source/wham/src-M-SAXS-homology/Makefile_MPICH_ifort-okeanos

   1 BIN = ~/bin
   2 FC = ftn
   3 #OPT = -intel-static -mcmodel=medium -O3 -ip -w
   4 #OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
   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         make_ensemble1.o \
  38         matmult.o \
  39         misc.o \
  40         mygetenv.o \
  41         parmread.o \
  42         permut.o \
  43         seq2chains.o \
  44         chain_symmetry.o \
  45         iperm.o \
  46         pinorm.o \
  47         printmat.o \
  48         proc_proc.o \
  49         rescode.o \
  50         setup_var.o \
  51         slices.o \
  52         store_parm.o \
  53         timing.o \
  54         wham_calc1.o \
  55         PMFprocess.o \
  56         ssMD.o \
  57         oligomer.o
  58
  59 objects_compar = \
  60         readrtns_compar.o \
  61         readpdb.o fitsq.o contact.o \
  62         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  63         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  64         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  65
  66 all: no_option
  67         @echo "Specify force field: GAB, 4P or E0LL2Y"
  68
  69 no_option:
  70
  71 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  72         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  73 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  74         gcc -o compinfo compinfo.c
  75         ./compinfo
  76         ${FC} -c ${FFLAGS} cinfo.f
  77         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  78         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS-homology.exe
  79
  80 GAB_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  81         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM -DDFA
  82 GAB_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
  83         gcc -o compinfo compinfo.c
  84         ./compinfo
  85         ${FC} -c ${FFLAGS} cinfo.f
  86         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
  87         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS-homology-DFA.exe
  88
  89 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  90         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  91 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  92         gcc -o compinfo compinfo.c
  93         ./compinfo
  94         ${FC} -c ${FFLAGS} cinfo.f
  95         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  96         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS-homology.exe
  97
  98 4P_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  99         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM -DDFA
 100 4P_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 101         gcc -o compinfo compinfo.c
 102         ./compinfo
 103         ${FC} -c ${FFLAGS} cinfo.f
 104         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 105         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS-homology-DFA.exe
 106
 107 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
 108 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 109         gcc -o compinfo compinfo.c
 110         ./compinfo
 111         ${FC} -c ${FFLAGS} cinfo.f
 112         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 113         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS-homology.exe
 114
 115 E0LL2Y_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM -DDFA
 116 E0LL2Y_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 117         gcc -o compinfo compinfo.c
 118         ./compinfo
 119         ${FC} -c ${FFLAGS} cinfo.f
 120         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 121         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS-homology-DFA.exe
 122
 123 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
 124 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 125         gcc -o compinfo compinfo.c
 126         ./compinfo
 127         ${FC} -c ${FFLAGS} cinfo.f
 128         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 129         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-SAXS-homology.exe
 130
 131 NEWCORR_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
 132 NEWCORR_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 133         gcc -o compinfo compinfo.c
 134         ./compinfo
 135         ${FC} -c ${FFLAGS} cinfo.f
 136         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 137         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-SAXS-homology-DFA.exe
 138
 139 xdrf/libxdrf.a:
 140         cd xdrf && make
 141
 142
 143 clean:
 144         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
 145