mirror of
https://github.com/Discngine/fpocket.git
synced 2026-06-04 11:54:21 +08:00
212 lines
8.3 KiB
Makefile
212 lines
8.3 KiB
Makefile
#------------------------------------------------------------
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# Makefile.
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#------------------------------------------------------------
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#ARCH = MACOSXX86_64
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ARCH = LINUXAMD64
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export ARCH
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PLUGINDIR = plugins
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PATH_OBJ = obj/
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PATH_SRC = src/
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PATH_HEADER = headers/
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PATH_BIN = bin/
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PATH_MAN = man/
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PATH_QHULL = src/qhull/src
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PATH_LIB = $(PLUGINDIR)/$(ARCH)/molfile/
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BINDIR = /usr/local/bin/
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LIBDIR = /usr/local/lib/
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MANDIR = /usr/local/man/man8/
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FPOCKET = fpocket
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TPOCKET = tpocket
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DPOCKET = dpocket
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MDPOCKET = mdpocket
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CHECK = pcheck
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PROGFPOCKET = $(PATH_BIN)$(FPOCKET) $(PATH_BIN)$(TPOCKET) $(PATH_BIN)$(DPOCKET)
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PROGALL = $(PATH_BIN)$(FPOCKET) $(PATH_BIN)$(TPOCKET) $(PATH_BIN)$(DPOCKET) $(PATH_BIN)$(MDPOCKET)
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PROGMDPOCKET = $(PATH_BIN)$(MDPOCKET)
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ifeq ($(CXX),g++)
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CC = gcc
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CCQHULL = gcc
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LINKER = LD_LIBRARY_PATH=$(PLUGINDIR)/$(ARCH)/molfile gcc
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LINKERQHULL = gcc
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else
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CCQHULL = clang
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CC = clang
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LINKER = LD_LIBRARY_PATH=$(PLUGINDIR)/$(ARCH)/molfile clang
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LINKERQHULL = clang
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endif
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CGSL = -DMD_NOT_USE_GSL -I$(PATH_GSL)include
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COS = -DM_OS_LINUX
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CDEBUG = -DMNO_MEM_DEBUG
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CWARN = -W -Wextra -Wwrite-strings -Wstrict-prototypes
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CFLAGS = $(CWARN) $(COS) $(CDEBUG) -O2 -g -pg -std=gnu99 -I$(PLUGINDIR)/include -I$(PLUGINDIR)/$(ARCH)/molfile
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QCFLAGS = -O -g -pg -ansi
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LGSL = -L$(PATH_GSL)lib -lgsl -lgslcblas
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LFLAGS = -lm -L$(PLUGINDIR)/$(ARCH)/molfile $(PLUGINDIR)/$(ARCH)/molfile/libmolfile_plugin.a -lstdc++
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NETCDFFLAGS =
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#-lnetcdf
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#
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#------------------------------------------------------------
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# BINARIES OBJECTS
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#------------------------------------------------------------
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#QOBJS = $(PATH_QHULL)/src/qvoronoi/qvoronoi.o $(PATH_QHULL)/src/qconvex/qconvex.o
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QOBJS = $(PATH_QHULL)/libqhull/geom2.o $(PATH_QHULL)/libqhull/geom.o $(PATH_QHULL)/libqhull/global.o \
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$(PATH_QHULL)/libqhull/io.o $(PATH_QHULL)/libqhull/libqhull.o \
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$(PATH_QHULL)/libqhull/mem.o $(PATH_QHULL)/libqhull/merge.o $(PATH_QHULL)/libqhull/poly2.o \
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$(PATH_QHULL)/libqhull/poly.o $(PATH_QHULL)/libqhull/qset.o \
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$(PATH_QHULL)/libqhull/random.o $(PATH_QHULL)/libqhull/rboxlib.o \
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$(PATH_QHULL)/libqhull/stat.o $(PATH_QHULL)/libqhull/user.o \
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$(PATH_QHULL)/libqhull/usermem.o \
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$(PATH_QHULL)/libqhull/userprintf.o $(PATH_QHULL)/libqhull/userprintf_rbox.o $(PATH_QHULL)/qvoronoi/qvoronoi.o $(PATH_QHULL)/qconvex/qconvex.o
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# QOBJS = $(PATH_QHULL)/libqhull/geom2.o $(PATH_QHULL)/libqhull/geom.o $(PATH_QHULL)/libqhull/global.o \
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# $(PATH_QHULL)/libqhull/io.o $(PATH_QHULL)/libqhull/io.h $(PATH_QHULL)/libqhull/libqhull.o \
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# $(PATH_QHULL)/libqhull/mem.o $(PATH_QHULL)/libqhull/merge.o $(PATH_QHULL)/libqhull/poly2.o \
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# $(PATH_QHULL)/libqhull/poly.o $(PATH_QHULL)/libqhull/qset.o \
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# $(PATH_QHULL)/libqhull/random.o $(PATH_QHULL)/libqhull/rboxlib.o \
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# $(PATH_QHULL)/libqhull/stat.o $(PATH_QHULL)/libqhull/user.o \
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# $(PATH_QHULL)/libqhull/usermem.o \
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# $(PATH_QHULL)/libqhull/userprintf.o $(PATH_QHULL)/libqhull/userprintf_rbox.o $(PATH_QHULL)/qvoronoi/qvoronoi.o $(PATH_QHULL)/qconvex/qconvex.o
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CHOBJ = $(PATH_OBJ)check.o $(PATH_OBJ)psorting.o $(PATH_OBJ)pscoring.o \
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$(PATH_OBJ)utils.o $(PATH_OBJ)pertable.o $(PATH_OBJ)memhandler.o \
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$(PATH_OBJ)voronoi.o $(PATH_OBJ)sort.o $(PATH_OBJ)calc.o \
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$(PATH_OBJ)writepdb.o $(PATH_OBJ)rpdb.o $(PATH_OBJ)tparams.o \
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$(PATH_OBJ)fparams.o $(PATH_OBJ)pocket.o $(PATH_OBJ)refine.o \
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$(PATH_OBJ)descriptors.o $(PATH_OBJ)aa.o \
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$(PATH_OBJ)fpocket.o $(PATH_OBJ)write_visu.o $(PATH_OBJ)fpout.o \
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$(PATH_OBJ)atom.o $(PATH_OBJ)writepocket.o $(PATH_OBJ)voronoi_lst.o \
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$(PATH_OBJ)neighbor.o $(PATH_OBJ)asa.o $(PATH_OBJ)clusterlib.o $(PATH_OBJ)energy.o $(PATH_OBJ)read_mmcif.o \
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FPOBJ = $(PATH_OBJ)fpmain.o $(PATH_OBJ)psorting.o $(PATH_OBJ)pscoring.o \
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$(PATH_OBJ)utils.o $(PATH_OBJ)pertable.o $(PATH_OBJ)memhandler.o \
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$(PATH_OBJ)voronoi.o $(PATH_OBJ)sort.o $(PATH_OBJ)calc.o \
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$(PATH_OBJ)writepdb.o $(PATH_OBJ)rpdb.o $(PATH_OBJ)tparams.o \
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$(PATH_OBJ)fparams.o $(PATH_OBJ)pocket.o $(PATH_OBJ)refine.o \
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$(PATH_OBJ)descriptors.o $(PATH_OBJ)aa.o \
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$(PATH_OBJ)fpocket.o $(PATH_OBJ)write_visu.o $(PATH_OBJ)fpout.o \
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$(PATH_OBJ)atom.o $(PATH_OBJ)writepocket.o $(PATH_OBJ)voronoi_lst.o $(PATH_OBJ)asa.o \
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$(PATH_OBJ)clusterlib.o $(PATH_OBJ)energy.o $(PATH_OBJ)topology.o $(PATH_OBJ)read_mmcif.o \
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$(QOBJS)
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TPOBJ = $(PATH_OBJ)tpmain.o $(PATH_OBJ)psorting.o $(PATH_OBJ)pscoring.o \
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$(PATH_OBJ)utils.o $(PATH_OBJ)pertable.o $(PATH_OBJ)memhandler.o \
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$(PATH_OBJ)voronoi.o $(PATH_OBJ)sort.o $(PATH_OBJ)calc.o \
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$(PATH_OBJ)writepdb.o $(PATH_OBJ)rpdb.o $(PATH_OBJ)tparams.o \
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$(PATH_OBJ)fparams.o $(PATH_OBJ)pocket.o $(PATH_OBJ)refine.o \
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$(PATH_OBJ)tpocket.o $(PATH_OBJ)descriptors.o \
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$(PATH_OBJ)aa.o $(PATH_OBJ)fpocket.o $(PATH_OBJ)write_visu.o \
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$(PATH_OBJ)fpout.o $(PATH_OBJ)atom.o $(PATH_OBJ)writepocket.o \
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$(PATH_OBJ)voronoi_lst.o $(PATH_OBJ)neighbor.o $(PATH_OBJ)asa.o\
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$(PATH_OBJ)clusterlib.o $(PATH_OBJ)energy.o $(PATH_OBJ)topology.o $(PATH_OBJ)read_mmcif.o\
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$(PATH_QHULL)/qvoronoi/qvoronoi.o $(PATH_QHULL)/qconvex/qconvex.o
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DPOBJ = $(PATH_OBJ)dpmain.o $(PATH_OBJ)psorting.o $(PATH_OBJ)pscoring.o \
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$(PATH_OBJ)dpocket.o $(PATH_OBJ)dparams.o $(PATH_OBJ)voronoi.o \
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$(PATH_OBJ)sort.o $(PATH_OBJ)rpdb.o $(PATH_OBJ)descriptors.o \
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$(PATH_OBJ)neighbor.o $(PATH_OBJ)atom.o $(PATH_OBJ)aa.o \
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$(PATH_OBJ)pertable.o $(PATH_OBJ)calc.o $(PATH_OBJ)utils.o \
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$(PATH_OBJ)writepdb.o $(PATH_OBJ)memhandler.o $(PATH_OBJ)pocket.o \
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$(PATH_OBJ)refine.o $(PATH_OBJ)fparams.o \
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$(PATH_OBJ)fpocket.o $(PATH_OBJ)fpout.o $(PATH_OBJ)writepocket.o \
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$(PATH_OBJ)write_visu.o $(PATH_OBJ)asa.o $(PATH_OBJ)read_mmcif.o\
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$(PATH_OBJ)voronoi_lst.o $(PATH_OBJ)clusterlib.o $(QOBJS) $(PATH_OBJ)energy.o \
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$(PATH_OBJ)topology.o
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MDPOBJ = $(PATH_OBJ)mdpmain.o $(PATH_OBJ)mdpocket.o $(PATH_OBJ)mdpbase.o $(PATH_OBJ)mdpout.o $(PATH_OBJ)psorting.o $(PATH_OBJ)pscoring.o \
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$(PATH_OBJ)mdparams.o $(PATH_OBJ)voronoi.o \
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$(PATH_OBJ)sort.o $(PATH_OBJ)rpdb.o $(PATH_OBJ)descriptors.o \
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$(PATH_OBJ)neighbor.o $(PATH_OBJ)atom.o $(PATH_OBJ)aa.o \
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$(PATH_OBJ)pertable.o $(PATH_OBJ)calc.o $(PATH_OBJ)utils.o \
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$(PATH_OBJ)writepdb.o $(PATH_OBJ)memhandler.o $(PATH_OBJ)pocket.o \
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$(PATH_OBJ)refine.o $(PATH_OBJ)fparams.o \
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$(PATH_OBJ)fpocket.o $(PATH_OBJ)fpout.o \
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$(PATH_OBJ)writepocket.o $(PATH_OBJ)write_visu.o $(PATH_OBJ)asa.o $(PATH_OBJ)read_mmcif.o\
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$(PATH_OBJ)voronoi_lst.o $(PATH_OBJ)clusterlib.o $(QOBJS) $(PATH_OBJ)energy.o $(PATH_OBJ)topology.o
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#------------------------------------------------------------
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# GENERAL RULES FOR COMPILATION
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#------------------------------------------------------------
