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##################################################### |
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# Makefile for libmdtools (bundled with OOPSE) # |
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# Makefile for SHAPES # |
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##################################################### |
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# You should not change anything here. # |
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##################################################### |
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# Path prefix for installation links |
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PREFIX=/usr/local |
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# List of subdirectories |
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SUBDIRS=libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party shapes |
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# Location of the oopse home |
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OOPSE_HOME=/usr/local/oopse |
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SHAPES_HOME=/usr/local/shapes |
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VDW_PARAM_DIR=/usr/local/shapes/share/vdwFiles |
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FORCE_PARAM_DIR=/usr/local/oopse/share/forceFields/ |
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SAMPLE_SIM_DIR=/usr/local/oopse/share/samples/ |
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# SPRNG library path |
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SPRNG_LIBDIR=/usr/local/lib |
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# SPRNG library |
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SPRNG_LIB=-lsprng |
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# SPRNG include path |
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SPRNG_INC=-I/usr/local/include/sprng |
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# MPICH library path |
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MPI_LIBDIR=/usr/local/mpich/lib |
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# MPICH library |
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MPI_LIB=-lmpich |
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# MPICH include path |
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MPI_INC=/usr/local/mpich/include |
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# MODDIRFLAG |
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MODDIRFLAG=-I |
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# Location of yacc (or its substitution) |
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YACC=bison -y |
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#location of lex |
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LEX=flex |
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# C compiler |
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CC=icc8 |
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# C++ compiler |
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CXX=icpc8 |
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# ar |
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LN_S=ln -s |
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# BSD install |
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INSTALL=/usr/bin/install -c |
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INSTALL_PROGRAM=${INSTALL} |
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INSTALL_DATA=${INSTALL} -m 644 |
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MKINSTALLDIRS=/home/maul/gezelter/gezelter/OOPSE/ac-tools/shtool mkdir -p -f |
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INSTALL=@INSTALL@ |
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INSTALL_PROGRAM=@INSTALL_PROGRAM@ |
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INSTALL_DATA=@INSTALL_DATA@ |
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MKINSTALLDIRS=@MKINSTALLDIRS@ |
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# CPP flags |
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CPPFLAGS= |
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# C flags |
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CFLAGS_C=-O3 |
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CFLAGS_C= |
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# C++ flags |
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CXXFLAGS_C=-O3 |
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CXXFLAGS_C= |
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# C++ template flags |
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OOPSE_TEMPLATE_FLAGS= |
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# C++ namespace flags |
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EXTRA_CC_FLAG= |
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# Preprocessor flag for fortran |
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PREPFLAG= |
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# Preprocessor define flag for fortran |
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PREPDEFFLAG= |
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# LDFLAGS |
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LDFLAGS= -L/usr/local/mpich/lib |
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LDFLAGS= |
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# First do compile-time flags: |
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DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)" |
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MPI_DECLARE=-DIS_MPI |
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DECLARE=-DVDW_PATH="$(VDW_PARAM_DIR)" |
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# include paths starting with "." are all relative to the SUBDIRS!!! |
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INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) |
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MPI_INCLUDES= -I$(MPI_INC) |
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INCLUDES= -I.. |
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CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) |
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CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
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DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES) |
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CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) |
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CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) |
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DEPFLAGS=$(CFLAGS_C) -I. |
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MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
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MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
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SRC_DIR := .. |
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FORCER=forcer$(EXE) |
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obj/%.o: %.cpp |
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cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
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MPIobj/%.o: %.cpp |
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cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
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obj/%.o: %.c |
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cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
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MPIobj/%.o: %.c |
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cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
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# Then list what we have to compile |
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# |
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C_FILES = \ |
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$(DIR)/forcerCmd.c |
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$(DIR)/forcerCmd.c \ |
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$(DIR)/MatVec3.c |
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CXX_FILES = \ |
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$(DIR)/forcer.cpp \ |
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$(DIR)/PDBReader.cpp \ |
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$(DIR)/RigidBody.cpp \ |
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$(DIR)/VDWAtom.cpp |
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VDW_FILES= \ |
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amber99.vdw \ |
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charmm27.vdw \ |
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gaff.vdw \ |
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LJ.vdw \ |
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oplsaal.vdw |
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DIR:=. |
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C_SRCS := $(C_FILES) |
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CXX_SRCS := $(CXX_FILES) |
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CXX_OBJS := $(CXX_FILES:.cpp=.o) |
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OBJS := $(C_OBJS) $(CXX_OBJS) |
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DIR:=MPIobj |
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C_MPIOBJS := $(C_FILES:.c=.o) |
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CXX_MPIOBJS := $(CXX_FILES:.cpp=.o) |
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MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) |
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SUBDIRS = obj |
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SUBDIRS = obj \ |
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MPIobj |
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# Possible make targets: |
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all: forcer |
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$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD) |
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install : $(FORCER) |
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$(MKINSTALLDIRS) $(OOPSE_HOME)/bin |
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$(INSTALL_PROGRAM) -s $(FORCER) $(OOPSE_HOME)/bin/$(FORCER) |
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$(MKINSTALLDIRS) $(SHAPES_HOME)/bin |
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$(INSTALL_PROGRAM) -s $(FORCER) $(SHAPES_HOME)/bin/$(FORCER) |
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$(MKINSTALLDIRS) $(VDW_PARAM_DIR) |
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for i in $(VDW_FILES); do \ |
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echo "Installing $$i in $(VDW_PARAM_DIR)\n"; \ |
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$(INSTALL_DATA) $$i $(VDW_PARAM_DIR)/$$i; \ |
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done |
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.PHONY : clean |
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clean : dummy |
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for i in $(LIBSUBDIRS); do \ |
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for i in $(SUBDIRS); do \ |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
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done |
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$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp |
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$(RM) forcer *.o *.mod *~ Make.temp |
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distclean : dummy |
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for i in $(LIBSUBDIRS); do \ |
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for i in $(SUBDIRS); do \ |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
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done |
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$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp |
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$(RM) forcer *.o *.mod *~ Make.temp |
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depend : Make.dep |
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$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \ |
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| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp |
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cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
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cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
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# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
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# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
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# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
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$(RM) Make.ftemp Make.temp |
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$(RM) Make.temp |
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install : dummy |
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