--- trunk/SHAPES/Makefile	2004/06/04 16:11:27	1240
+++ trunk/SHAPES/Makefile	2004/06/15 20:24:51	1273
@@ -1,5 +1,5 @@
 #####################################################
-# Makefile for libmdtools (bundled with OOPSE)      #
+# Makefile for SHAPES                               #
 #####################################################
 # You should not change anything here.              #
 #####################################################
@@ -19,47 +19,14 @@ PREFIX=/usr/local
 # Path prefix for installation links
 PREFIX=/usr/local
 
-# List of subdirectories
-SUBDIRS=libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party shapes
-
 # Location of the oopse home
-OOPSE_HOME=/usr/local/oopse
+SHAPES_HOME=/usr/local/shapes
+VDW_PARAM_DIR=/usr/local/shapes/share/vdwFiles
 
-FORCE_PARAM_DIR=/usr/local/oopse/share/forceFields/
-SAMPLE_SIM_DIR=/usr/local/oopse/share/samples/
-
-# SPRNG library path
-SPRNG_LIBDIR=/usr/local/lib
-
-# SPRNG library
-SPRNG_LIB=-lsprng
-
-# SPRNG include path
-SPRNG_INC=-I/usr/local/include/sprng
-
-# MPICH library path
-MPI_LIBDIR=/usr/local/mpich/lib
-
-# MPICH library
-MPI_LIB=-lmpich
-
-# MPICH include path
-MPI_INC=/usr/local/mpich/include
-
-# MODDIRFLAG
-MODDIRFLAG=-I
-
-# Location of yacc (or its substitution)
-YACC=bison -y
-
-#location of lex
-LEX=flex
-
 # C compiler
 CC=icc8
 
 # C++ compiler
-
 CXX=icpc8
 
 # ar
@@ -75,52 +42,35 @@ INSTALL=/usr/bin/install -c
 LN_S=ln -s
 
 # BSD install
-INSTALL=/usr/bin/install -c
-INSTALL_PROGRAM=${INSTALL}
-INSTALL_DATA=${INSTALL} -m 644
-MKINSTALLDIRS=/home/maul/gezelter/gezelter/OOPSE/ac-tools/shtool mkdir -p -f
+INSTALL=@INSTALL@
+INSTALL_PROGRAM=@INSTALL_PROGRAM@
+INSTALL_DATA=@INSTALL_DATA@
+MKINSTALLDIRS=@MKINSTALLDIRS@
 
 # CPP flags
 CPPFLAGS=
 
 # C flags
-CFLAGS_C=-O3
+CFLAGS_C=
 
 # C++ flags
-CXXFLAGS_C=-O3
+CXXFLAGS_C=
 
-# C++ template flags
-OOPSE_TEMPLATE_FLAGS=
-
-# C++ namespace flags
-EXTRA_CC_FLAG=
-
-# Preprocessor flag for fortran
-PREPFLAG=
-
-# Preprocessor define flag for fortran
-PREPDEFFLAG= 
-
 # LDFLAGS
-LDFLAGS= -L/usr/local/mpich/lib 
+LDFLAGS=
 
 # First do compile-time flags:
 
-DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)"
-MPI_DECLARE=-DIS_MPI
+DECLARE=-DVDW_PATH="$(VDW_PARAM_DIR)"
 
 # include paths starting with "." are all relative to the SUBDIRS!!!
 
-INCLUDES= -I.. -I../../libBASS $(SPRNG_INC)
-MPI_INCLUDES= -I$(MPI_INC)
+INCLUDES= -I..
 
-CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP)
-CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP)
-DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES)
+CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE)
+CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE)
+DEPFLAGS=$(CFLAGS_C) -I. 
 
-MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
-MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE)
-
 SRC_DIR := ..
 
 FORCER=forcer$(EXE)
@@ -131,25 +81,28 @@ MPIobj/%.o: %.cpp
 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)/forcerCmd.c
+	$(DIR)/forcerCmd.c \
+	$(DIR)/MatVec3.c
 
 CXX_FILES = \
 	$(DIR)/forcer.cpp \
 	$(DIR)/PDBReader.cpp \
+	$(DIR)/RigidBody.cpp \
 	$(DIR)/VDWAtom.cpp
 
+VDW_FILES= \
+	amber99.vdw \
+	charmm27.vdw \
+	gaff.vdw \
+	LJ.vdw \
+	oplsaal.vdw 
+
 DIR:=.
 C_SRCS   :=     $(C_FILES)
 CXX_SRCS :=	$(CXX_FILES)
@@ -160,14 +113,8 @@ DIR:=MPIobj
 CXX_OBJS :=	$(CXX_FILES:.cpp=.o)
 OBJS     :=     $(C_OBJS) $(CXX_OBJS)
 
-DIR:=MPIobj
-C_MPIOBJS   :=  $(C_FILES:.c=.o)
-CXX_MPIOBJS :=	$(CXX_FILES:.cpp=.o)
-MPIOBJS     :=  $(C_MPIOBJS) $(CXX_MPIOBJS)
+SUBDIRS = obj
 
-SUBDIRS = obj \
-	MPIobj
-
 # Possible make targets:
 
 all: forcer
@@ -176,23 +123,28 @@ install : $(FORCER)
 	$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD)
                                                                                                                                                             
 install : $(FORCER)
-	$(MKINSTALLDIRS) $(OOPSE_HOME)/bin
-	$(INSTALL_PROGRAM) -s $(FORCER) $(OOPSE_HOME)/bin/$(FORCER)
+	$(MKINSTALLDIRS) $(SHAPES_HOME)/bin
+	$(INSTALL_PROGRAM) -s $(FORCER) $(SHAPES_HOME)/bin/$(FORCER)
+	$(MKINSTALLDIRS) $(VDW_PARAM_DIR)
+	for i in $(VDW_FILES); do \
+	  echo "Installing $$i in $(VDW_PARAM_DIR)\n"; \
+	  $(INSTALL_DATA) $$i $(VDW_PARAM_DIR)/$$i; \
+	done
 
 
 .PHONY : clean
 
 clean : dummy
-	for i in $(LIBSUBDIRS); do \
+	for i in $(SUBDIRS); do \
 	  (cd $$i; $(RM) *.o *.mod) || exit 1; \
 	done
-	$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp
+	$(RM) forcer *.o *.mod *~ Make.temp
 
 distclean : dummy
-	for i in $(LIBSUBDIRS); do \
+	for i in $(SUBDIRS); do \
 	  (cd $$i; $(RM) *.o *.mod) || exit 1; \
 	done
-	$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp
+	$(RM) forcer *.o *.mod *~ Make.temp
 
 depend : Make.dep
 
@@ -204,11 +156,7 @@ Make.dep :
 	$(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
+	$(RM) Make.temp
 
 install : dummy