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@
 
# Compile MPI code?
USE_MPI=@USE_MPI@
  
# MPI include path
MPI_INC_DIR=@MPI_INC_DIR@

# MPI include path
MPI_F90_INC=@MPI_F90_INC@

# 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@

# C++ template flags
OOPSE_TEMPLATE_FLAGS=@OOPSE_TEMPLATE_FLAGS@

# C++ namespace flags
EXTRA_CC_FLAG=@EXTRA_CC_FLAG@

# 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_DIR)
MPI_F90_INCLUDES= -I$(MPI_F90_INC)

CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) 
CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE)
FFLAGS=$(PREPFLAG) $(FFLAGS_C) 
F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) -I../../libBASS
DEPFLAGS=$(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) $(MPI_F90_INCLUDES) $(PREPDEFFLAG)$(MPI_DECLARE)

SRC_DIR := ..

# 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)/MatVec3.c 

CXX_FILES = \
        $(DIR)/Atom.cpp \
        $(DIR)/AtomVisitor.cpp \
        $(DIR)/Bend.cpp \
        $(DIR)/BendExtensions.cpp \
        $(DIR)/Bond.cpp \
        $(DIR)/BondExtensions.cpp \
        $(DIR)/CGFamilyMinimizer.cpp \
        $(DIR)/CompositeVisitor.cpp \
        $(DIR)/DirectionalAtom.cpp \
        $(DIR)/DUFF.cpp \
        $(DIR)/DumpReader.cpp \
        $(DIR)/DumpWriter.cpp \
        $(DIR)/EAM_FF.cpp \
        $(DIR)/Exclude.cpp \
        $(DIR)/ForceFields.cpp \
        $(DIR)/fortranWrappers.cpp \
        $(DIR)/GenericData.cpp \
        $(DIR)/GhostBend.cpp \
        $(DIR)/InitializeFromFile.cpp \
        $(DIR)/Integrator.cpp \
        $(DIR)/LJFF.cpp \
        $(DIR)/mdProfile.cpp \
        $(DIR)/Molecule.cpp \
        $(DIR)/mpiSimulation.cpp \
        $(DIR)/NPT.cpp \
        $(DIR)/NPTf.cpp \
        $(DIR)/NPTi.cpp \
        $(DIR)/NPTxyz.cpp \
        $(DIR)/NVT.cpp \
        $(DIR)/OOPSEMinimizer.cpp \
        $(DIR)/OtherVisitor.cpp \
        $(DIR)/PRCG.cpp \
        $(DIR)/randomSPRNG.cpp \
        $(DIR)/Restraints.cpp \
        $(DIR)/RigidBody.cpp \
        $(DIR)/RigidBodyVisitor.cpp \
        $(DIR)/SDMinimizer.cpp \
        $(DIR)/SimInfo.cpp \
        $(DIR)/SimSetup.cpp \
        $(DIR)/SimState.cpp \
        $(DIR)/SkipList.cpp \
        $(DIR)/StatWriter.cpp \
        $(DIR)/StreamTokenizer.cpp \
        $(DIR)/StuntDouble.cpp \
        $(DIR)/Thermo.cpp \
        $(DIR)/Torsion.cpp \
        $(DIR)/TorsionExtensions.cpp \
        $(DIR)/Utility.cpp \
        $(DIR)/WATER.cpp \
        $(DIR)/ZConsReader.cpp \
        $(DIR)/ZConstraint.cpp \
        $(DIR)/ZconsVisitor.cpp \
        $(DIR)/Restraints.cpp   \
        $(DIR)/ConstraintManager.cpp \
        $(DIR)/ConstraintAlgorithm.cpp \
        $(DIR)/Shake.cpp \
        $(DIR)/Rattle.cpp \
        $(DIR)/ShakeMin.cpp \
        $(DIR)/CallbackFunctor.cpp \
        $(DIR)/ConstraintElement.cpp \
        $(DIR)/ZConsWriter.cpp \
        $(DIR)/Vector3d.cpp \
        $(DIR)/Quaternion.cpp \
        $(DIR)/Mat3x3d.cpp \
        $(DIR)/Euler3.cpp \
        $(DIR)/Roll.cpp

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

ifeq ($(USE_MPI),yes)
all: libmdtools.a libmdtools_MPI.a
else
all: libmdtools.a
endif


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$(O) \
        obj/switch_module$(O) \
        obj/neighborLists$(O)

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

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

obj/timing$(O): ./timing.F90 \
        obj/do_Forces$(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/oopseMPI_module$(O): ./oopseMPI_module.F90

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

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$(O) \
        MPIobj/switch_module$(O) \
        MPIobj/neighborLists$(O)

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

MPIobj/do_Forces$(O): ./do_Forces.F90 \
        MPIobj/definitions_module$(O) \
        MPIobj/mpiSimulation_module$(O) \
        MPIobj/atype_module$(O) \
        MPIobj/switch_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$(O) \
        MPIobj/status_module$(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$(O) \
        MPIobj/switch_module$(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)  

MPIobj/timing$(O): ./timing.F90 \
        MPIobj/do_Forces$(O) \
        MPIobj/mpiSimulation_module$(O)
Revision:	1254
Committed:	Wed Jun 9 16:16:33 2004 UTC (20 years, 1 month ago) by tim
File size:	13665 byte(s)
Log Message:	1. adding some useful math classes(Mat3x3d, Vector3d, Quaternion, Euler3) these classes use anonymous union and struct to support double[3], double[3][3] and double[4] 2. adding roll constraint algorithm
#	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	gezelter	1233
40			# Compile MPI code?
41			USE_MPI=@USE_MPI@
42
43			# MPI include path
44			MPI_INC_DIR=@MPI_INC_DIR@
45	gezelter	747
46	gezelter	1233	# MPI include path
47			MPI_F90_INC=@MPI_F90_INC@
48	gezelter	747
49			# Compiler dependent Fortran module
50			FLIBS_EXTRA = @F90LIBS@
51
52			# Location of yacc (or its substitution)
53			YACC=@YACC@
54
55			#location of lex
56			LEX=@LEX@
57
58			# C compiler
59			CC=@CC@
60
61			# C++ compiler
62
63			CXX=@CXX@
64
65			# F90 compiler
66			F90=@F90@
67
68			# ar
69			AR=@AR@
70
71			# ranlib
72			RANLIB=@RANLIB@
73
74			# rm
75			RM=rm -f
76
77			# soft link
78			LN_S=@LN_S@
79
80			# BSD install
81			INSTALL=@INSTALL@
82			INSTALL_PROGRAM=@INSTALL_PROGRAM@
83			INSTALL_DATA=@INSTALL_DATA@
84			MKINSTALLDIRS=@MKINSTALLDIRS@
85
86			# CPP flags
87			CPPFLAGS=@CPPFLAGS@
88
89			# C flags
90			CFLAGS_C=@CFLAGS@
91
92			# C++ flags
93			CXXFLAGS_C=@CXXFLAGS@
94
95	gezelter	840	# C++ template flags
96			OOPSE_TEMPLATE_FLAGS=@OOPSE_TEMPLATE_FLAGS@
97
98			# C++ namespace flags
99			EXTRA_CC_FLAG=@EXTRA_CC_FLAG@
100
101	gezelter	747	# Preprocessor flag for fortran
102			PREPFLAG=@PREPFLAG@
103
104			# Preprocessor define flag for fortran
105			PREPDEFFLAG=@PREPDEFFLAG@
106
107			# Fortran flags
108	gezelter	785	FFLAGS_C=@FFLAGS@
109	gezelter	747
110	gezelter	785	# Fortran90 flags
111			F90FLAGS_C=@F90FLAGS@
112
113	gezelter	747	# LDFLAGS
114			LDFLAGS=@LDFLAGS@
115
116			# First do compile-time flags:
117
118			DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)"
119			MPI_DECLARE=-DIS_MPI
120
121			# include paths starting with "." are all relative to the SUBDIRS!!!
122
123			INCLUDES= -I.. -I../../libBASS $(SPRNG_INC)
124	gezelter	1233	MPI_INCLUDES= -I$(MPI_INC_DIR)
125			MPI_F90_INCLUDES= -I$(MPI_F90_INC)
126	gezelter	747
127	gezelter	1233	CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE)
128			CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE)
129	gezelter	747	FFLAGS=$(PREPFLAG) $(FFLAGS_C)
130	gezelter	1233	F90FLAGS=$(PREPFLAG) $(F90FLAGS_C) -I../../libBASS
131	gezelter	747	DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES)
132
133			MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
134			MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
135	gezelter	1233	MPI_F90FLAGS=$(F90FLAGS) $(MPI_F90_INCLUDES) $(PREPDEFFLAG)$(MPI_DECLARE)
136	gezelter	747
137	gezelter	829	SRC_DIR := ..
138	gezelter	747
139			# Then do the compile rules:
140
141			obj/%.o: %.F90
142	gezelter	785	cd obj; $(F90) $(F90FLAGS) -c $(SRC_DIR)/$<
143	gezelter	747
144			MPIobj/%.o: %.F90
145	gezelter	785	cd MPIobj; $(F90) $(MPI_F90FLAGS) -c $(SRC_DIR)/$<
146	gezelter	747
147			obj/%.o: %.cpp
148			cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$<
149
150			MPIobj/%.o: %.cpp
151			cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$<
152
153			obj/%.o: %.c
154			cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$<
155
156			MPIobj/%.o: %.c
157			cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$<
158
159			# Then list what we have to compile
160
161			C_FILES = \
162			$(DIR)/mpiForceField.c \
163	gezelter	1237	$(DIR)/MatVec3.c
164	gezelter	747
165			CXX_FILES = \
166	gezelter	1224	$(DIR)/Atom.cpp \
167			$(DIR)/AtomVisitor.cpp \
168	gezelter	747	$(DIR)/Bend.cpp \
169			$(DIR)/BendExtensions.cpp \
170			$(DIR)/Bond.cpp \
171			$(DIR)/BondExtensions.cpp \
172	gezelter	1224	$(DIR)/CGFamilyMinimizer.cpp \
173			$(DIR)/CompositeVisitor.cpp \
174	gezelter	747	$(DIR)/DirectionalAtom.cpp \
175	gezelter	1224	$(DIR)/DUFF.cpp \
176			$(DIR)/DumpReader.cpp \
177	gezelter	747	$(DIR)/DumpWriter.cpp \
178	gezelter	1224	$(DIR)/EAM_FF.cpp \
179	gezelter	747	$(DIR)/Exclude.cpp \
180	gezelter	1224	$(DIR)/ForceFields.cpp \
181			$(DIR)/fortranWrappers.cpp \
182			$(DIR)/GenericData.cpp \
183			$(DIR)/GhostBend.cpp \
184	gezelter	747	$(DIR)/InitializeFromFile.cpp \
185	gezelter	1224	$(DIR)/Integrator.cpp \
186	gezelter	747	$(DIR)/LJFF.cpp \
187	gezelter	1224	$(DIR)/mdProfile.cpp \
188			$(DIR)/Molecule.cpp \
189			$(DIR)/mpiSimulation.cpp \
190			$(DIR)/NPT.cpp \
191			$(DIR)/NPTf.cpp \
192			$(DIR)/NPTi.cpp \
193			$(DIR)/NPTxyz.cpp \
194			$(DIR)/NVT.cpp \
195			$(DIR)/OOPSEMinimizer.cpp \
196			$(DIR)/OtherVisitor.cpp \
197			$(DIR)/PRCG.cpp \
198			$(DIR)/randomSPRNG.cpp \
199			$(DIR)/Restraints.cpp \
200	gezelter	1097	$(DIR)/RigidBody.cpp \
201	gezelter	1224	$(DIR)/RigidBodyVisitor.cpp \
202			$(DIR)/SDMinimizer.cpp \
203	gezelter	747	$(DIR)/SimInfo.cpp \
204			$(DIR)/SimSetup.cpp \
205	gezelter	1224	$(DIR)/SimState.cpp \
206			$(DIR)/SkipList.cpp \
207	gezelter	747	$(DIR)/StatWriter.cpp \
208	gezelter	1224	$(DIR)/StreamTokenizer.cpp \
209	gezelter	1097	$(DIR)/StuntDouble.cpp \
210	gezelter	747	$(DIR)/Thermo.cpp \
211			$(DIR)/Torsion.cpp \
212			$(DIR)/TorsionExtensions.cpp \
213	gezelter	1224	$(DIR)/Utility.cpp \
214			$(DIR)/WATER.cpp \
215			$(DIR)/ZConsReader.cpp \
216	gezelter	747	$(DIR)/ZConstraint.cpp \
217	chrisfen	1180	$(DIR)/ZconsVisitor.cpp \
218	tim	1234	$(DIR)/Restraints.cpp \
219			$(DIR)/ConstraintManager.cpp \
220			$(DIR)/ConstraintAlgorithm.cpp \
221			$(DIR)/Shake.cpp \
222			$(DIR)/Rattle.cpp \
223			$(DIR)/ShakeMin.cpp \
224			$(DIR)/CallbackFunctor.cpp \
225			$(DIR)/ConstraintElement.cpp \
226	tim	1254	$(DIR)/ZConsWriter.cpp \
227			$(DIR)/Vector3d.cpp \
228			$(DIR)/Quaternion.cpp \
229			$(DIR)/Mat3x3d.cpp \
230			$(DIR)/Euler3.cpp \
231			$(DIR)/Roll.cpp
232	gezelter	747
233			F90_FILES= \
234	gezelter	1224	$(DIR)/atype_module.F90 \
235			$(DIR)/calc_charge_charge.F90 \
236	gezelter	747	$(DIR)/calc_dipole_dipole.F90 \
237	gezelter	1224	$(DIR)/calc_eam.F90 \
238			$(DIR)/calc_gb.F90 \
239			$(DIR)/calc_LJ_FF.F90 \
240	gezelter	747	$(DIR)/calc_reaction_field.F90 \
241			$(DIR)/calc_sticky_pair.F90 \
242	gezelter	1224	$(DIR)/definitions_module.F90 \
243	gezelter	747	$(DIR)/do_Forces.F90 \
244			$(DIR)/force_globals.F90 \
245			$(DIR)/mpiSimulation_module.F90 \
246	gezelter	1224	$(DIR)/neighborLists.F90 \
247	chuckv	858	$(DIR)/notifyCutoffs.F90 \
248	gezelter	1224	$(DIR)/oopseMPI_module.F90 \
249			$(DIR)/simulation_module.F90 \
250			$(DIR)/status_module.F90 \
251			$(DIR)/switch_module.F90 \
252	gezelter	940	$(DIR)/timing.F90 \
253	gezelter	1224	$(DIR)/vector_class.F90 \
254			$(DIR)/wrappers.F90
255	gezelter	747
256			DIR:=.
257			C_SRCS := $(C_FILES)
258			CXX_SRCS := $(CXX_FILES)
259			F90_SRCS := $(F90_FILES)
260			SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS)
261
262			DIR:=obj
263			C_OBJS := $(C_FILES:.c=.o)
264			CXX_OBJS := $(CXX_FILES:.cpp=.o)
265			F90_OBJS := $(F90_FILES:.F90=.o)
266			OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS)
267
268			DIR:=MPIobj
269			C_MPIOBJS := $(C_FILES:.c=.o)
270			CXX_MPIOBJS := $(CXX_FILES:.cpp=.o)
271			F90_MPIOBJS := $(F90_FILES:.F90=.o)
272			MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS)
273
274			LIBSUBDIRS = \
275			obj \
276			MPIobj
277
278			# Possible make targets:
279
280	gezelter	1233	ifeq ($(USE_MPI),yes)
281	gezelter	747	all: libmdtools.a libmdtools_MPI.a
282	gezelter	1233	else
283			all: libmdtools.a
284			endif
285	gezelter	747
286	gezelter	1233
287	gezelter	747	libmdtools.a: $(OBJS)
288			$(RM) $@
289			$(AR) cr $@ $(OBJS)
290			$(RANLIB) $@
291
292			libmdtools_MPI.a: $(MPIOBJS)
293			$(RM) $@
294			$(AR) cr $@ $(MPIOBJS)
295			$(RANLIB) $@
296
297			.PHONY : clean
298
299			clean : dummy
300			for i in $(LIBSUBDIRS); do \
301			(cd $$i; $(RM) .o .mod) \|\| exit 1; \
302			done
303			$(RM) libmdtools.a libmdtools_MPI.a .o .mod *~ Make.temp Make.ftemp
304
305			distclean : dummy
306			for i in $(LIBSUBDIRS); do \
307			(cd $$i; $(RM) .o .mod) \|\| exit 1; \
308			done
309			$(RM) libmdtools.a libmdtools_MPI.a .o .mod *~ Make.temp Make.ftemp
310
311			depend : Make.dep
312
313			Make.dep :
314			echo "Only C dependencies are made automagically!"
315			echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep
316			$(CC) $(DEPFLAGS) -MM $(C_SRCS) \
317			\| sed 's/\.o:/\$$(O)\ :/g' > Make.temp
318			$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \
319			\| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp
320			cat Make.temp \| sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep
321			cat Make.temp \| sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep
322			# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90
323			# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90
324			# cat Make.ftemp \| sed 's/\.o:/\$$(O)\ :/g' >> Make.dep
325			$(RM) Make.ftemp Make.temp
326
327			install : dummy
328
329			links : dummy
330
331			tests : dummy
332
333			dummy :
334
335			include Make.dep
336
337			obj/definitions_module$(O): ./definitions_module.F90
338
339			obj/vector_class$(O): ./vector_class.F90
340
341			obj/status_module$(O): ./status_module.F90
342
343			obj/force_globals$(O): ./force_globals.F90 \
344			obj/definitions_module$(O)
345
346			obj/neighborLists$(O): ./neighborLists.F90 \
347			obj/definitions_module$(O)
348
349			obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
350			obj/definitions_module$(O) \
351			obj/simulation_module$(O) \
352			obj/force_globals$(O)
353
354			obj/calc_eam$(O): ./calc_eam.F90 \
355			obj/definitions_module$(O) \
356			obj/atype_module$(O) \
357			obj/simulation_module$(O) \
358			obj/vector_class$(O) \
359			obj/force_globals$(O) \
360			obj/status_module$(O)
361
362			obj/calc_gb$(O): ./calc_gb.F90 \
363			obj/definitions_module$(O) \
364			obj/simulation_module$(O) \
365			obj/force_globals$(O)
366
367			obj/atype_module$(O): ./atype_module.F90 \
368			obj/definitions_module$(O) \
369			obj/vector_class$(O)
370
371			obj/simulation_module$(O): ./simulation_module.F90 \
372			obj/definitions_module$(O) \
373			obj/vector_class$(O) \
374			obj/force_globals$(O) \
375			obj/atype_module$(O) \
376	gezelter	1224	obj/switch_module$(O) \
377	gezelter	747	obj/neighborLists$(O)
378
379			obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
380			obj/definitions_module$(O) \
381			obj/atype_module$(O) \
382	gezelter	1224	obj/switch_module$(O) \
383	gezelter	747	obj/simulation_module$(O) \
384			obj/vector_class$(O) \
385			obj/force_globals$(O)
386
387			obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
388			obj/definitions_module$(O) \
389			obj/vector_class$(O) \
390			obj/atype_module$(O) \
391			obj/simulation_module$(O) \
392	gezelter	1224	obj/status_module$(O) \
393	gezelter	747	obj/force_globals$(O)
394
395			obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
396			obj/definitions_module$(O) \
397			obj/atype_module$(O) \
398			obj/simulation_module$(O) \
399			obj/force_globals$(O) \
400	gezelter	1224	obj/status_module$(O) \
