1 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
2 BIN = ../../../bin/wham
4 OPT = -mcmodel=medium -O3 -ip -w
5 #OPT = -mcmodel=medium -g -CB
6 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
7 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
13 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
53 readpdb.o fitsq.o contact.o \
54 elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
55 angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
56 rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
59 @echo "Specify force field: GAB, 4P or E0LL2Y"
63 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
64 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
65 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
66 cc -o compinfo compinfo.c
68 ${FC} -c ${FFLAGS} cinfo.f
69 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
70 ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_GAB.exe
72 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
73 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
74 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
75 cc -o compinfo compinfo.c
77 ${FC} -c ${FFLAGS} cinfo.f
78 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
79 ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_4P.exe
81 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
82 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
83 cc -o compinfo compinfo.c
85 ${FC} -c ${FFLAGS} cinfo.f
86 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
87 ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_E0LL2Y.exe
94 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean