--- trunk/OOPSE-2.0/make/Makefile.in	2004/11/05 21:04:12	1715
+++ trunk/OOPSE-2.0/make/Makefile.in	2005/12/30 15:32:55	2531
@@ -38,51 +38,70 @@ PackageLibs = \
 #packages containing libraries
 PackageLibs = \
 	utils \
+	visitors \
 	math \
 	types \
 	primitives \
-	visitors \
 	UseTheForce/DarkSide \
 	UseTheForce \
 	brains \
 	io \
+	integrators\
 	constraints \
-	profiling \
-	restraints \
 	minimizers \
-
+	selection \
+	restraints \
+	lattice \
+	openbabel\
+        antlr\
+        mdParser
 #packages containing applications
 Applications = \
 	applications/oopse \
 	applications/dump2Xyz \
-	applications/simpleBuilder
+	applications/staticProps \
+	applications/dynamicProps \
+        applications/simpleBuilder\
+	applications/nanoRodBuilder \
+	applications/atom2mdin
 
 Samples = \
 	samples/argon \
-	samples/water/dimer \
+        samples/water/dimer \
 	samples/water/spce \
 	samples/water/ssd \
 	samples/water/ssde \
+	samples/water/ssdrf \
+	samples/water/ssd-ion \
 	samples/water/tip3p_ice \
 	samples/water/tip4p \
 	samples/lipid \
 	samples/alkane \
 	samples/minimizer \
 	samples/metals \
+	samples/metals/EAM \
+	samples/metals/EAM/nanoparticle \
+	samples/metals/EAM/nanorod \
+	samples/metals/Sutton-Chen \
+	samples/thermoIntegration/liquid \
+	samples/thermoIntegration/solid \
+	samples/dipole \
+        samples/shape \
 	samples/zcons \
 
 IncludeDirs = \
-	@SPRNG_INC_DIR@ \
-	@MPI_INC_DIR@
+	@CGAL_INC_DIR@ \
+	@MPI_INC_DIR@ 
 
 LibraryDirs = \
-	@SPRNG_LIB_DIR@ \
+	@CGAL_LIB_DIR@ \
 	@MPI_LIB_DIR@ 
 
 Libraries = \
-	@SPRNG_LIB@ \
+	@LIBS@ \
+	@CGAL_LIBS@ \
 	@MPI_LIB@ \
-	@MPI_F90_LIB@
+	@MPI_F90_LIB@ 
 
 OopseHome       = @OOPSE_HOME@
 ForceParamDir   = $(OopseHome)/share/forceFields
@@ -113,6 +132,7 @@ BinDir            = $(DEV_ROOT)/bin
 ParallelTargetDir = $(DEV_ROOT)/MPIobj
 LibDir            = $(DEV_ROOT)/lib
 MakeDir           = $(DEV_ROOT)/make
+MainMakefile      = $(MakeDir)/Makefile
 BinDir            = $(DEV_ROOT)/bin
 DocsDir           = $(DEV_ROOT)/docs
 CurrentDir        = $(CURDIR)
@@ -124,7 +144,9 @@ Package          = $(subst $(shell cd $(SourceDir); pw
 # /home/maul/gezelter/src/code/src/UseTheForce/Darkside --> UseTheForce/Darkside
 #Package          = $(shell echo $(CurrentDir) | sed -e 's/^.*\/src\/\(.*\)/\1/g')
 #use shell script to get the absolute path and then rip it off from $(CurrentDir)
-Package          = $(subst $(shell cd $(SourceDir); pwd)/,,$(CurrentDir))
+#Package          = $(subst $(shell cd $(SourceDir); pwd)/,,$(CurrentDir))
+# REMINDER: We are now using the Package line in each subdir makefile.
+# This avoids the strange path problem and the subshell
 
 PackageList              = $(Package)
 PackageSourceDir         = $(SourceDir)/$(Package)
@@ -202,7 +224,71 @@ OtherTargetFiles       = $(OtherSourceFiles:%=$(Packag
 	                 $(LexFiles:%.l=     %.c)
 
 OtherTargetFiles       = $(OtherSourceFiles:%=$(PackageTargetDir)/%)
+
+###########################################################################
+#
+# Figure out the names of the module files based on some work done by
+# configure.  The tr function below is from John Graham-Cumming
+# (http://www.jgc.org). 
+#
+# The tr function.   Has three arguments:
+#
+# $1   The list of characters to translate from
+# $2   The list of characters to translate to
+# $3   The text to translate
+#
+# For example, $(call tr,A B C,1 2 3,CAPITAL) becomes 21PIT1L.
+
+tr = $(eval __t := $3)                                                    \
+     $(foreach c,                                                         \
+         $(join $(addsuffix :,$1),$2),                                    \
+         $(eval __t :=                                                    \
+             $(subst $(word 1,$(subst :, ,$c)),$(word 2,$(subst :, ,$c)), \
+                 $(__t))))$(__t)
+
+# Common character classes for use with the tr function.  Each of
+# these is actually a variable declaration and must be wrapped with
+# $() or ${} to be used.
+
+[A-Z] := A B C D E F G H I J K L M N O P Q R S T U V W X Y Z #
+[a-z] := a b c d e f g h i j k l m n o p q r s t u v w x y z #
+[0-9] := 0 1 2 3 4 5 6 7 8 9 #
+[A-F] := A B C D E F #
 
