3 OPT = -mcmodel=medium -shared-intel -O3 -dynamic
4 #OPT = -O3 -intel-static -mcmodel=medium
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
14 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
29 read_constr_homology.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
68 @echo "Specify force field: GAB, 4P, E0LL2Y or NEWCORR"
72 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
73 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM
74 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
75 gcc -o compinfo compinfo.c
77 ${FC} -c ${FFLAGS} cinfo.f
78 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
79 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_GAB-HCD.exe
81 GAB_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
82 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM -DDFA
83 GAB_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
84 gcc -o compinfo compinfo.c
86 ${FC} -c ${FFLAGS} cinfo.f
87 $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
88 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_GAB-HCD-DFA.exe
90 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
91 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM
92 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
93 gcc -o compinfo compinfo.c
95 ${FC} -c ${FFLAGS} cinfo.f
96 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
97 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_4P-HCD.exe
99 4P_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
100 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM -DDFA
101 4P_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
102 gcc -o compinfo compinfo.c
104 ${FC} -c ${FFLAGS} cinfo.f
105 $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
106 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_4P-HCD-DFA.exe
108 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DFOURBODY -DAMD64 -DWHAM
109 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
110 gcc -o compinfo compinfo.c
112 ${FC} -c ${FFLAGS} cinfo.f
113 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
114 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_E0LL2Y-HCD.exe
116 E0LL2Y_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DFOURBODY -DAMD64 -DWHAM -DDFA
117 E0LL2Y_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
118 gcc -o compinfo compinfo.c
120 ${FC} -c ${FFLAGS} cinfo.f
121 $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
122 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_E0LL2Y-HCD-DFA.exe
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
128 ${FC} -c ${FFLAGS} cinfo.f
129 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
130 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD.exe
132 NEWCORR5D: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM -DFIVEDIAG
133 NEWCORR5D: ${objects} ${objects_compar} xdrf/libxdrf.a
134 gcc -o compinfo compinfo.c
136 ${FC} -c ${FFLAGS} cinfo.f
137 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
138 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD5.exe
140 NEWCORR_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DDFA
141 NEWCORR_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
142 gcc -o compinfo compinfo.c
144 ${FC} -c ${FFLAGS} cinfo.f
145 $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
146 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD-DFA-D.exe
148 NEWCORR5D_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DFIVEDIAG -DDFA
149 NEWCORR5D_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
150 gcc -o compinfo compinfo.c
152 ${FC} -c ${FFLAGS} cinfo.f
153 $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
154 ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD5-DFA.exe
161 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean