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root/OpenMD/branches/development/ac-tools/configure.in
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Comparing trunk/ac-tools/configure.in (file contents):
Revision 2 by gezelter, Fri Sep 24 04:16:43 2004 UTC vs.
Revision 956 by gezelter, Tue May 16 02:06:37 2006 UTC

# Line 1 | Line 1 | dnl **** Process this file with autoconf to produce a
1   dnl **** Process this file with autoconf to produce a configure script.
2  
3 < AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse)
3 > AC_PREREQ(2.59)
4 > AC_INIT(OOPSE, 3.0, gezelter@nd.edu, oopse)
5   AC_CONFIG_AUX_DIR(ac-tools)
6 + AC_CONFIG_SRCDIR([src/applications/oopse/oopse.cpp])
7 + AC_CONFIG_HEADER([src/config.h])
8  
6 – builtin(include, ac-tools/fortran90.m4)
9   builtin(include, ac-tools/aclocal.m4)
10 + builtin(include, ac-tools/AC_CXX_HAVE_STL.m4)
11 + builtin(include, ac-tools/AC_CXX_NAMESPACES.m4)
12 + builtin(include, ac-tools/AC_CXX_STD.m4)
13  
14 < AC_CONFIG_SRCDIR([src/oopse.cpp])
14 > # who am i
15 > AC_CANONICAL_HOST
16  
17   AC_PREFIX_DEFAULT("/usr/local")
18  
# Line 14 | Line 20 | AC_SUBST(PROGNAME)
20   PROGNAME="oopse"
21   AC_SUBST(PROGNAME)
22  
23 + AC_EXEEXT
24 + AC_OBJEXT
25 + OBJEXT=".$OBJEXT"
26 +
27 + OOPSE=oopse
28 +
29 + dnl **** define home dir of oopse
30 + if test "x${prefix}" = "xNONE"
31 + then
32 +  OOPSE_HOME=${ac_default_prefix}/oopse
33 + else
34 +  OOPSE_HOME=${prefix}/oopse
35 + fi
36 + AC_ARG_ENABLE(oopse-home,
37 + [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
38 + [OOPSE_HOME="${enableval}"])
39 +
40   # there are two ways to do debugging.  One with the --enable-debug flag
41   # and one using the DEBUG environment variable
42  
# Line 25 | Line 48 | AC_SUBST(debug)
48   fi
49   AC_SUBST(debug)
50  
51 < # who am i
52 < AC_CANONICAL_HOST
53 <
54 < dnl Checks for C compiler
55 < AC_PROG_CC([icc xlc gcc cc])
56 <
57 < dnl Checks for C++ compiler
58 < AC_PROG_CXX([icpc icc xlc++ xlC CC g++ c++])
59 <
60 < dnl If we are not running g++ then we might need some other flags
61 < dnl to get the templates compiled correctly
62 < OOPSE_TEMPLATE_FLAGS=""
63 < if test $ac_cv_prog_gxx = no; then
64 <  AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink])
65 <  echo 'void f(){}' > conftest.cc
66 <  if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then
67 <    AC_MSG_RESULT(yes)
68 <    OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink"
69 <  else
70 <    AC_MSG_RESULT(no)
71 <  fi
49 <  rm -f conftest*
50 <  AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static])
51 <  echo 'void f(){}' > conftest.cc
52 <  if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then
53 <    AC_MSG_RESULT(yes)
54 <    OOPSE_TEMPLATE_FLAGS="-instances=static"
55 <  else
56 <    AC_MSG_RESULT(no)
57 <  fi
58 <  rm -f conftest*
59 <  AC_MSG_CHECKING([checking whether ${CXX} accepts -pto])
60 <  echo 'void f(){}' > conftest.cc
61 <  if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then
62 <    AC_MSG_RESULT(yes)
63 <    OOPSE_TEMPLATE_FLAGS="-pto"
64 <  else
65 <    AC_MSG_RESULT(no)
66 <  fi
67 <  rm -f conftest*
68 <  AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std])
69 <  echo 'void f(){}' > conftest.cc
70 <  if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then
71 <    AC_MSG_RESULT(yes)
72 <    
73 <
74 <    EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std"
75 <  else
76 <    AC_MSG_RESULT(no)
77 <  fi
51 > # Checks for programs.
52 > AC_PROG_CXX([icpc icc pgCC pathCC c++ xlc++ xlC g++ CC])
53 > AC_PROG_CC([icc pgcc pathcc cc xlc gcc])
54 > AC_PROG_FC([ifort ifc pgf95 pathf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort], 95)
55 > AC_PROG_CPP
56 > AC_PROG_EGREP
57 > AC_PROG_LN_S
58 > AC_PROG_MAKE_SET
59 > AC_PROG_RANLIB
60 > AX_SYS_PERLSHARPBANG
61 > AC_PROG_INSTALL
62 > case "x$INSTALL" in
63 >   x/*) ;;
64 >   *) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
65 > esac
66 > MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
67 > AC_CHECK_PROG(AR, ar, ar, NONE)
68 > if test "$AR" = "NONE"; then
69 >  AC_MSG_ERROR(--> Can't find \`ar'!)
70 >  AC_CACHE_SAVE
71 >  exit 1
72   fi
73 < AC_SUBST(OOPSE_TEMPLATE_FLAGS)
74 < AC_SUBST(EXTRA_CC_FLAG)
73 > AC_PATH_PROG(PS, ps)
74 > AC_CACHE_CHECK([for POSIX or BSD ps syntax], ac_cv_prog_ps_syntax, [
75 >        if $PS ax -o rss > /dev/null 2>&1; then
76 >                ac_cv_prog_ps_ax=yes
77 >        else
78 >                ac_cv_prog_ps_ax=no
79 >        fi
80 >        if $PS -ef -o rss > /dev/null 2>&1; then
81 >                ac_cv_prog_ps_ef=yes
82 >        else
83 >                ac_cv_prog_ps_ef=no
84 >        fi
85 >        if test "$ac_cv_prog_ps_ax" = yes; then
86 >                ac_cv_prog_ps_syntax=BSD
87 >        else
88 >                if test "$ac_cv_prog_ps_ef" = yes; then
89 >                        ac_cv_prog_ps_syntax=POSIX
90 >                else
91 >                        AC_MSG_ERROR(Could not determine ps syntax)
92 >                fi
93 >        fi
94 > ])
95 > AC_DEFINE_UNQUOTED(PSCOMMAND, $PS, [Path to ps program])
96 > if test "$ac_cv_prog_ps_syntax" = BSD; then
97 >  AC_DEFINE(PSTYPE_IS_BSD, 1, [ps uses BSD-style arguments])
98 > else
99 >   if test "$ac_cv_prog_ps_syntax" = POSIX; then
100 >       AC_DEFINE(PSTYPE_IS_POSIX, 1, [ps uses POSIX-style arguments])
101 >   else
102 >       AC_MSG_ERROR(Unknown ps syntax type!)
103 >   fi
104 > fi
105  
106 < dnl Fortran 90 compilation checks are next
107 <
84 < AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
106 > AC_LANG_PUSH(Fortran)
107 > AC_FC_SRCEXT(F90)
108   dnl Check the flag for Fortran90 preprocessing
109   ACX_PROG_F90_PREPFLAG
110   dnl Check to see if a flag is required for preprocessing defines
111   ACX_PROG_F90_PREPDEFFLAG
112 < AC_LANG_PUSH(Fortran 90)
113 < AC_LANG_PREPROC(Fortran 90)
114 < AC_F90_LIBRARY_LDFLAGS
115 < dnl How does Fortran mangle function names
93 < AC_F90_WRAPPERS
94 < AC_SUBST(F90_FUNC)
95 < AC_SUBST(F90_FUNC_)
112 > AC_FC_WRAPPERS
113 > AC_SUBST(FC_FUNC)
114 > AC_SUBST(FC_FUNC_)
115 > AC_FC_LIBRARY_LDFLAGS
116   dnl Fortran 90 module suffix
117   AC_CHECK_MODSUFFIX
118   dnl Fortran 90 module path specifier
119   AC_CHECK_MODDIRFLAG
120 + AC_F90_MODULE_NAMES
121 + pat=`echo $ac_cv_f90_module_names | sed 's/.*\(%.*%\).*/\1/'`
122 + F90_MODULE_NAMES=empty
123 + case $pat in
124 +       %MODULE%)
125 +          F90_MODULE_NAMES=UPPER ;;
126 +       %Module%)
127 +          F90_MODULE_NAMES=Mixed ;;
128 +       %module%)
129 +          F90_MODULE_NAMES=lower ;;
130 +       *)
131 +          F90_MODULE_NAMES=unknown ;;
132 + esac
133 + AC_SUBST(F90_MODULE_NAMES)
134   AC_LANG_POP
135  
136 + AC_LANG_C
137 +
138 + dnl Checks for libraries.
139 + AC_CHECK_LIB(m, asin, , exit)
140 + ACX_CHECK_ZLIB
141 + AC_ARG_WITH(fftw,
142 + [  --without-fftw          if you turn this off you cannot compute undulation spectra],, with_fftw=yes)
143 + if test "$with_fftw" = "no"; then
144 +  AC_DEFINE(WITHOUT_FFTW,,[Disable all FFTW (and thus undulation spectrum) support])
145 + fi
146 + if test "$with_fftw" = "yes"; then
147 +  sizeof_real=8
148 +
149 +  ACX_CHECK_FFTW(fftw3,$sizeof_real)
150 +
151 +  if test "$with_mpi" = "yes"; then
152 +    ACX_CHECK_FFTW(fftw3_mpi,$sizeof_real)
153 +  fi
154 +
155 +  case ${ac_fftw_savedprefix} in
156 +   d) AC_DEFINE(FFTW_NAME_DFFTW,,[Use the d prefix on fftw includes]) ;;
157 +   *) AC_DEFINE(FFTW_NAME_FFTW,,[Dont use any prefix on fftw includes]) ;;
158 +  esac
159 + else
160 +  echo "*******************************************************************"
161 +  echo "* FFTW libraries and include files are required for computing     *"
162 +  echo "* undulation spectra with the staticProps program.  If you don't  *"
163 +  echo "* fftw turned on, OOPSE will still work, but you won't be able to *"
164 +  echo "* analyze your trajectories for this property.                    *"
165 +  echo "*******************************************************************"
166 + fi # end of fftw check
167 +
168 + # Checks for header files.
