tests : dummy
288
289			dummy :
290
291			include Make.dep
292
293			obj/definitions_module$(O): ./definitions_module.F90
294
295			obj/vector_class$(O): ./vector_class.F90
296
297			obj/status_module$(O): ./status_module.F90
298
299			obj/force_globals$(O): ./force_globals.F90 \
300			obj/definitions_module$(O)
301
302			obj/neighborLists$(O): ./neighborLists.F90 \
303			obj/definitions_module$(O)
304
305			obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
306			obj/definitions_module$(O) \
307			obj/simulation_module$(O) \
308			obj/force_globals$(O)
309
310			obj/calc_eam$(O): ./calc_eam.F90 \
311			obj/definitions_module$(O) \
312			obj/atype_module$(O) \
313			obj/simulation_module$(O) \
314			obj/vector_class$(O) \
315			obj/force_globals$(O) \
316			obj/status_module$(O)
317
318			obj/calc_gb$(O): ./calc_gb.F90 \
319			obj/definitions_module$(O) \
320			obj/simulation_module$(O) \
321			obj/force_globals$(O)
322
323			obj/atype_module$(O): ./atype_module.F90 \
324			obj/definitions_module$(O) \
325			obj/vector_class$(O)
326
327			obj/simulation_module$(O): ./simulation_module.F90 \
328			obj/definitions_module$(O) \
329			obj/vector_class$(O) \
330			obj/force_globals$(O) \
331			obj/atype_module$(O) \
332			obj/neighborLists$(O)
333
334			obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
335			obj/definitions_module$(O) \
336			obj/atype_module$(O) \
337			obj/simulation_module$(O) \
338			obj/vector_class$(O) \
339			obj/force_globals$(O)
340
341			obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
342			obj/definitions_module$(O) \
343			obj/vector_class$(O) \
344			obj/atype_module$(O) \
345			obj/simulation_module$(O) \
346			obj/force_globals$(O)
347
348			obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
349			obj/definitions_module$(O) \
350			obj/atype_module$(O) \
351			obj/simulation_module$(O) \
352			obj/force_globals$(O) \
353			obj/vector_class$(O)
354
355			obj/do_Forces$(O): ./do_Forces.F90 \
356			obj/definitions_module$(O) \
357			obj/atype_module$(O) \
358			obj/simulation_module$(O) \
359			obj/neighborLists$(O) \
360			obj/calc_LJ_FF$(O) \
361			obj/calc_sticky_pair$(O) \
362			obj/calc_dipole_dipole$(O) \
363			obj/calc_reaction_field$(O) \
364			obj/calc_gb$(O) \
365			obj/force_globals$(O) \
366			obj/vector_class$(O)
367
368			obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
369			obj/definitions_module$(O) \
370			obj/atype_module$(O) \
371			obj/calc_LJ_FF$(O) \
372			obj/calc_eam$(O) \
373			obj/calc_dipole_dipole$(O) \
374			obj/calc_reaction_field$(O) \
375			obj/do_Forces$(O)
376
377			obj/wrappers$(O): ./wrappers.F90 \
378			obj/definitions_module$(O) \
379			obj/atype_module$(O) \
380			obj/simulation_module$(O) \
381			obj/calc_sticky_pair$(O) \
382			obj/calc_gb$(O) \
383			obj/do_Forces$(O) \
384			obj/notifyCutoffs$(O)
385
386
387
388
389
390
391			#MPI dependencies:
392
393			MPIobj/definitions_module$(O): ./definitions_module.F90
394
395			MPIobj/vector_class$(O): ./vector_class.F90
396
397			MPIobj/status_module$(O): ./status_module.F90
398
399			MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90
400
401			MPIobj/force_globals$(O): ./force_globals.F90 \
