source/wham/src-HCD-5D/Makefile_MPICH_ifort-okeanos

   1 BIN = ~/bin
   2 FC = ftn
   3 OPT = -mcmodel=medium -shared-intel -O3 -dynamic
   4 #OPT = -O3 -intel-static -mcmodel=medium
   5 #OPT = -O3 -ip -w
   6 #OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
   7 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
   8 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
   9
  10 .f.o:
  11         ${FC} ${FFLAGS} $*.f
  12
  13 .F.o:
  14         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  15
  16 objects = \
  17         wham_multparm.o \
  18         bxread.o \
  19         xread.o \
  20         cxread.o \
  21         enecalc1.o \
  22         energy_p_new.o \
  23         gnmr1.o \
  24         initialize_p.o \
  25         molread_zs.o \
  26         openunits.o \
  27         readrtns.o \
  28         read_constr_homology.o \
  29         arcos.o \
  30         cartder.o \
  31         cartprint.o \
  32         chainbuild.o \
  33         geomout.o \
  34         icant.o \
  35         intcor.o \
  36         int_from_cart.o \
  37         refsys.o \
  38         make_ensemble1.o \
  39         matmult.o \
  40         misc.o \
  41         mygetenv.o \
  42         parmread.o \
  43         permut.o \
  44         seq2chains.o \
  45         chain_symmetry.o \
  46         iperm.o \
  47         pinorm.o \
  48         printmat.o \
  49         proc_proc.o \
  50         rescode.o \
  51         setup_var.o \
  52         slices.o \
  53         store_parm.o \
  54         timing.o \
  55         wham_calc1.o \
  56         PMFprocess.o \
  57         ssMD.o \
  58         oligomer.o
  59
  60 objects_compar = \
  61         readrtns_compar.o \
  62         readpdb.o fitsq.o contact.o \
  63         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  64         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  65         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  66
  67 all: no_option
  68         @echo "Specify force field: GAB, 4P or E0LL2Y"
  69
  70 no_option:
  71
  72 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  73         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  74 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  75         gcc -o compinfo compinfo.c
  76         ./compinfo
  77         ${FC} -c ${FFLAGS} cinfo.f
  78         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  79         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS-homology.exe
  80
  81 GAB_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  82         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM -DDFA
  83 GAB_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
  84         gcc -o compinfo compinfo.c
  85         ./compinfo
  86         ${FC} -c ${FFLAGS} cinfo.f
  87         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
  88         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS-homology-DFA.exe
  89
  90 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  91         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  92 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  93         gcc -o compinfo compinfo.c
  94         ./compinfo
  95         ${FC} -c ${FFLAGS} cinfo.f
  96         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  97         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS-homology.exe
  98
  99 4P_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
 100         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM -DDFA
 101 4P_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 102         gcc -o compinfo compinfo.c
 103         ./compinfo
 104         ${FC} -c ${FFLAGS} cinfo.f
 105         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 106         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS-homology-DFA.exe
 107
 108 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
 109 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 110         gcc -o compinfo compinfo.c
 111         ./compinfo
 112         ${FC} -c ${FFLAGS} cinfo.f
 113         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 114         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS-homology.exe
 115
 116 E0LL2Y_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM -DDFA
 117 E0LL2Y_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 118         gcc -o compinfo compinfo.c
 119         ./compinfo
 120         ${FC} -c ${FFLAGS} cinfo.f
 121         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 122         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS-homology-DFA.exe
 123
 124 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
 125 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 126         gcc -o compinfo compinfo.c
 127         ./compinfo
 128         ${FC} -c ${FFLAGS} cinfo.f
 129         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 130         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-SAXS-homology.exe
 131
 132 NEWCORR_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DDFA
 133 NEWCORR_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 134         gcc -o compinfo compinfo.c
 135         ./compinfo
 136         ${FC} -c ${FFLAGS} cinfo.f
 137         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 138         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-SAXS-homology-DFA.exe
 139
 140 xdrf/libxdrf.a:
 141         cd xdrf && make
 142
 143
 144 clean:
 145         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
 146