1 |
mmeineke |
377 |
dnl **** Process this file with autoconf to produce a configure script. |
2 |
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|
3 |
gezelter |
747 |
AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse) |
4 |
mmeineke |
377 |
AC_CONFIG_AUX_DIR(ac-tools) |
5 |
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|
6 |
gezelter |
747 |
builtin(include, ac-tools/fortran90.m4) |
7 |
mmeineke |
377 |
builtin(include, ac-tools/aclocal.m4) |
8 |
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9 |
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|
10 |
gezelter |
747 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
11 |
mmeineke |
377 |
|
12 |
gezelter |
747 |
AC_PREFIX_DEFAULT("/usr/local") |
13 |
mmeineke |
377 |
|
14 |
gezelter |
747 |
# set program name |
15 |
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PROGNAME="oopse" |
16 |
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AC_SUBST(PROGNAME) |
17 |
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18 |
gezelter |
822 |
# there are two ways to do debugging. One with the --enable-debug flag |
19 |
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# and one using the DEBUG environment variable |
20 |
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21 |
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debug=0 |
22 |
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AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
23 |
gezelter |
747 |
if test "${DEBUG}"; then |
24 |
gezelter |
822 |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
25 |
gezelter |
747 |
msg="$msg, debug mode" |
26 |
mmeineke |
377 |
fi |
27 |
gezelter |
822 |
AC_SUBST(debug) |
28 |
mmeineke |
377 |
|
29 |
gezelter |
747 |
# who am i |
30 |
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AC_CANONICAL_HOST |
31 |
mmeineke |
377 |
|
32 |
gezelter |
840 |
dnl Checks for C compiler |
33 |
gezelter |
747 |
AC_PROG_CC([icc xlc gcc cc]) |
34 |
gezelter |
840 |
|
35 |
|
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dnl Checks for C++ compiler |
36 |
gezelter |
816 |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
37 |
gezelter |
942 |
|
38 |
gezelter |
840 |
dnl If we are not running g++ then we might need some other flags |
39 |
|
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dnl to get the templates compiled correctly |
40 |
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OOPSE_TEMPLATE_FLAGS="" |
41 |
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if test $ac_cv_prog_gxx = no; then |
42 |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
43 |
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echo 'void f(){}' > conftest.cc |
44 |
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if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then |
45 |
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AC_MSG_RESULT(yes) |
46 |
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OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink" |
47 |
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else |
48 |
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AC_MSG_RESULT(no) |
49 |
|
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fi |
50 |
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rm -f conftest* |
51 |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static]) |
52 |
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echo 'void f(){}' > conftest.cc |
53 |
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if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then |
54 |
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AC_MSG_RESULT(yes) |
55 |
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OOPSE_TEMPLATE_FLAGS="-instances=static" |
56 |
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else |
57 |
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AC_MSG_RESULT(no) |
58 |
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fi |
59 |
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rm -f conftest* |
60 |
|
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AC_MSG_CHECKING([checking whether ${CXX} accepts -pto]) |
61 |
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echo 'void f(){}' > conftest.cc |
62 |
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if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then |
63 |
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AC_MSG_RESULT(yes) |
64 |
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OOPSE_TEMPLATE_FLAGS="-pto" |
65 |
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else |
66 |
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AC_MSG_RESULT(no) |
67 |
|
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fi |
68 |
|
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rm -f conftest* |
69 |
|
