arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
[unres.git] / source / wham / src / Makefile_MPICH_ifort
1 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
2 INSTALL_DIR = /users/local/mpich2-1.4.1p1_intel
3 BIN = ../../../bin/wham
4 FC= ifort
5 OPT = -mcmodel=medium -shared-intel -O3 -ip -w 
6 #OPT = -mcmodel=medium -g -CB
7 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
8 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a
9
10 .f.o:
11         ${FC} ${FFLAGS} $*.f
12
13 .F.o:
14         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
15
16 objects = \
17         wham_multparm.o \
18         bxread.o \
19         xread.o \
20         cxread.o \
21         enecalc1.o \
22         energy_p_new.o \
23         gnmr1.o \
24         initialize_p.o \
25         molread_zs.o \
26         openunits.o \
27         readrtns.o \
28         arcos.o \
29         cartder.o \
30         cartprint.o \
31         chainbuild.o \
32         geomout.o \
33         icant.o \
34         intcor.o \
35         int_from_cart.o \
36         make_ensemble1.o \
37         matmult.o \
38         misc.o \
39         mygetenv.o \
40         parmread.o \
41         pinorm.o \
42         printmat.o \
43         proc_proc.o \
44         rescode.o \
45         setup_var.o \
46         slices.o \
47         store_parm.o \
48         timing.o \
49         wham_calc1.o \
50         dfa.o \
51         ssMD.o
52
53 objects_compar = \
54         readrtns_compar.o \
55         readpdb.o fitsq.o contact.o \
56         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
57         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
58         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
59
60 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
61         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
62 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
63         cc -o compinfo compinfo.c
64         ./compinfo
65         ${FC} -c ${FFLAGS} cinfo.f
66         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
67         ${LIBS} -o ${BIN}/wham_ifort_MPICH-restr-DFA_GAB.exe
68
69 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
70 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
71         cc -o compinfo compinfo.c
72         ./compinfo
73         ${FC} -c ${FFLAGS} cinfo.f
74         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
75         ${LIBS} -o ${BIN}/wham_ifort_MPICH-restr-DFA_E0LL2Y.exe
76
77 xdrf/libxdrf.a:
78         cd xdrf && make
79
80
81 clean:
82         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
83