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read2sigma in wham and cluster_wham
[unres.git] / source / wham / src-M / Makefile_MPICH_ifort
1 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
2 BIN = ../../../bin/wham
3 FC= ifort
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
8
9 .f.o:
10         ${FC} ${FFLAGS} $*.f
11
12 .F.o:
13         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
14
15 objects = \
16         wham_multparm.o \
17         bxread.o \
18         xread.o \
19         cxread.o \
20         enecalc1.o \
21         energy_p_new.o \
22         gnmr1.o \
23         initialize_p.o \
24         molread_zs.o \
25         openunits.o \
26         readrtns.o \
27         arcos.o \
28         cartder.o \
29         cartprint.o \
30         chainbuild.o \
31         geomout.o \
32         icant.o \
33         intcor.o \
34         int_from_cart.o \
35         make_ensemble1.o \
36         matmult.o \
37         misc.o \
38         mygetenv.o \
39         parmread.o \
40         pinorm.o \
41         printmat.o \
42         proc_proc.o \
43         rescode.o \
44         setup_var.o \
45         slices.o \
46         store_parm.o \
47         timing.o \
48         read_dist_constr.o \
49         permut.o \
50         wham_calc1.o
51
52 objects_compar = \
53         readrtns_compar.o \
54         readpdb.o fitsq.o contact.o \
55         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
56         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
57         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
58
59 all: no_option
60         @echo "Specify force field: GAB, 4P or E0LL2Y"
61
62 no_option:
63
64 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
65         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
66 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
67         cc -o compinfo compinfo.c
68         ./compinfo
69         ${FC} -c ${FFLAGS} cinfo.f
70         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
71         ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH-GAB.exe
72
73 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
74         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
75 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
76         cc -o compinfo compinfo.c
77         ./compinfo
78         ${FC} -c ${FFLAGS} cinfo.f
79         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
80         ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH_D-4P.exe
81
82 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
83 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
84         cc -o compinfo compinfo.c
85         ./compinfo
86         ${FC} -c ${FFLAGS} cinfo.f
87         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
88         ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH_D-E0LL2Y.exe
89
90 xdrf/libxdrf.a:
91         cd xdrf && make
92
93
94 clean:
95         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
96
UNRESPACK 3.x