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AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std]) |
70 |
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echo 'void f(){}' > conftest.cc |
71 |
|
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if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then |
72 |
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AC_MSG_RESULT(yes) |
73 |
chuckv |
896 |
|
74 |
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|
75 |
gezelter |
840 |
EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
76 |
|
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else |
77 |
|
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AC_MSG_RESULT(no) |
78 |
|
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fi |
79 |
|
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fi |
80 |
|
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AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
81 |
|
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AC_SUBST(EXTRA_CC_FLAG) |
82 |
|
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|
83 |
|
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dnl Fortran 90 compilation checks are next |
84 |
|
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|
85 |
gezelter |
942 |
AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
86 |
gezelter |
840 |
dnl Check the flag for Fortran90 preprocessing |
87 |
gezelter |
942 |
ACX_PROG_F90_PREPFLAG |
88 |
gezelter |
840 |
dnl Check to see if a flag is required for preprocessing defines |
89 |
gezelter |
747 |
ACX_PROG_F90_PREPDEFFLAG |
90 |
gezelter |
840 |
AC_LANG_PUSH(Fortran 90) |
91 |
|
|
AC_LANG_PREPROC(Fortran 90) |
92 |
|
|
AC_F90_LIBRARY_LDFLAGS |
93 |
|
|
dnl How does Fortran mangle function names |
94 |
|
|
AC_F90_WRAPPERS |
95 |
|
|
AC_SUBST(F90_FUNC) |
96 |
|
|
AC_SUBST(F90_FUNC_) |
97 |
|
|
dnl Fortran 90 module suffix |
98 |
|
|
AC_CHECK_MODSUFFIX |
99 |
|
|
dnl Fortran 90 module path specifier |
100 |
|
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AC_CHECK_MODDIRFLAG |
101 |
gezelter |
822 |
|
102 |
gezelter |
840 |
dnl check for strong optimization options |
103 |
|
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|
104 |
gezelter |
822 |
case $debug in |
105 |
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1) |
106 |
|
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;; |
107 |
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*) |
108 |
|
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ACX_PROG_CC_MAXOPT |
109 |
|
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ACX_PROG_CXX_MAXOPT |
110 |
|
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ACX_PROG_F90_MAXOPT |
111 |
|
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;; |
112 |
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esac |
113 |
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|
114 |
gezelter |
747 |
AC_PROG_INSTALL |
115 |
|
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AC_PROG_LN_S |
116 |
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AC_PROG_MAKE_SET |
117 |
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AC_PROG_RANLIB |
118 |
|
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AC_PROG_YACC |
119 |
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AC_PROG_LEX |
120 |
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AC_CHECK_PROG(AR, ar, ar, NONE) |
121 |
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if test "$AR" = "NONE"; then |
122 |
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AC_MSG_ERROR(--> Can't find \`ar'!) |
123 |
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AC_CACHE_SAVE |
124 |
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exit 1 |
125 |
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fi |
126 |
mmeineke |
377 |
|
127 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-directory]) |
128 |
gezelter |
942 |
AC_ARG_WITH(mpi, |
129 |
|
|
[ --with-mpi=MPIDIR give the path for MPI [/usr/local]], |
130 |
gezelter |
747 |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
131 |
|
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AC_MSG_RESULT([$MPI_DIR]) |
132 |
gezelter |
942 |
AC_SUBST([mpi]) |
133 |
mmeineke |
377 |
|
134 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-lib-directory]) |
135 |
gezelter |
786 |
AC_ARG_WITH(mpi_libdir, |
136 |
|
|
[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
137 |
gezelter |
747 |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
138 |
|
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AC_MSG_RESULT([$MPI_LIBDIR]) |
139 |
|
|
AC_SUBST([MPI_LIBDIR]) |
140 |
mmeineke |
377 |
|
141 |
gezelter |
747 |
AC_MSG_CHECKING([for mpi-inc-directory]) |
142 |
gezelter |
786 |
AC_ARG_WITH(mpi_inc, |
143 |
|
|
[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]], |
144 |
gezelter |
747 |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
145 |
|
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AC_MSG_RESULT([$MPI_INC]) |
146 |
|
|
AC_SUBST([MPI_INC]) |
147 |
mmeineke |
377 |
|
148 |
|
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|
149 |
gezelter |
747 |
AC_MSG_CHECKING([for MPI library]) |
150 |
|
|
MPI_LIB="" |
151 |
|
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case "$host" in |
152 |
|
|
*-ibm-aix*) dnl IBM/SP2 machines |
153 |
|
|
dnl checking whether to use signal-based MPI |
154 |
mmeineke |
377 |
|
155 |
gezelter |
747 |
AC_MSG_CHECKING([whether to use signal-based MPI library]) |
156 |
|
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AC_MSG_RESULT([$PACX_SIGNAL]) |
157 |
|
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if test "x$PACX_SIGNAL" = "xyes" ; then |
158 |
|
|
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
159 |
|
|
MPI_LIB="-lmpi" |
160 |
|
|
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
161 |
|
|
MPI_LIB="-lmpi" |
162 |
|
|
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
163 |
|
|
MPI_LIB="-lmpich" |
164 |
|
|
else |
165 |
|
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AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
166 |
|
|
fi |
167 |
|
|
else |
168 |
|
|
if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
169 |
|
|
MPI_LIB="-lmpi_r" |
170 |
|
|
else |
171 |
|
|
AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
172 |
|
|
fi |
173 |
|
|
fi |
174 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
175 |
|
|
;; |
176 |
|
|
*) dnl All other machines |
177 |
chuckv |
896 |
if test -f "$MPI_LIBDIR/libmpich.a" ; then |
178 |
|
|
MPI_LIB="-lmpich" |
179 |
gezelter |
747 |
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
180 |
|
|
MPI_LIB="-lmpi" |
181 |
chuckv |
896 |
elif test -f "$MPI_LIBDIR/libmpi.a" ; then |
182 |
|
|
MPI_LIB="-lmpi" |
183 |
gezelter |
747 |
else |
184 |
|
|
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
185 |
|
|
fi |
186 |
|
|
AC_MSG_RESULT(found $MPI_LIB) |
187 |
|
|
;; |
188 |
|
|
esac |
189 |
|
|
AC_SUBST(MPI_LIB) |
190 |
mmeineke |
377 |
|
191 |
gezelter |
942 |
dnl I don't think this works right now: |
192 |
|
|
dnl ACX_MPI |
193 |
mmeineke |
377 |
|
194 |
gezelter |
747 |
AM_PATH_SPRNG |
195 |
|
|
CHECK_MKL |
196 |
gezelter |
826 |
|
197 |
mmeineke |
377 |
|
198 |
|
|
AC_EXEEXT |
199 |
|
|
AC_OBJEXT |
200 |
|
|
OBJEXT=".$OBJEXT" |
201 |
|
|
|
202 |
gezelter |
747 |
OOPSE=oopse |
203 |
mmeineke |
377 |
|
204 |
gezelter |
747 |
dnl **** define home dir of oopse |
205 |
|
|
if test "x${prefix}" = "xNONE" |
206 |
|
|
then |
207 |
|
|
OOPSE_HOME=${ac_default_prefix}/oopse |
208 |
mmeineke |
377 |
else |
209 |
gezelter |
747 |
OOPSE_HOME=${prefix}/oopse |
210 |
mmeineke |
377 |
fi |
211 |
gezelter |
747 |
AC_ARG_ENABLE(oopse-home, |
212 |
|
|
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
213 |
|
|
[OOPSE_HOME="${enableval}"]) |
214 |
mmeineke |
377 |
|
215 |
|
|
case "x$INSTALL" in |
216 |
|
|
x/*) ;; |
217 |
|
|
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
218 |
|
|
esac |
219 |
|
|
|
220 |
|
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
221 |
|
|
|
222 |
|
|
dnl **** Final list of subdirs |
223 |
chuckv |
894 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party" |
224 |
mmeineke |
377 |
|
225 |
gezelter |
747 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
226 |
mmeineke |
794 |
CFLAGS=${CFLAGS-""} |
227 |
|
|
CXXFLAGS=${CXXFLAGS-""} |
228 |
|
|
CPPFLAGS=${CPPFLAGS-""} |
229 |
|
|
FFLAGS=${FFLAGS-""} |
230 |
|
|
F90FLAGS=${F90FLAGS-""} |
231 |
|
|
LDFLAGS=${LDFLAGS-""} |
232 |
|
|
DEBUG=${DEBUG-"-g"} |
233 |
gezelter |
747 |
|
234 |
|
|
case $debug in |
235 |
gezelter |
822 |
1) |
236 |
gezelter |
747 |
FFLAGS="$DEBUG $FFLAGS" |
237 |
|
|
F90FLAGS="$DEBUG $F90FLAGS" |
238 |
|
|
;; |
239 |
|
|
*) |
240 |
|
|
;; |
241 |
|
|
esac |
242 |
|
|
|
243 |
|
|
|
244 |
|
|
AC_SUBST(EXEEXT) |
245 |
|
|
AC_SUBST(OBJEXT) |
246 |
|
|
AC_SUBST(BATEXT) |
247 |
|
|
AC_SUBST(MKINSTALLDIRS) |
248 |
|
|
AC_SUBST(OOPSE) |
249 |
|
|
AC_SUBST(OOPSE_HOME) |
250 |
|
|
AC_SUBST(SUBDIRS) |
251 |
|
|
AC_SUBST(CFLAGS) |
252 |
|
|
AC_SUBST(CXXFLAGS) |
253 |
|
|
AC_SUBST(CPPFLAGS) |
254 |
|
|
AC_SUBST(FFLAGS) |
255 |
|
|
AC_SUBST(F90FLAGS) |
256 |
|
|
AC_SUBST(LDFLAGS) |
257 |
|
|
AC_SUBST(PREPFLAG) |
258 |
|
|
AC_SUBST(PREPDEFFLAG) |
259 |
|
|
AC_CONFIG_HEADER([libmdtools/config.h]) |
260 |
|
|
AC_CONFIG_FILES([Makefile |
261 |
|
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
262 |
|
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
263 |
mmeineke |
809 |
staticProps/Makefile |
264 |
chuckv |
894 |
third-party/Makefile |
265 |
gezelter |
747 |
samples/alkane/Makefile samples/argon/Makefile |
266 |
|
|
samples/beadLipid/Makefile samples/lipid/Makefile |
267 |
|
|
samples/metals/Makefile samples/water/Makefile |
268 |
|
|
]) |
269 |
|
|
|
270 |
|
|
AC_OUTPUT |