update new files
[unres.git] / source / maxlik / src_FPy / Makefile-piasek
1 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
2 BIN = /users2/adam/unres/bin/maxlik
3 CC = cc
4 FC = ifort
5 #OPT = -g -CA -CB
6 #OPT1 = ${OPT}
7 #OPT2 = ${OPT}
8 #OPT1 =
9 OPT =  -O2 -ip -w -fpic
10 OPT1 = -O2 -ip -w -fpic
11 OPT2 = -w -O3 -ipo -ipo_obj  -opt_report -fpic
12 CFLAGS = -c
13 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
14 FFLAGS1 = ${OPT1} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
15 FFLAGS2 = ${OPT2} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
16 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
17 CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR -DPYTHON #-DCHECKGRAD # -DOUT_PTAB -DOUT_LIK -DZCHECK
18
19 .f.o:
20         ${FC} ${FFLAGS} $*.f
21
22 .F.o:
23         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
24
25 all: maxlik
26
27 objects = \
28         bilans.o \
29         amebsa.o \
30         amotsa.o \
31         arcos.o \
32         averages_sc.o \
33         cartder.o \
34         cartprint.o \
35         chainbuild.o \
36         convert.o \
37         cored.o \
38         cutoff_violation.o \
39         energy_p_new_sc.o \
40         func1_sc.o \
41         geomout.o \
42         gnmr1.o \
43         icant.o \
44         initialize_p.o \
45         intcor.o \
46         int_from_cart1.o \
47         make_list_sc.o \
48         matmult.o \
49         minimize.o \
50         misc.o \
51         mygetenv.o \
52         molread_zs.o \
53         openunits.o \
54         parmread.o \
55         pinorm.o \
56         printmat.o \
57         proc.o \
58         ran1.o \
59         randgens.o \
60         random.o \
61         readrtns_MP.o \
62         refsys.o \
63         rescode.o \
64         restart.o \
65         rmdd.o \
66         scan.o \
67         setup_var.o \
68         sumsl_a.o \
69         sumsld.o \
70         thermal.o \
71         timing.o \
72         maxlikopt.o \
73         w2x_eps.o 
74
75 objects_compar = \
76         fitsq.o \
77         lmysort.o \
78         q_measure1.o \
79         q_measure_self.o \
80         readpdb.o \
81         readrtns_compar.o \
82         rmscalc.o
83
84 maxlik: opt_main.o zscorez.o ${objects} ${objects_compar}
85         cc -o compinfo compinfo.c
86         ./compinfo
87         ${FC} -c ${FFLAGS} cinfo.f
88         $(FC) ${OPT} opt_main.o zscorez.o ${objects} ${objects_compar} cinfo.o ${LIBS} \
89          -o ${BIN}/zscorezMD_maxlik-ifort-NEWCORR.exe
90
91 zscorez.so: zscorez.F
92         f2py -${FFLAGS} -c --fcompiler=intelem -m zscorez zscorez.F
93
94 opt_main.o: opt_main.F
95         ${FC} ${FFLAGS} opt_main.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} ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F
114
115 q_measure1.o: q_measure1.F
116         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure1.F
117
118 q_measure_self.o: q_measure_self.F
119         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure_self.F
120
121 averages.o: averages.F
122         ${FC} ${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