402			MPIobj/mpiSimulation_module$(O) \
403			MPIobj/definitions_module$(O)
404
405			MPIobj/neighborLists$(O): ./neighborLists.F90 \
406			MPIobj/definitions_module$(O) \
407			MPIobj/mpiSimulation_module$(O)
408
409			MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
410			MPIobj/definitions_module$(O) \
411			MPIobj/simulation_module$(O) \
412			MPIobj/mpiSimulation_module$(O) \
413			MPIobj/force_globals$(O)
414
415			MPIobj/calc_gb$(O): ./calc_gb.F90 \
416			MPIobj/definitions_module$(O) \
417			MPIobj/simulation_module$(O) \
418			MPIobj/mpiSimulation_module$(O) \
419			MPIobj/force_globals$(O)
420
421			MPIobj/calc_eam$(O): ./calc_eam.F90 \
422			MPIobj/definitions_module$(O) \
423			MPIobj/atype_module$(O) \
424			MPIobj/simulation_module$(O) \
425			MPIobj/mpiSimulation_module$(O) \
426			MPIobj/vector_class$(O) \
427			MPIobj/force_globals$(O) \
428			MPIobj/status_module$(O)
429
430			MPIobj/atype_module$(O): ./atype_module.F90 \
431			MPIobj/definitions_module$(O) \
432			MPIobj/vector_class$(O)
433
434			MPIobj/simulation_module$(O): ./simulation_module.F90 \
435			MPIobj/definitions_module$(O) \
436			MPIobj/atype_module$(O) \
437			MPIobj/vector_class$(O) \
438			MPIobj/force_globals$(O) \
439			MPIobj/mpiSimulation_module$(O) \
440			MPIobj/atype_module$(O) \
441			MPIobj/neighborLists$(O)
442
443			MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
444			MPIobj/definitions_module$(O) \
445			MPIobj/atype_module$(O) \
446			MPIobj/simulation_module$(O) \
447			MPIobj/mpiSimulation_module$(O) \
448			MPIobj/atype_module$(O) \
449			MPIobj/vector_class$(O) \
450			MPIobj/force_globals$(O)
451
452			MPIobj/calc_reaction_field$(O): ./calc_reaction_field.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$(O) \
458			MPIobj/atype_module$(O) \
459			MPIobj/force_globals$(O)
460
461			MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
462			MPIobj/definitions_module$(O) \
463			MPIobj/atype_module$(O) \
464			MPIobj/simulation_module$(O) \
465			MPIobj/mpiSimulation_module$(O) \
466			MPIobj/force_globals$(O) \
467			MPIobj/vector_class$(O)
468
469			MPIobj/do_Forces$(O): ./do_Forces.F90 \
470			MPIobj/definitions_module$(O) \
471			MPIobj/mpiSimulation_module$(O) \
472			MPIobj/atype_module$(O) \
473			MPIobj/simulation_module$(O) \
474			MPIobj/neighborLists$(O) \
475			MPIobj/calc_LJ_FF$(O) \
476			MPIobj/calc_sticky_pair$(O) \
477			MPIobj/calc_dipole_dipole$(O) \
478			MPIobj/calc_reaction_field$(O) \
479			MPIobj/calc_gb$(O) \
480			MPIobj/force_globals$(O) \
481			MPIobj/vector_class$(O)
482
483			MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
484			MPIobj/definitions_module$(O) \
485			MPIobj/atype_module$(O) \
486			MPIobj/calc_LJ_FF$(O) \
487			MPIobj/calc_eam$(O) \
488			MPIobj/calc_dipole_dipole$(O) \
489			MPIobj/calc_reaction_field$(O) \
490			MPIobj/do_Forces$(O)
491
492			MPIobj/wrappers$(O): ./wrappers.F90 \
493			MPIobj/definitions_module$(O) \
494			MPIobj/mpiSimulation_module$(O) \
495			MPIobj/atype_module$(O) \
496			MPIobj/simulation_module$(O) \
497			MPIobj/calc_sticky_pair$(O) \
498			MPIobj/calc_gb$(O) \
499			MPIobj/do_Forces$(O) \
500			MPIobj/notifyCutoffs$(O)
501