makefile

c++编写的并行拉马克遗传算法的程序。实现分析对接程序

#
# 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.o

OBJNOSQRT = \
    eintcal.o \
    eintcalPrint.o \
    intnbtable.o \
    nbe.o

OBJSQRT = \
    eintcal.sqrt.o \
    eintcalPrint.sqrt.o \
    intnbtable.sqrt.o \
    nbe.sqrt.o


OBJNOMINPT = \
    trilinterp.o

OBJMINPT = \
    trilinterp.MINPT.o


ADLIB = libad.a
ARFLAGS = 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.ln

LNSNOSQRT = \
    eintcal.ln \
    eintcalPrint.ln \
    intnbtable.ln \
    nbe.ln

LNSSQRT = \
    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 -- START
CC        = mpiCC
LIB       = -lm
CSTD      = -DHPPA $(PROF) $(DBUG) $(WARN)
CFLAGS    = $(OPT)
OPTLEVEL  = -g -O3
OPT       = $(CSTD) $(OPTLEVEL)
OLIMIT    = $(OPT)
LINKOPT   = $(OPT)
LINK      = $(LINKOPT)
LINT      = lint
LINTFLAGS = -DHPPA $(LIB) -c
DBUG      = -DNDEBUG # No debugging and no assert code
PROF      = # No profiling
WARN      = # Default warning level
# AutoDock 3.0 Makefile GNU Linux -- END


autodock3 : 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.cc

banner.o : banner.cc banner.h
	$(CC) $(CFLAGS) -c banner.cc

bestpdb.o : bestpdb.cc bestpdb.h constants.h print_rem.h strindex.h print_avsfld.h
	$(CC) $(CFLAGS) -c bestpdb.cc

call_glss.o : call_glss.cc support.h rep.h eval.h ranlib.h call_glss.h
	$(CC) $(CFLAGS) -c call_glss.cc

call_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.cc

call_ls.o : call_ls.cc support.h rep.h eval.h ranlib.h call_ls.h
	$(CC) $(CFLAGS) -c call_ls.cc

changeState.o : changeState.cc changeState.h constants.h qmultiply.h
	$(CC) $(CFLAGS) -c changeState.cc

check_header_float.o : check_header_float.cc check_header_float.h
	$(CC) $(CFLAGS) -c check_header_float.cc

check_header_int.o : check_header_int.cc check_header_int.h constants.h print_2x.h stop.h
	$(CC) $(CFLAGS) -c check_header_int.cc

check_header_line.o : check_header_line.cc check_header_line.h constants.h
	$(CC) $(CFLAGS) -c check_header_line.cc

clmode.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.cc

cluster_analysis.o : cluster_analysis.cc cluster_analysis.h constants.h getrms.h
	$(CC) $(CFLAGS) -c cluster_analysis.cc

cmdmode.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.cc

cnv_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.cc

com.o : com.cc ranlib.h
	$(CC) $(CFLAGS) -c com.cc

stateLibrary.o : stateLibrary.cc stateLibrary.h constants.h
	$(CC) $(CFLAGS) -c stateLibrary.cc

readPDBQ.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.cc

dpftypes.o : dpftypes.cc dpftypes.h constants.h dpftoken.h stop.h
	$(CC) $(CFLAGS) -c dpftypes.cc

eintcal.o : eintcal.cc eintcal.h constants.h
	$(CC) $(CFLAGS) -DNOSQRT -DBOUNDED -c eintcal.cc -o eintcal.o

eintcalPrint.o : eintcal.cc eintcal.h constants.h
	$(CC) $(CFLAGS) -DNOSQRT -DBOUNDED -DEINTCALPRINT -c eintcal.cc -o eintcalPrint.o

eval.o : eval.cc eval.h structs.h constants.h autocomm.h 
	$(CC) $(CFLAGS) -c eval.cc

evaluate_energy.o : evaluate_energy.cc evaluate_energy.h constants.h trilinterp.h eintcal.h
	$(CC) $(CFLAGS) -c evaluate_energy.cc

