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## Makefile to build AutoDock from Object files.## NOTE: Must be run in the $(AUTODOCK_DEV) directory.## Copyright (C) 1994-1999, Garrett Matthew Morris, TSRI.### Edit this Makefile to reflect your machine architecture.## Specifically, change these variables:# LIB, CSTD, CFLAGS, OPT, OLIMIT, LINT, LINTFLAGS, LINK, WARN, & CC.## If you need to use debugging or profiling, these should also be # modified appropriately:# DBUG & PROF### Edit the line defining "EXE" to your binaries directory for # your machine architecture.## Define the destination directory for the executables:#EXE = . # Default destination## Define the object files:#OBJS = \ analysis.o \ banner.o \ bestpdb.o \ call_glss.o \ call_gs.o \ call_ls.o \ changeState.o \ check_header_float.o \ check_header_int.o \ check_header_line.o \ cluster_analysis.o \ clmode.o \ cmdmode.o \ cnv_state_to_coords.o \ com.o \ stateLibrary.o \ readfield.o \ readmap.o \ readPDBQ.o \ dpftypes.o \ eval.o \ evaluate_energy.o \ gencau.o \ getrms.o \ get_atom_type.o \ getInitialState.o \ getpdbcrds.o \ gs.o \ initautodock.o \ input_state.o \ investigate.o \ linpack.o \ ls.o \ mapping.o \ minmeanmax.o \ mkNewState.o \ mkTorTree.o \ mkRandomState.o \ nonbonds.o \ openfile.o \ output_state.o \ parse_com_line.o \ parse_dpf_line.o \ parse_pdbq_line.o \ parse_trj_line.o \ print_2x.o \ print_atomic_energies.o \ print_avsfld.o \ writeMolAsPDBQ.o \ writePDBQ.o \ writePDBQState.o \ print_rem.o \ printdate.o \ printEnergies.o \ printhms.o \ prClusterHist.o \ prInitialState.o \ prTorConList.o \ qmultiply.o \ qtransform.o \ quicksort.o \ ranlib.o \ rep.o \ scauchy.o \ set_cmd_io_std.o \ setflags.o \ simanneal.o \ sort_enrg.o \ stop.o \ strindex.o \ success.o \ summarizegrids.o \ support.o \ swap.o \ timesys.o \ timesyshms.o \ torNorVec.o \ torsion.o \ usage.o \ weedbonds.o \ warn_bad_file.oOBJNOSQRT = \ eintcal.o \ eintcalPrint.o \ intnbtable.o \ nbe.oOBJSQRT = \ eintcal.sqrt.o \ eintcalPrint.sqrt.o \ intnbtable.sqrt.o \ nbe.sqrt.oOBJNOMINPT = \ trilinterp.oOBJMINPT = \ trilinterp.MINPT.oADLIB = libad.aARFLAGS = r# Define lint files:LNS = \ analysis.ln \ banner.ln \ bestpdb.ln \ changeState.ln \ check_header_float.ln \ check_header_int.ln \ check_header_line.ln \ cluster_analysis.ln \ clmode.ln \ cmdmode.ln \ cnv_state_to_coords.ln \ stateLibrary.ln \ readfield.ln \ readmap.ln \ readPDBQ.ln \ dpftypes.ln \ evaluate_energy.ln \ getrms.ln \ get_atom_type.ln \ getInitialState.ln \ getpdbcrds.ln \ initautodock.ln \ input_state.ln \ investigate.ln \ main.ln \ mkNewState.ln \ mkTorTree.ln \ mkRandomState.o \ nonbonds.ln \ openfile.ln \ output_state.ln \ parse_com_line.ln \ parse_dpf_line.ln \ parse_pdbq_line.ln \ parse_trj_line.ln \ print_2x.ln \ print_atomic_energies.ln \ print_avsfld.ln \ writeMolAsPDBQ.ln \ writePDBQ.ln \ writePDBQState.ln \ print_rem.ln \ printdate.ln \ printEnergies.ln \ printhms.ln \ prClusterHist.ln \ prInitialState.ln \ prTorConList.ln \ qmultiply.ln \ qtransform.ln \ quicksort.ln \ set_cmd_io_std.ln \ setflags.ln \ simanneal.ln \ sort_enrg.ln \ stop.ln \ strindex.ln \ success.ln \ summarizegrids.ln \ swap.ln \ timesys.ln \ timesyshms.ln \ torNorVec.ln \ torsion.ln \ trilinterp.ln \ usage.ln \ weedbonds.ln \ warn_bad_file.lnLNSNOSQRT = \ eintcal.ln \ eintcalPrint.ln \ intnbtable.ln \ nbe.lnLNSSQRT = \ eintcal.sqrt.ln \ eintcalPrint.sqrt.ln \ intnbtable.sqrt.ln \ nbe.sqrt.ln## Abbreviations of machine architectures:## SGI = Silicon Graphics Inc., sgi4D.# Alpha = Compaq/Digital Equipment Corp., Alpha.# Sun = Sun Microsystems, sun4.# HP = Hewlett Packard Precision Architecture, hppa.# Convex = Convex, c2.### C++ compiler## AutoDock 3.0 Makefile GNU Linux -- STARTCC = mpiCCLIB = -lmCSTD = -DHPPA $(PROF) $(DBUG) $(WARN)CFLAGS = $(OPT)OPTLEVEL = -g -O3OPT = $(CSTD) $(OPTLEVEL)OLIMIT = $(OPT)LINKOPT = $(OPT)LINK = $(LINKOPT)LINT = lintLINTFLAGS = -DHPPA $(LIB) -cDBUG = -DNDEBUG # No debugging and no assert codePROF = # No profilingWARN = # Default warning level# AutoDock 3.0 Makefile GNU Linux -- ENDautodock3 : main.o $(ADLIB) echo $(EXE)' on '`date`', using '`hostname` >> LATEST_MAKE echo 'Flags: '$(CC) $(LINK) -DNOSQRT -L. -lad $(LIB) >> LATEST_MAKE $(CC) $(LINK) -DNOSQRT -o $@ main.o -L. -lad $(LIB)autodock3sqrt : main.o $(ADLIB) $(CC) $(OPT) $(CFLAGS) -o $@ main.o -L. -lad $(LIB)autodock3minpt : main.o $(ADLIB) echo $(EXE)' on '`date`', using '`hostname` >> LATEST_MAKE $(CC) $(OPT) -DNOSQRT -o $@ main.o -L. -lad $(LIB)autodock3alt : $(OBJS) $(OBJNOSQRT) $(OBJNOMINPT) echo $(EXE)' on '`date`', using '`hostname` >> LATEST_MAKE $(CC) $(LINK) -DNOSQRT -o $@ $(OBJS) $(OBJNOSQRT) $(OBJNOMINPT) $(LIB)$(ADLIB) : $(OBJS) $(OBJNOSQRT) $(OBJNOMINPT) $(AR) $(ARFLAGS) $(ADLIB) $(?:.cc=.o)lcheck : $(LNS) $(LNSNOSQRT) $(LINT) $(LIB) $(LNS) $(LNSNOSQRT)lchecksqrt : $(LNS) $(LNSSQRT) $(LINT) $(LIB) $(LNS) $(LNSSQRT)dualmap : dualmap.c $(CC) $(OPT) $(CFLAGS) -lm dualmap.c -o $@## Object dependencies:#analysis.o : analysis.cc analysis.h constants.h getpdbcrds.h stateLibrary.h cnv_state_to_coords.h sort_enrg.h cluster_analysis.h prClusterHist.h getrms.h eintcal.h trilinterp.h print_rem.h strindex.h print_avsfld.h $(CC) $(CFLAGS) -c analysis.ccbanner.o : banner.cc banner.h $(CC) $(CFLAGS) -c banner.ccbestpdb.o : bestpdb.cc bestpdb.h constants.h print_rem.h strindex.h print_avsfld.h $(CC) $(CFLAGS) -c bestpdb.cccall_glss.o : call_glss.cc support.h rep.h eval.h ranlib.h call_glss.h $(CC) $(CFLAGS) -c call_glss.cccall_gs.o : call_gs.cc support.h rep.h eval.h ranlib.h call_gs.h autocomm.h timesyshms.h $(CC) $(CFLAGS) -c