source/maxlik/src-Fmatch/Makefile-MPICH-okeanos

   1 #INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
   2 BINDIR = ~/bin
   3 CC = gcc
   4 FC = ftn
   5 #FC = /opt/intel/bin/ifort
   6 OPT = -O2 -mcmodel=medium -shared-intel -dynamic
   7 OPT1 = -O0 -mcmodel=medium -shared-intel -dynamic
   8 OPT2 = -O3 -mcmodel=medium -shared-intel -dynamic
   9 #OPT = -mcmodel=medium -shared-intel -dynamic -g -CA -CB
  10 #OPT2 = ${OPT}
  11 #OPT1 =
  12 #OPT = -O2 -ip -w
  13 #OPT1 = -O2 -ip -w
  14 #OPT2 = -w -O3 -ipo -ipo_obj  -opt_report
  15 CFLAGS = -c
  16 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  17 FFLAGS1 = ${OPT1} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  18 FFLAGS2 = ${OPT2} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  19 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
  20 .f.o:
  21         ${FC} ${FFLAGS} $*.f
  22
  23 .F.o:
  24         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  25
  26 all: maxlik
  27
  28 objects = \
  29         zscorez.o \
  30         amebsa.o \
  31         amotsa.o \
  32         arcos.o \
  33         averages_sc.o \
  34         cartder.o \
  35         cartprint.o \
  36         chainbuild.o \
  37         convert.o \
  38         cored.o \
  39         cutoff_violation.o \
  40         energy_p_new_sc.o \
  41         func1_sc.o \
  42         geomout.o \
  43         gnmr1.o \
  44         icant.o \
  45         initialize_p.o \
  46         intcor.o \
  47         int_from_cart1.o \
  48         make_list_sc.o \
  49         make_list_MD.o \
  50         matmult.o \
  51         minimize.o \
  52         misc.o \
  53         mygetenv.o \
  54         molread_zs.o \
  55         openunits.o \
  56         parmread.o \
  57         pinorm.o \
  58         printmat.o \
  59         proc.o \
  60         ran1.o \
  61         randgens.o \
  62         random.o \
  63         readrtns_MP.o \
  64         refsys.o \
  65         rescode.o \
  66         restart.o \
  67         rmdd.o \
  68         scan.o \
  69         setup_var.o \
  70         sumsl_a.o \
  71         sumsld.o \
  72         thermal.o \
  73         timing.o \
  74         maxlikopt.o \
  75         w2x_eps.o \
  76         pmfread.o \
  77         funder_eello.o \
  78         fforcematch.o \
  79         readrtns_forcefit.o \
  80         int_to_cart.o \
  81         intcartderiv.o \
  82         gradient_p.o \
  83         sum_gradient.o \
  84         chain_symmetry.o \
  85         seq2chains.o \
  86         permut.o \
  87         ptab_calc
  88
  89 objects_compar = \
  90         fitsq.o \
  91         lmysort.o \
  92         q_measure1.o \
  93         q_measure_self.o \
  94         readpdb.o \
  95         readrtns_compar.o \
  96         rmscalc.o
  97
  98 all: no_option
  99         @echo "Specify force field: GAB, E0LL2Y or NEWCORR"
 100
 101 no_option:
 102
 103 GAB: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST \
 104         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
 105 GAB: BIN = ${BINDIR}/zscorezMD_maxlik-Fmatch-GAB.exe
 106 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 107         gcc -o compinfo compinfo.c
 108         ./compinfo | true
 109         ${FC} ${FFLAGS} cinfo.f
 110         ${FC} ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} -o ${BIN}
 111
 112 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
 113 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 114         gcc -o compinfo compinfo.c
 115         ./compinfo
 116         ${FC} -c ${FFLAGS} cinfo.f
 117         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
 118          -o ${BINDIR}/zscorezMD_maxlik-Fmatch-E0LL2Y.exe
 119
 120 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR  -DCARGRAD #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
 121 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 122         gcc -o compinfo compinfo.c
 123         ./compinfo
 124         ${FC} -c ${FFLAGS} cinfo.f
 125         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
 126          -o ${BINDIR}/zscorezMD_maxlik-Fmatch-NEWCORR-mdbox.exe
 127
 128 sumsld.o: sumsld.f
 129         ${FC} ${FFLAGS1} sumsld.f
 130
 131 sumsl_a.o: sumsl_a.f
 132         ${FC} ${FFLAGS1} sumsl_a.f
 133
 134 cored.o: cored.f
 135         ${FC} ${FFLAGS1} cored.f
 136
 137 rmdd.o: rmdd.f
 138         ${FC} ${FFLAGS1} rmdd.f
 139
 140 energy_p_new_sc.o: energy_p_new_sc.F
 141         ${FC} ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F
 142
 143 funder_eello.o: funder_eello.F
 144         ${FC} ${FFLAGS2} ${CPPFLAGS} funder_eello.F
 145
 146 q_measure1.o: q_measure1.F
 147         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure1.F
 148
 149 q_measure_self.o: q_measure_self.F
 150         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure_self.F
 151
 152 averages.o: averages.F
 153         ${FC} ${FFLAGS2} ${CPPFLAGS} averages.F
 154
 155 fitsq.o: fitsq.f
 156         ${FC} ${FFLAGS2} fitsq.f
 157
 158 isnan.o: isnan.f
 159         ${FC} -Kieee -c isnan.f
 160
 161 clean:
 162         /bin/rm *.o