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$(PATH_QHULL)%.o: $(PATH_QHULL)%.c
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$(CCQHULL) $(QCFLAGS) -c $< -o $@
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$(PATH_OBJ)%.o: $(PATH_SRC)%.c
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$(CC) $(CFLAGS) -c $< -o $@
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$(PATH_OBJ)%.o: $(PATH_SRC)%.cpp
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$(CC) $(CFLAGS) -c $< -o $@
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#-----------------------------------------------------------
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# RULES FOR EXECUTABLES
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#-----------------------------------------------------------
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all: qhull $(PROGALL)
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fpocket: qhull $(PROGFPOCKET) # $(PATH_BIN)$(CHECK)
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mdpocket: qhull $(PROGMDPOCKET)
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qhull:
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cd src/qhull/ && make
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$(PATH_BIN)$(CHECK): $(CHOBJ) $(QOBJS)
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$(LINKER) $^ -o $@ $(LFLAGS)
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$(PATH_BIN)$(FPOCKET): $(FPOBJ) $(QOBJS)
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$(LINKER) $^ -o $@ $(LFLAGS)
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$(PATH_BIN)$(TPOCKET): $(TPOBJ) $(QOBJS)
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$(LINKER) $^ -o $@ $(LFLAGS)
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$(PATH_BIN)$(DPOCKET): $(DPOBJ) $(QOBJS)
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$(LINKER) $^ -o $@ $(LFLAGS)
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$(PATH_BIN)$(MDPOCKET): $(MDPOBJ) $(QOBJS)
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$(LINKER) $^ -o $@ $(LFLAGS) $(NETCDFFLAGS)
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install:
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mkdir -p $(BINDIR)
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mkdir -p $(MANDIR)
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cp $(PATH_BIN)$(FPOCKET) $(BINDIR)
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cp $(PATH_BIN)$(TPOCKET) $(BINDIR)
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cp $(PATH_BIN)$(DPOCKET) $(BINDIR)
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cp $(PATH_BIN)$(MDPOCKET) $(BINDIR)
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cp $(PATH_MAN)* $(MANDIR)
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cp $(PATH_LIB)* $(LIBDIR)
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check:
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./$(PATH_BIN)$(CHECK)
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test:
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./$(PATH_BIN)$(CHECK)
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clean:
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rm -f $(PATH_QHULL)*.o
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rm -f $(PATH_OBJ)*.o
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rm -f $(PATH_BIN)$(FPOCKET)
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rm -f $(PATH_BIN)$(TPOCKET)
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rm -f $(PATH_BIN)$(DPOCKET)
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rm -f $(PATH_BIN)$(MDPOCKET)
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cd src/qhull && make clean && rm lib/libqhull*.a
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uninstall:
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rm -f $(PATH_BIN)$(FPOCKET) $(BINDIR)$(FPOCKET)
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rm -f $(PATH_BIN)$(TPOCKET) $(BINDIR)$(TPOCKET)
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rm -f $(PATH_BIN)$(DPOCKET) $(BINDIR)$(DPOCKET)
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rm -f $(PATH_BIN)$(MDPOCKET) $(BINDIR)$(MDPOCKET)
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rm -f $(MANDIR)fpocket.8 $(MANDIR)tpocket.8 $(MANDIR)dpocket.8
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