Fixed the "***" issue in PDB output format by shifting the center of each molecule...
[unres.git] / source / wham / src / Makefile_matrix
1 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
2 BIN = ../bin
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 CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64
9
10 .f.o:
11         ${FC} ${FFLAGS} $*.f
12
13 .F.o:
14         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
15
16 all: make_dbase
17
18 objects = \
19         wham_multparm.o \
20         bxread.o \
21         xread.o \
22         cxread.o \
23         enecalc1.o \
24         energy_p_new.o \
25         initialize_p.o \
26         molread_zs.o \
27         openunits.o \
28         readrtns.o \
29         arcos.o \
30         cartder.o \
31         cartprint.o \
32         chainbuild.o \
33         geomout.o \
34         icant.o \
35         intcor.o \
36         int_from_cart.o \
37         make_ensemble1.o \
38         matmult.o \
39         misc.o \
40         mygetenv.o \
41         parmread.o \
42         pinorm.o \
43         printmat.o \
44         proc_proc.o \
45         rescode.o \
46         setup_var.o \
47         slices.o \
48         store_parm.o \
49         timing.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 make_dbase: ${objects} ${objects_compar}
60         cc -o compinfo compinfo.c
61         ./compinfo
62         ${FC} -c ${FFLAGS} cinfo.f
63         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
64         ${LIBS} -static-intel -o ${BIN}/wham_multparm-ham_rep
65
66 clean:
67         /bin/rm *.o