401	gezelter	747	obj/vector_class$(O)
402
403	gezelter	940	obj/calc_charge_charge$(O): ./calc_charge_charge.F90 \
404			obj/definitions_module$(O) \
405			obj/atype_module$(O) \
406			obj/simulation_module$(O) \
407			obj/force_globals$(O) \
408	gezelter	1224	obj/status_module$(O) \
409	gezelter	940	obj/vector_class$(O)
410
411	gezelter	747	obj/do_Forces$(O): ./do_Forces.F90 \
412			obj/definitions_module$(O) \
413			obj/atype_module$(O) \
414	gezelter	1150	obj/switch_module$(O) \
415	gezelter	747	obj/simulation_module$(O) \
416			obj/neighborLists$(O) \
417			obj/calc_LJ_FF$(O) \
418			obj/calc_sticky_pair$(O) \
419			obj/calc_dipole_dipole$(O) \
420			obj/calc_reaction_field$(O) \
421			obj/calc_gb$(O) \
422			obj/force_globals$(O) \
423	gezelter	1224	obj/status_module$(O) \
424	gezelter	747	obj/vector_class$(O)
425
426			obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
427			obj/definitions_module$(O) \
428			obj/atype_module$(O) \
429			obj/calc_LJ_FF$(O) \
430			obj/calc_eam$(O) \
431			obj/calc_dipole_dipole$(O) \
432			obj/calc_reaction_field$(O) \
433	gezelter	1224	obj/switch_module$(O) \
434	gezelter	747	obj/do_Forces$(O)
435
436			obj/wrappers$(O): ./wrappers.F90 \
437			obj/definitions_module$(O) \
438			obj/atype_module$(O) \
439			obj/simulation_module$(O) \
440			obj/calc_sticky_pair$(O) \
441			obj/calc_gb$(O) \
442			obj/do_Forces$(O) \
443			obj/notifyCutoffs$(O)
444
445	mmeineke	891	obj/timing$(O): ./timing.F90 \
446			obj/do_Forces$(O)
447	gezelter	747
448
449
450			#MPI dependencies:
451
452			MPIobj/definitions_module$(O): ./definitions_module.F90
453
454			MPIobj/vector_class$(O): ./vector_class.F90
455
456			MPIobj/status_module$(O): ./status_module.F90
457
458	chuckv	858	MPIobj/oopseMPI_module$(O): ./oopseMPI_module.F90
459	gezelter	747
460	chuckv	858	MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 \
461			MPIobj/oopseMPI_module$(O)
462
463	gezelter	747	MPIobj/force_globals$(O): ./force_globals.F90 \
464			MPIobj/mpiSimulation_module$(O) \
465			MPIobj/definitions_module$(O)
466
467			MPIobj/neighborLists$(O): ./neighborLists.F90 \
468			MPIobj/definitions_module$(O) \
469			MPIobj/mpiSimulation_module$(O)
470
471			MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \
472			MPIobj/definitions_module$(O) \
473			MPIobj/simulation_module$(O) \
474			MPIobj/mpiSimulation_module$(O) \
475			MPIobj/force_globals$(O)
476
477			MPIobj/calc_gb$(O): ./calc_gb.F90 \
478			MPIobj/definitions_module$(O) \
479			MPIobj/simulation_module$(O) \
480			MPIobj/mpiSimulation_module$(O) \
481			MPIobj/force_globals$(O)
482
483			MPIobj/calc_eam$(O): ./calc_eam.F90 \
484			MPIobj/definitions_module$(O) \
485			MPIobj/atype_module$(O) \
486			MPIobj/simulation_module$(O) \
487			MPIobj/mpiSimulation_module$(O) \
488			MPIobj/vector_class$(O) \
489			MPIobj/force_globals$(O) \
490			MPIobj/status_module$(O)
491
492			MPIobj/atype_module$(O): ./atype_module.F90 \
493			MPIobj/definitions_module$(O) \
494			MPIobj/vector_class$(O)
495
496			MPIobj/simulation_module$(O): ./simulation_module.F90 \