+# Figure out whether we have $(eval) or not (GNU Make 3.80 and above)
+# if we do not then we need to use the shell version of tr, and not the
+# faster tr function above:
+
+__have_eval := $(false)
+__ignore := $(eval __have_eval := $(true))
+
+ifndef __have_eval
+  uc = $(shell echo $1 | tr "a-z" "A-Z")
+  lc = $(shell echo $1 | tr "A-Z" "a-z")
+else
+  uc = $(call tr,$([a-z]),$([A-Z]),$1)
+  lc = $(call tr,$([A-Z]),$([a-z]),$1)
+endif
+
+# OK, now we can actually use these functions to figure out the names
+# of the module files:
+
+ifneq "$(words $(Modules))" "0"
+ifeq "$(ModuleCase)" "UPPER"
+  MODULES = $(call uc,$(Modules))
+else
+  ifeq "$(ModuleCase)" "lower"
+    MODULES = $(call lc,$(Modules))
+  else
+    MODULES = $(Modules)
+  endif
+endif
+  ModuleFiles = $(MODULES:%= $(PackageTargetDir)/%.$(ModSuffix))
+  ParallelModuleFiles = $(MODULES:%= $(PackageParallelTargetDir)/%.$(ModSuffix))
+endif
+#
+###########################################################################
+
 ThirdPartyJarsTmp = $(patsubst %,$(LibDir)/%,$(JavaLibraries))
 ThirdPartyJars    = $(subst $(Space),$(X),$(ThirdPartyJarsTmp))
 
@@ -214,9 +300,11 @@ ifneq  "$(words $(ObjectFiles) $(ParallelObjectFiles))
 #if Main is defined, do not build library. It may not be true sometimes
 ifneq  "$(words $(ObjectFiles) $(ParallelObjectFiles))" "0"
   DependencyFile    = $(PackageSourceDir)/Makedepend
-  ifneq "$(Main)" ""
+  ifneq "$(words $(Main))" "0"
     Executable             = $(BinDir)/$(Main)
-    ParallelExecutable     = $(BinDir)/$(Main)_MPI
+    ifeq "$(BuiltParallelExe)" "1"
+      ParallelExecutable     = $(BinDir)/$(Main)_MPI
+    endif
   else
     SharedLibrary          = $(LibDir)/lib$(subst /,,$(patsubst %,oopse_%,$(Package)))_UP.so
     StaticLibrary          = $(LibDir)/lib$(subst /,,$(patsubst %,oopse_%,$(Package)))_UP.a
@@ -246,17 +334,20 @@ Move                   = mv
 #
 #---------------------------------------------------------------------------
 Print                  = @echo
-Move                   = mv
+Move                   = mv -f
 Copy                   = cp
 CCompiler              = @CC@
 CppCompiler            = @CXX@
 Linker                 = @CXX@
 MakeDepend             = makedepend
+LN_S                   = @LN_S@
 INSTALL                = @INSTALL@
+EGREP                  = @EGREP@
 InstallProgram         = @INSTALL_PROGRAM@
+InstallScript          = @INSTALL_SCRIPT@
 InstallData            = @INSTALL_DATA@
-MkDir                = @MKINSTALLDIRS@
-Delete                 = rm -fr
+MkDir                  = @MKINSTALLDIRS@
+Delete                 = rm -f
 StaticArchiver         = @AR@
 DynamicArchiver        = @CC@
 FortranCompiler        = @FC@
@@ -286,8 +377,8 @@ CppOptions             = $(FrcDeclare) @CXXFLAGS@
 			 -sourcepath $(SourceDir)
 COptions               = $(FrcDeclare) @CFLAGS@
 CParallelOptions       = $(FrcDeclare) $(ParallelDeclare) @CFLAGS@
-CppOptions             = $(FrcDeclare) @CXXFLAGS@
-CppParallelOptions     = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@
+CppOptions             = $(FrcDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@
+CppParallelOptions     = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@
 FortranOptions         =
 F90Options             =  @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) 
 F90ParallelOptions     =  @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir)  @PREPDEFFLAG@$(ParallelDeclare)
@@ -335,6 +426,10 @@ endif
     InstallFiles             = $(Executable)
   endif 
   InstallCommand           = $(InstallProgram)
+  ifneq "$(words $(LinkTargets))" "0"
+    MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) 
+    MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets))
+  endif
 endif
 
 ifneq "$(words $(ForcefieldFiles))" "0"
@@ -365,90 +460,92 @@ $(PackageTargetDir) :
 
 # Create target directory
 $(PackageTargetDir) :
-	$(MakeDir) $@
+	$(MkDir) $@
 
+$(BinDir) :
+	$(MkDir) $@
+
 # .c -> .o
-$(PackageTargetDir)/%.o : %.c
+$(PackageTargetDir)/%.o : %.c $(MainMakefile)
 	$(Print) $@
 	$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@
 
-$(PackageParallelTargetDir)/%.o : %.c
+$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile)
 	$(Print) $@
 	$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@
 
 ifeq "$(UseMPI)" "yes"
-%.o : %.c
+%.o : %.c $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
 	$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@
 else
-%.o : %.c
+%.o : %.c $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
 endif
 
 # .cpp -> .o
-$(PackageTargetDir)/%.o : %.cpp
+$(PackageTargetDir)/%.o : %.cpp $(MainMakefile)
 	$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@
 
-$(PackageParallelTargetDir)/%.o : %.cpp
+$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile)
 	$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@
 
 ifeq "$(UseMPI)" "yes"
-%.o : %.cpp
+%.o : %.cpp $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
 	$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@
 else
-%.o : %.cpp
+%.o : %.cpp $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
 endif
 
 # .f -> .o
-$(PackageTargetDir)/%.o : %.f
+$(PackageTargetDir)/%.o : %.f $(MainMakefile)
 	$(FortranCompiler) $(FortranOptions) -c $< -o $@
 
-$(PackageParallelTargetDir)/%.o : %.f
+$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile)
 	$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@
 
 ifeq "$(UseMPI)" "yes"
-%.o : %.f
+%.o : %.f $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
 	$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@
 else
-%.o : %.f
+%.o : %.f $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
 endif
 
 # .F90 -> .o
-$(PackageTargetDir)/%.o : %.F90
+$(PackageTargetDir)/%.o : %.F90 $(MainMakefile)
 	$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@
-	if test -f *.$(ModSuffix); then \
-	  $(Move) *.$(ModSuffix) $(PackageTargetDir);\
+	if test -n "`ls *.$(ModSuffix)`"; then \
+	  $(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\
 	fi
 
-$(PackageParallelTargetDir)/%.o : %.F90
+$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile)
 	$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@
-	if test -f *.$(ModSuffix); then \
-	  $(Move) *.$(ModSuffix) $(PackageParallelTargetDir);\
+	if test -n "`ls *.$(ModSuffix)`"; then \
+	  $(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\
 	fi
 
 ifeq "$(UseMPI)" "yes"
-%.o : %.F90
+%.o : %.F90 $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
-	if test -f *.$(ModSuffix); then \
-	  $(Move) *.$(ModSuffix) $(PackageTargetDir);\
-	fi
+	if test -n "`ls *.$(ModSuffix)`"; then\
+          $(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\
+        fi
 
 	$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@
-	if test -f *.$(ModSuffix); then \
-	  $(Move) *.$(ModSuffix) $(PackageParallelTargetDir);\
+	if test -n "`ls *.$(ModSuffix)`"; then\
+	  $(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\
 	fi
 
 else
-%.o : %.F90
+%.o : %.F90 $(MainMakefile)
 	$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@
-	if test -f *.$(ModSuffix); then \
-	  $(Move) *.$(ModSuffix) $(PackageTargetDir);\
-	fi
-
+	if test -n "`ls *.$(ModSuffix)`"; then\
+          $(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\
+        fi
 endif
 
 
@@ -551,28 +648,33 @@ find_objs = $(shell $(StaticArchiver) -t $(1))
 	$(Doxygen) $(DEV_ROOT)/make/Doxyfile
 
 #GUN make funtions to merge the libraries
-find_objs = $(shell $(StaticArchiver) -t $(1))
+find_objs = $(shell $(StaticArchiver) -t $(1) | $(EGREP) -v "SYMDEF")
 extract_objs = $(shell $(StaticArchiver) -x $(1) $(call find_objs, $(1)))
 create_archive = $(shell  $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1)))
 remove_objs = $(shell $(Delete) $(call find_objs, $(1)))
 do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1))  
+do_link = $(shell $(LN_S) $(1) $(2))
+all_objs = $(foreach thisLib,$(LibNames), $(call find_objs, $(thisLib)))
+all_parallel_objs = $(foreach thisLib,$(ParallelLibNames), $(call find_objs, $(thisLib)))
+all_lib_objs = $(patsubst %,$(TargetDir)/%,$(call all_objs))
+all_lib_parallel_objs = $(patsubst %,$(ParallelTargetDir)/%,$(call all_parallel_objs))
 
 $(CombinedStaticLib) : $(LibDir)/.stamp_UP
-	$(Print) create $@     	
-	$(foreach thisLib,$(LibNames),$(call do_create,$(thisLib),$@))
+	$(Print) creating $@     	
+	$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_objs)
 	$(Ranlib) $(CombinedStaticLib)
 
 $(CombinedParallelStaticLib) : $(LibDir)/.stamp_MPI
-	$(Print) create $@
-	$(foreach thisLib,$(ParallelLibNames), $(call do_create, $(thisLib), $@))
+	$(Print) creating $@
+	$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_parallel_objs)
 	$(Ranlib) $(CombinedParallelStaticLib)
 
 # Executable
-$(Executable) : $(CombinedStaticLib) $(ObjectFiles)
-	$(Linker) $(ObjectFiles) $(LinkOptions) $(LibDirs) $(CombinedStaticLib) $(Libraries) -o $@
+$(Executable) : $(CombinedStaticLib) $(ObjectFiles) $(BinDir)
+	$(Linker) $(ObjectFiles) $(CombinedStaticLib) $(LinkOptions) $(LibDirs) $(Libraries) -o $@
 
-$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles)
-	$(Linker) $(ParallelObjectFiles) $(ParallelLinkOptions) $(LibDirs) $(CombinedParallelStaticLib) $(Libraries) -o $@
+$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) $(BinDir)
+	$(Linker) $(ParallelObjectFiles) $(CombinedParallelStaticLib) $(ParallelLinkOptions) $(LibDirs) $(Libraries) -o $@
 
 # Anything else is just copied from source to target
 $(PackageTargetDir)/% : $(PackageSourceDir)/%
@@ -615,31 +717,39 @@ endif
 	$(Executable) 
 endif
 
+echo : $(PackageListLoop)
+	$(Print) Done echo.
 
+_echoall :
+	$(Print) $(Modules)
+
 # make clean
 clean : $(PackageListLoop)
 	$(Print) Done clean.	
 
 _cleanall :
-	$(Delete) $(ObjectFiles) $(ParallelObjectFiles)
+	$(Delete) \
+		$(ObjectFiles) \
+		$(ModuleFiles) \
+		$(ParallelObjectFiles) \
+		$(ParallelModuleFiles) \
+		$(JarFile) \
+		$(SharedLibrary) \
+		$(StaticLibrary) \
+		$(ParallelSharedLibrary) \
+		$(ParallelStaticLibrary) \
+		$(CombinedStaticLib) \
+		$(CombinedParallelStaticLib)
 
 # make distclean
 distclean : $(PackageListLoop)
 	$(Print) Done clean.	
 
-_distcleanall :
-	$(Delete) $(ObjectFiles) \
-	          $(ParallelObjectFiles) \
-		        $(JarFile) \
-	          $(SharedLibrary) \
-	          $(StaticLibrary) \
-	          $(ParallelSharedLibrary) \
-	          $(ParallelStaticLibrary) \
-	          $(Executable) \
+_distcleanall : _cleanall
+	$(Delete) $(Executable) \
 	          $(ParallelExecutable) \
 	          $(DependencyFile) 
 
-
 # make depend
 depend : $(PackageListLoop)
 	$(Print) Done dependencies.
@@ -707,7 +817,7 @@ _installall : _buildall _installdata
 install : $(InstallListLoop)
 	$(Print) Done Install
 
-_installall : _buildall _installdata
+_installall : _buildall _installdata _installlinks
 
 $(MyInstallDir) : 
 	$(MkDir) $@
@@ -715,9 +825,15 @@ ifneq "$(words $(InstallFiles))" "0"
 _installdata :  $(MyInstallDir)
 	$(Print) $(InstallFiles) 
 ifneq "$(words $(InstallFiles))" "0"
-	$(InstallData) $(InstallFiles) $(MyInstallDir)
+	$(InstallCommand) $(InstallFiles) $(MyInstallDir)
 endif	    
-	
+
+_installlinks :  $(MyInstallDir)
+ifneq "$(words $(MyLinkTargets))" "0"
+	@cd $(MyInstallDir)
+	$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink)))
+endif	    
+
 # make statistics
 _statisticsall :
 	@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp
@@ -728,15 +844,15 @@ $(Executable).pure :
 	$(Print) Done statistics.
 
 # make pure
-$(Executable).pure :
-	$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \
-	$(LibList) $(ObjectFiles) -o $@
+#$(Executable).pure :
+#	$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \
+#	$(LibList) $(ObjectFiles) -o $@
+#
+#pure : $(Executable).pure
 
-pure : $(Executable).pure
-
 #make cvslog
 cvslog:
-	$(DEV_ROOT)/scripts/cvs2cl.pl
+	$(DEV_ROOT)/scripts/cvs2cl
 
 # Execute
 _runexe :