gencau.o : gencau.cc ranlib.h
	$(CC) $(CFLAGS) -c gencau.cc

getInitialState.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.cc

get_atom_type.o : get_atom_type.cc get_atom_type.h constants.h
	$(CC) $(CFLAGS) -c get_atom_type.cc

getpdbcrds.o : getpdbcrds.cc getpdbcrds.h constants.h openfile.h
	$(CC) $(CFLAGS) -c getpdbcrds.cc

getrms.o : getrms.cc getrms.h constants.h autocomm.h
	$(CC) $(CFLAGS) -c getrms.cc

gs.o : gs.cc gs.h ranlib.h eval.h rep.h support.h writePDBQ.h
	$(CC) $(CFLAGS) -DCHECK_ISNAN -c gs.cc -o gs.o

initautodock.o : initautodock.cc initautodock.h constants.h qmultiply.h cnv_state_to_coords.h print_2x.h autocomm.h
	$(CC) $(CFLAGS) -c initautodock.cc

input_state.o : input_state.cc input_state.h constants.h qmultiply.h
	$(CC) $(CFLAGS) -c input_state.cc

investigate.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.cc

intnbtable.o : intnbtable.cc intnbtable.h constants.h
	$(CC) $(OLIMIT) -DNOSQRT -c intnbtable.cc

linpack.o : linpack.cc
	$(CC) $(CFLAGS) -c linpack.cc

ls.o : ls.cc ls.h support.h ranlib.h
	$(CC) $(CFLAGS) -c ls.cc

main.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.cc

mapping.o : mapping.cc support.h
	$(CC) $(CFLAGS) -c mapping.cc

minmeanmax.o : minmeanmax.cc  rep.h support.h
	$(CC) $(CFLAGS) -c minmeanmax.cc

mkNewState.o : mkNewState.cc mkNewState.h constants.h
	$(CC) $(CFLAGS) -c mkNewState.cc

mkTorTree.o : mkTorTree.cc pdbqtokens.h mkTorTree.h constants.h
	$(CC) $(CFLAGS) -c mkTorTree.cc

mkRandomState.o : mkRandomState.cc mkRandomState.h constants.h
	$(CC) $(CFLAGS) -c mkRandomState.cc

nbe.o : nbe.cc nbe.h constants.h
	$(CC) $(OLIMIT) -DNOSQRT -c nbe.cc

nonbonds.o : nonbonds.cc nonbonds.h constants.h
	$(CC) $(CFLAGS) -c nonbonds.cc

openfile.o : openfile.cc openfile.h constants.h autocomm.h
	$(CC) $(CFLAGS) -c openfile.cc

output_state.o : output_state.cc output_state.h constants.h
	$(CC) $(CFLAGS) -c output_state.cc

parse_com_line.o : parse_com_line.cc cmdtokens.h parse_com_line.h constants.h
	$(CC) $(CFLAGS) -c parse_com_line.cc

parse_dpf_line.o : parse_dpf_line.cc parse_dpf_line.h constants.h dpftoken.h
	$(CC) $(CFLAGS) -c parse_dpf_line.cc

parse_pdbq_line.o : parse_pdbq_line.cc pdbqtokens.h  parse_pdbq_line.h constants.h
	$(CC) $(CFLAGS) -c parse_pdbq_line.cc

parse_trj_line.o : parse_trj_line.cc trjtokens.h parse_trj_line.h constants.h
	$(CC) $(CFLAGS) -c parse_trj_line.cc

prClusterHist.o : prClusterHist.cc prClusterHist.h constants.h
	$(CC) $(CFLAGS) -c prClusterHist.cc

prInitialState.o : prInitialState.cc prInitialState.h constants.h
	$(CC) $(CFLAGS) -c prInitialState.cc

prTorConList.o : prTorConList.cc prTorConList.h constants.h autocomm.h
	$(CC) $(CFLAGS) -c prTorConList.cc

print_2x.o : print_2x.cc print_2x.h
	$(CC) $(CFLAGS) -c print_2x.cc

print_atomic_energies.o : print_atomic_energies.cc print_atomic_energies.h constants.h
	$(CC) $(CFLAGS) -c print_atomic_energies.cc

print_avsfld.o : print_avsfld.cc print_avsfld.h