call_gs.cccall_ls.o : call_ls.cc support.h rep.h eval.h ranlib.h call_ls.h $(CC) $(CFLAGS) -c call_ls.ccchangeState.o : changeState.cc changeState.h constants.h qmultiply.h $(CC) $(CFLAGS) -c changeState.cccheck_header_float.o : check_header_float.cc check_header_float.h $(CC) $(CFLAGS) -c check_header_float.cccheck_header_int.o : check_header_int.cc check_header_int.h constants.h print_2x.h stop.h $(CC) $(CFLAGS) -c check_header_int.cccheck_header_line.o : check_header_line.cc check_header_line.h constants.h $(CC) $(CFLAGS) -c check_header_line.ccclmode.o : clmode.cc clmode.h constants.h openfile.h strindex.h readPDBQ.h get_atom_type.h getpdbcrds.h sort_enrg.h cluster_analysis.h prClusterHist.h bestpdb.h success.h $(CC) $(CFLAGS) -c clmode.cccluster_analysis.o : cluster_analysis.cc cluster_analysis.h constants.h getrms.h $(CC) $(CFLAGS) -c cluster_analysis.cccmdmode.o : cmdmode.cc cmdtokens.h trjtokens.h cmdmode.h constants.h set_cmd_io_std.h print_2x.h parse_com_line.h strindex.h print_avsfld.h success.h openfile.h readPDBQ.h get_atom_type.h timesys.h eintcal.h trilinterp.h qmultiply.h cnv_state_to_coords.h parse_trj_line.h input_state.h autocomm.h $(CC) $(CFLAGS) -c -DEINTCALPRINT cmdmode.cccnv_state_to_coords.o : cnv_state_to_coords.cc cnv_state_to_coords.h constants.h torsion.h qtransform.h stateLibrary.h $(CC) $(CFLAGS) -c cnv_state_to_coords.cccom.o : com.cc ranlib.h $(CC) $(CFLAGS) -c com.ccstateLibrary.o : stateLibrary.cc stateLibrary.h constants.h $(CC) $(CFLAGS) -c stateLibrary.ccreadPDBQ.o : readPDBQ.cc readPDBQ.h constants.h openfile.h stop.h readPDBQ.h get_atom_type.h print_2x.h mkTorTree.h nonbonds.h weedbonds.h torNorVec.h success.h autocomm.h $(CC) $(OLIMIT) -c readPDBQ.ccdpftypes.o : dpftypes.cc dpftypes.h constants.h dpftoken.h stop.h $(CC) $(CFLAGS) -c dpftypes.cceintcal.o : eintcal.cc eintcal.h constants.h $(CC) $(CFLAGS) -DNOSQRT -DBOUNDED -c eintcal.cc -o eintcal.oeintcalPrint.o : eintcal.cc eintcal.h constants.h $(CC) $(CFLAGS) -DNOSQRT -DBOUNDED -DEINTCALPRINT -c eintcal.cc -o eintcalPrint.oeval.o : eval.cc eval.h structs.h constants.h autocomm.h $(CC) $(CFLAGS) -c eval.ccevaluate_energy.o : evaluate_energy.cc evaluate_energy.h constants.h trilinterp.h eintcal.h $(CC) $(CFLAGS) -c evaluate_energy.ccgencau.o : gencau.cc ranlib.h $(CC) $(CFLAGS) -c gencau.ccgetInitialState.o : getInitialState.cc getInitialState.h constants.h qmultiply.h stateLibrary.h initautodock.h trilinterp.h eintcal.h cnv_state_to_coords.h prInitialState.h timesys.h autocomm.h $(CC) $(CFLAGS) -c getInitialState.ccget_atom_type.o : get_atom_type.cc get_atom_type.h constants.h $(CC) $(CFLAGS) -c get_atom_type.ccgetpdbcrds.o : getpdbcrds.cc getpdbcrds.h constants.h openfile.h $(CC) $(CFLAGS) -c getpdbcrds.ccgetrms.o : getrms.cc getrms.h constants.h autocomm.h $(CC) $(CFLAGS) -c getrms.ccgs.o : gs.cc gs.h ranlib.h eval.h rep.h support.h writePDBQ.h $(CC) $(CFLAGS) -DCHECK_ISNAN -c gs.cc -o gs.oinitautodock.o : initautodock.cc initautodock.h constants.h qmultiply.h cnv_state_to_coords.h print_2x.h autocomm.h $(CC) $(CFLAGS) -c initautodock.ccinput_state.o : input_state.cc input_state.h constants.h qmultiply.h $(CC) $(CFLAGS) -c input_state.ccinvestigate.o : investigate.cc investigate.h constants.h changeState.h mkRandomState.h cnv_state_to_coords.h getrms.h trilinterp.h eintcal.h getpdbcrds.h stateLibrary.h $(CC) $(CFLAGS) -c investigate.ccintnbtable.o : intnbtable.cc intnbtable.h constants.h $(CC) $(OLIMIT) -DNOSQRT -c intnbtable.cclinpack.o : linpack.cc $(CC) $(CFLAGS) -c linpack.ccls.o : ls.cc ls.h support.h ranlib.h $(CC) $(CFLAGS) -c ls.ccmain.o : main.cc hybrids.h ranlib.h gs.h ls.h rep.h support.h main.h constants.h autocomm.h dpftoken.h structs.h autoglobal.h autocomm.h $(CC) $(OLIMIT) -c -DWRITEPDBQSTATE main.ccmapping.o : mapping.cc support.h $(CC) $(CFLAGS) -c mapping.ccminmeanmax.o : minmeanmax.cc rep.h support.h $(CC) $(CFLAGS) -c minmeanmax.ccmkNewState.o : mkNewState.cc mkNewState.h constants.h $(CC) $(CFLAGS) -c mkNewState.ccmkTorTree.o : mkTorTree.cc pdbqtokens.h mkTorTree.h constants.h $(CC) $(CFLAGS) -c mkTorTree.ccmkRandomState.o : mkRandomState.cc mkRandomState.h constants.h $(CC) $(CFLAGS) -c mkRandomState.ccnbe.o : nbe.cc nbe.h constants.h $(CC) $(OLIMIT) -DNOSQRT -c nbe.ccnonbonds.o : nonbonds.cc nonbonds.h constants.h $(CC) $(CFLAGS) -c nonbonds.ccopenfile.o : openfile.cc openfile.h constants.h autocomm.h $(CC) $(CFLAGS) -c openfile.ccoutput_state.o : output_state.cc output_state.h constants.h $(CC) $(CFLAGS) -c output_state.ccparse_com_line.o : parse_com_line.cc cmdtokens.h parse_com_line.h constants.h $(CC) $(CFLAGS) -c parse_com_line.ccparse_dpf_line.o : parse_dpf_line.cc parse_dpf_line.h constants.h dpftoken.h $(CC) $(CFLAGS) -c parse_dpf_line.ccparse_pdbq_line.o : parse_pdbq_line.cc pdbqtokens.h parse_pdbq_line.h constants.h $(CC) $(CFLAGS) -c parse_pdbq_line.ccparse_trj_line.o : parse_trj_line.cc trjtokens.h parse_trj_line.h constants.h $(CC) $(CFLAGS) -c parse_trj_line.ccprClusterHist.o : prClusterHist.cc prClusterHist.h constants.h $(CC) $(CFLAGS) -c prClusterHist.ccprInitialState.o : prInitialState.cc prInitialState.h constants.h $(CC) $(CFLAGS) -c prInitialState.ccprTorConList.o : prTorConList.cc prTorConList.h constants.h autocomm.h $(CC) $(CFLAGS) -c prTorConList.ccprint_2x.o : print_2x.cc print_2x.h $(CC) $(CFLAGS) -c print_2x.ccprint_atomic_energies.o : print_atomic_energies.cc print_atomic_energies.h constants.h $(CC) $(CFLAGS) -c print_atomic_energies.ccprint_avsfld.o : print_avsfld.cc print_avsfld.h
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