source/wham/src-M/Makefile_MPICH_ifort-okeanos

   1 #INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
   2 BIN = ~/bin
   3 FC= ftn
   4 #OPT = -intel-static -mcmodel=medium -O3 -ip -w
   5 OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
   6 #OPT = -O3 -ip -w
   7 OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
   8 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
   9 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
  10
  11 .f.o:
  12         ${FC} ${FFLAGS} $*.f
  13
  14 .F.o:
  15         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  16
  17 objects = \
  18         wham_multparm.o \
  19         bxread.o \
  20         xread.o \
  21         cxread.o \
  22         enecalc1.o \
  23         energy_p_new.o \
  24         gnmr1.o \
  25         initialize_p.o \
  26         molread_zs.o \
  27         openunits.o \
  28         readrtns.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         pinorm.o \
  44         printmat.o \
  45         proc_proc.o \
  46         rescode.o \
  47         setup_var.o \
  48         slices.o \
  49         store_parm.o \
  50         timing.o \
  51         wham_calc1.o \
  52         PMFprocess.o \
  53         ssMD.o
  54
  55 objects_compar = \
  56         readrtns_compar.o \
  57         readpdb.o fitsq.o contact.o \
  58         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  59         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  60         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  61
  62 all: no_option
  63         @echo "Specify force field: GAB, 4P or E0LL2Y"
  64
  65 no_option:
  66
  67 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  68         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  69 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  70         gcc -o compinfo compinfo.c
  71         ./compinfo
  72         ${FC} -c ${FFLAGS} cinfo.f
  73         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  74         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB.exe
  75
  76 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  77         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  78 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  79         gcc -o compinfo compinfo.c
  80         ./compinfo
  81         ${FC} -c ${FFLAGS} cinfo.f
  82         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  83         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P.exe
  84
  85 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
  86 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
  87         gcc -o compinfo compinfo.c
  88         ./compinfo
  89         ${FC} -c ${FFLAGS} cinfo.f
  90         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  91         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y.exe
  92
  93 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
  94 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
  95         gcc -o compinfo compinfo.c
  96         ./compinfo
  97         ${FC} -c ${FFLAGS} cinfo.f
  98         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  99         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-adapt-fouriertor-corrCD-1600-DEBUG1.exe
 100
 101 xdrf/libxdrf.a:
 102         cd xdrf && make
 103
 104
 105 clean:
 106         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
 107