5 OPT = -O3 -ip -mcmodel=medium -shared-intel
7 OPT = -g -CA -CB -mcmodel=medium -shared-intel
9 FFLAGS = -c ${OPT} -Iinclude_unres
10 FFLAGS1 = -c -g -CA -CB -mcmodel=medium -shared-intel
12 FFLAGS2 = -c -g -O0 -mcmodel=medium -shared-intel
13 FFLAGSE = -c -O3 -ipo -mcmodel=medium -shared-intel
17 #LIBS = -L$(INSTALL_DIR)/lib -lmpi xdrf/libxdrf.a
18 LIBS = -lmpi xdrf/libxdrf.a
19 #/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a
25 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
68 readpdb.o fitsq.o contact.o \
69 elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
70 angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
71 rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
74 @echo "Specify force field: GAB, 4P or E0LL2Y"
78 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
79 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
80 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
81 gcc -o compinfo compinfo.c
83 ${FC} -c ${FFLAGS} cinfo.f
84 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
85 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS.exe
87 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
88 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
89 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
90 gcc -o compinfo compinfo.c
92 ${FC} -c ${FFLAGS} cinfo.f
93 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
94 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS.exe
96 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
97 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
98 gcc -o compinfo compinfo.c
100 ${FC} -c ${FFLAGS} cinfo.f
101 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
102 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS.exe
104 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
105 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
106 gcc -o compinfo compinfo.c
108 ${FC} -c ${FFLAGS} cinfo.f
109 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
110 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-SAXS-NMRAMB.exe
117 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean