update new files
[unres.git] / source / maxlik / src_FPy / Makefile-intel.okeanos
1 INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
2 BIN = ~/bin/
3 CC = gcc
4 FC = /opt/cray/craype/2.5.3/bin/ftn
5 #FC = /opt/intel/bin/ifort
6 OPT = -mcmodel=medium -shared-intel -dynamic -g -CA -CB -fpic
7 OPT1 = ${OPT}
8 OPT2 = ${OPT}
9 CFLAGS = -c
10 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
11 FFLAGS1 = ${OPT1} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
12 FFLAGS2 = ${OPT2} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
13 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
14 CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR #-DCHECKGRAD # -DOUT_PTAB -DOUT_LIK -DZCHECK
15
16 .f.o:
17         ${FC} ${FFLAGS} -I. -Iinclude_unres $*.f
18
19 .F.o:
20         ${FC} ${FFLAGS} -I. -Iinclude_unres ${CPPFLAGS} $*.F
21
22 all: maxlik
23
24 objects = \
25         amebsa.o \
26         amotsa.o \
27         arcos.o \
28         averages_sc.o \
29         bilans.o \
30         cartder.o \
31         cartprint.o \
32         chainbuild.o \
33         convert.o \
34         cored.o \
35         cutoff_violation.o \
36         energy_p_new_sc.o \
37         func1_sc.o \
38         geomout.o \
39         gnmr1.o \
40         icant.o \
41         initialize_p.o \
42         intcor.o \
43         int_from_cart1.o \
44         make_list_sc.o \
45         matmult.o \
46         minimize.o \
47         misc.o \
48         mygetenv.o \
49         molread_zs.o \
50         openunits.o \
51         parmread.o \
52         pinorm.o \
53         printmat.o \
54         proc.o \
55         ran1.o \
56         randgens.o \
57         random.o \
58         readrtns_MP.o \
59         refsys.o \
60         rescode.o \
61         restart.o \
62         rmdd.o \
63         scan.o \
64         setup_var.o \
65         sumsl_a.o \
66         sumsld.o \
67         thermal.o \
68         timing.o \
69         maxlikopt.o \
70         w2x_eps.o 
71
72 objects_compar = \
73         fitsq.o \
74         lmysort.o \
75         q_measure1.o \
76         q_measure_self.o \
77         readpdb.o \
78         readrtns_compar.o \
79         rmscalc.o
80
81 maxlik: main_opt.o zscorez.o ${objects} ${objects_compar}
82         cc -o compinfo compinfo.c
83         ./compinfo
84         ${FC} -c ${FFLAGS} cinfo.f
85         $(FC) ${OPT} main_opt.o zscorez.o ${objects} ${objects_compar} cinfo.o ${LIBS} \
86          -o ${BIN}/zscorezMD_maxlik-ifort-NEWCORR.exe
87
88 zscorez.so: zscorez.F ${objects} ${objects_compar} xdrf/libxdrf.a
89         ${CC} -o compinfo compinfo.c
90         ./compinfo
91         ${FC} -c ${FFLAGS} cinfo.f
92         f2py -c -DMPI -DISNAN -DPYTHON --f90exec=${FC} -m zscorez zscorez.F ${objects} ${objects_compar} cinfo.o xdrf/libxdrf.a
93
94 main_opt.o: main_opt.F
95         ${FC} ${FFLAGS} main_opt.F
96
97 zscorez.o: zscorez.F
98         ${FC} ${FFLAGS} zscorez.F
99
100 sumsld.o: sumsld.f
101         ${FC} ${FFLAGS1} sumsld.f
102
103 sumsl_a.o: sumsl_a.f
104         ${FC} ${FFLAGS1} sumsl_a.f
105
106 cored.o: cored.f
107         ${FC} ${FFLAGS1} cored.f
108
109 rmdd.o: rmdd.f
110         ${FC} ${FFLAGS1} rmdd.f
111
112 energy_p_new_sc.o: energy_p_new_sc.F
113         ${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F
114
115 q_measure1.o: q_measure1.F
116         ${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} q_measure1.F
117
118 q_measure_self.o: q_measure_self.F
119         ${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} q_measure_self.F
120
121 averages.o: averages.F
122         ${FC} -I. -Iinclude_unres ${FFLAGS2} ${CPPFLAGS} averages.F
123
124 fitsq.o: fitsq.f
125         ${FC} ${FFLAGS2} fitsq.f
126
127 isnan.o: isnan.f
128         ${FC} -Kieee -c isnan.f
129
130 clean:
131         /bin/rm *.o