arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
[unres.git] / source / wham / src / Makefile_nostromo
1 #
2 FC = mpixlf77
3 OPT =  -O4 -qarch=qp -qtune=qp -qnocr
4 #OPT =  -O3 -qarch=qp -qtune=qp -qdebug=function_trace
5 #OPT =  -O -qarch=qp -qtune=qp 
6 #OPT = -O0 -C -g -qarch=qp -qtune=qp #-qdebug=function_trace
7 #-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
8 #-Mprefetch=distance:8,nta
9
10 #OPT1 = -O -g -qarch=qp -qtune=qp
11 OPT1 = -O -g -qarch=qp -qtune=qp -qdebug=function_trace
12 #OPT2 = -O2 -qarch=qp -qtune=qp
13 OPT2 = -O2 -qarch=qp -qtune=qp -qdebug=function_trace
14 #OPTE = -O4 -qarch=qp -qtune=qp
15 #OPTE = -O4 -qarch=qp -qtune=qp 
16 OPTE=${OPT}
17
18 CFLAGS = -c
19 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
20 FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
21 FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
22 FFLAGSE = -c ${OPTE} -I$(INSTALL_DIR)/include
23 BIN = ../../../bin
24 FFLAGS = ${OPT} -c -I. -I./include_unres 
25 LIBS = xdrf/libxdrf.a
26
27 .f.o:
28         ${FC} ${FFLAGS} $*.f
29
30 .F.o:
31         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
32
33 objects = \
34         wham_multparm.o \
35         bxread.o \
36         xread.o \
37         cxread.o \
38         enecalc1.o \
39         energy_p_new.o \
40         gnmr1.o \
41         initialize_p.o \
42         molread_zs.o \
43         openunits.o \
44         readrtns.o \
45         arcos.o \
46         cartder.o \
47         cartprint.o \
48         chainbuild.o \
49         geomout.o \
50         icant.o \
51         intcor.o \
52         int_from_cart.o \
53         make_ensemble1.o \
54         matmult.o \
55         misc.o \
56         mygetenv.o \
57         parmread.o \
58         pinorm.o \
59         printmat.o \
60         rescode.o \
61         setup_var.o \
62         slices.o \
63         store_parm.o \
64         timing.o \
65         wham_calc1.o \
66         ssMD.o \
67         dfa.o
68
69 objects_compar = \
70         readrtns_compar.o \
71         readpdb.o fitsq.o contact.o \
72         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
73         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
74         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
75
76 GAB: CPPFLAGS = -WF,-DAIX -WF,-DMPI -WF,-DLINUX -WF,-DUNRES -WF,-DSPLITELE \
77         -WF,-DPROCOR -WF,-DPGI -WF,-DISNAN -WF,-DAMD64 -WF,-DISNAN\
78         -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC -WF,-DWHAM
79 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
80         cc -o compinfo compinfo.c
81         ./compinfo
82         ${FC} -c ${FFLAGS} cinfo.f
83         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
84         ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH-restr_GAB.exe
85
86 E0LL2Y: CPPFLAGS = -WF,-DAIX -WF,-DMPI -WF,-DLINUX -WF,-DUNRES \
87         -WF,-DSPLITELE -WF,-DPROCOR -WF,-DPGI -WF,-DISNAN -WF,-DWHAM
88 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
89         cc -o compinfo compinfo.c
90         ./compinfo
91         ${FC} -c ${FFLAGS} cinfo.f
92         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
93         ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH-restr_E0LL2Y.exe
94
95 xdrf/libxdrf.a:
96         cd xdrf && make
97
98
99 clean:
100         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
101