497			MPIobj/definitions_module$(O) \
498			MPIobj/atype_module$(O) \
499			MPIobj/vector_class$(O) \
500			MPIobj/force_globals$(O) \
501			MPIobj/mpiSimulation_module$(O) \
502			MPIobj/atype_module$(O) \
503	gezelter	1224	MPIobj/switch_module$(O) \
504	gezelter	747	MPIobj/neighborLists$(O)
505
506			MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \
507			MPIobj/definitions_module$(O) \
508			MPIobj/atype_module$(O) \
509	gezelter	1224	MPIobj/switch_module$(O) \
510	gezelter	747	MPIobj/simulation_module$(O) \
511			MPIobj/mpiSimulation_module$(O) \
512			MPIobj/atype_module$(O) \
513			MPIobj/vector_class$(O) \
514			MPIobj/force_globals$(O)
515
516			MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \
517			MPIobj/definitions_module$(O) \
518			MPIobj/atype_module$(O) \
519			MPIobj/simulation_module$(O) \
520			MPIobj/mpiSimulation_module$(O) \
521			MPIobj/vector_class$(O) \
522			MPIobj/atype_module$(O) \
523	gezelter	1224	MPIobj/status_module$(O) \
524	gezelter	747	MPIobj/force_globals$(O)
525
526			MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \
527			MPIobj/definitions_module$(O) \
528			MPIobj/atype_module$(O) \
529			MPIobj/simulation_module$(O) \
530			MPIobj/mpiSimulation_module$(O) \
531			MPIobj/force_globals$(O) \
532	gezelter	1224	MPIobj/status_module$(O) \
533	gezelter	747	MPIobj/vector_class$(O)
534
535	gezelter	940	MPIobj/calc_charge_charge$(O): ./calc_charge_charge.F90 \
536			MPIobj/definitions_module$(O) \
537			MPIobj/atype_module$(O) \
538			MPIobj/simulation_module$(O) \
539			MPIobj/mpiSimulation_module$(O) \
540			MPIobj/force_globals$(O) \
541	gezelter	1224	MPIobj/status_module$(O) \
542	gezelter	940	MPIobj/vector_class$(O)
543
544	gezelter	747	MPIobj/do_Forces$(O): ./do_Forces.F90 \
545			MPIobj/definitions_module$(O) \
546			MPIobj/mpiSimulation_module$(O) \
547			MPIobj/atype_module$(O) \
548	gezelter	1150	MPIobj/switch_module$(O) \
549	gezelter	747	MPIobj/simulation_module$(O) \
550			MPIobj/neighborLists$(O) \
551			MPIobj/calc_LJ_FF$(O) \
552			MPIobj/calc_sticky_pair$(O) \
553			MPIobj/calc_dipole_dipole$(O) \
554			MPIobj/calc_reaction_field$(O) \
555			MPIobj/calc_gb$(O) \
556			MPIobj/force_globals$(O) \
557	gezelter	1224	MPIobj/status_module$(O) \
558	gezelter	747	MPIobj/vector_class$(O)
559
560			MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \
561			MPIobj/definitions_module$(O) \
562			MPIobj/atype_module$(O) \
563			MPIobj/calc_LJ_FF$(O) \
564			MPIobj/calc_eam$(O) \
565			MPIobj/calc_dipole_dipole$(O) \
566			MPIobj/calc_reaction_field$(O) \
567	gezelter	1224	MPIobj/switch_module$(O) \
568	gezelter	747	MPIobj/do_Forces$(O)
569
570			MPIobj/wrappers$(O): ./wrappers.F90 \
571			MPIobj/definitions_module$(O) \
572			MPIobj/mpiSimulation_module$(O) \
573			MPIobj/atype_module$(O) \
574			MPIobj/simulation_module$(O) \
575			MPIobj/calc_sticky_pair$(O) \
576			MPIobj/calc_gb$(O) \
577			MPIobj/do_Forces$(O) \
578			MPIobj/notifyCutoffs$(O)
579
580	mmeineke	891	MPIobj/timing$(O): ./timing.F90 \
581			MPIobj/do_Forces$(O) \
582			MPIobj/mpiSimulation_module$(O)