169 + AC_HEADER_STDC
170 + AC_CHECK_HEADERS([conio.h dlfcn.h fstream.h iostream.h libintl.h limits.h machine/hal_sysinfo.h math.h stddef.h stdio.h stdlib.h string.h strings.h strstream.h sys/param.h sys/pstat.h sys/sysmp.h sys/sysctl.h sys/sysinfo.h sys/systemcfg.h sys/table.h sys/time.h time.h unistd.h zlib.h])
171 +
172 + # Checks for typedefs, structures, and compiler characteristics.
173 + AC_HEADER_STDBOOL
174 + AC_C_CONST
175 + AC_C_INLINE
176 + AC_C_RESTRICT
177 + AC_TYPE_SIZE_T
178 + AC_HEADER_TIME
179 + AC_CHECK_TYPES(clock_t)
180 + AC_C_CONST
181 + AC_C_INLINE
182 +
183 + # Checks for library functions.
184 + AC_FUNC_MALLOC
185 + AC_FUNC_MEMCMP
186 + AC_FUNC_REALLOC
187 + AC_FUNC_SELECT_ARGTYPES
188 + AC_FUNC_STRFTIME
189 + AC_FUNC_STRTOD
190 + AC_CHECK_FUNCS([floor getpagesize gettimeofday memchr memmove memset pow pstat_getdynamic pstat_getstatic rint select snprintf sranddev sqrt strcasecmp strchr strdup stricmp strncasecmp strnicmp strrchr strstr strtol sysmp getsysinfo sysctl table])
191 +
192 + # special check for _system_configuration because AIX <4.3.2 do not
193 + # contain the `physmem' member.
194 + AC_MSG_CHECKING([for external symbol _system_configuration])
195 + AC_TRY_COMPILE([#include <sys/systemcfg.h>],
196 +               [double x = _system_configuration.physmem;],
197 +  [AC_MSG_RESULT([yes])
198 +  AC_DEFINE(HAVE__SYSTEM_CONFIGURATION, 1,
199 +            [Define if you have the _system_configuration variable.])],
200 +  [AC_MSG_RESULT([no])])
201 +
202   dnl check for system getopt
103 – AC_LANG_PUSH(C)
203   adl_FUNC_GETOPT_LONG
204  
205 + AC_LANG_CPLUSPLUS
206 + AC_CXX_NAMESPACES
207 + AC_CXX_STD
208 + AC_CHECK_HEADERS([ctype.h iostream fstream sstream strstream])
209 + # AC_CPP_FUNC
210 + # ------------------ #
211 + # Checks to see if ANSI C99 CPP variable __func__ works.
212 + # If not, perhaps __FUNCTION__ works instead.
213 + # If not, we'll just define __func__ to "".
214 + AC_DEFUN([AC_CPP_FUNC],
215 + [AC_REQUIRE([AC_PROG_CC_STDC])dnl
216 + AC_CACHE_CHECK([for an ANSI C99-conforming __func__], ac_cv_cpp_func,
217 + [AC_COMPILE_IFELSE([AC_LANG_PROGRAM([],
218 + [[const char *foo = __func__;]])],
219 +  [ac_cv_cpp_func=yes],
220 +  [AC_COMPILE_IFELSE([AC_LANG_PROGRAM([],
221 + [[const char *foo = __FUNCTION__;]])],
222 +  [ac_cv_cpp_func=__FUNCTION__],
223 +  [ac_cv_cpp_func=no])])])
224 + if test $ac_cv_cpp_func = __FUNCTION__; then
225 +  AC_DEFINE(__func__,__FUNCTION__,
226 +            [Define to __FUNCTION__ or "" if `__func__' does not conform to
227 + ANSI C.])
228 + elif test $ac_cv_cpp_func = no; then
229 +  AC_DEFINE(__func__,"",
230 +            [Define to __FUNCTION__ or "" if `__func__' does not conform to
231 + ANSI C.])
232 + fi
233 + ])# AC_CPP_FUNC
234 +
235 + AC_CPP_FUNC
236 + AC_SUBST(__func__)
237 +
238 +
239   dnl check for strong optimization options
240  
241   case $debug in
242    1)
243       ;;
244    *)
245 +   ACX_PROG_FC_MAXOPT
246     ACX_PROG_CC_MAXOPT
247     ACX_PROG_CXX_MAXOPT
114 –   ACX_PROG_F90_MAXOPT
248       ;;
249   esac
250  
251 < AC_PROG_INSTALL
252 < AC_PROG_LN_S
120 < AC_PROG_MAKE_SET
121 < AC_PROG_RANLIB
122 < AC_PROG_YACC
123 < AC_PROG_LEX
124 < AC_CHECK_PROG(AR, ar, ar, NONE)
125 < if test "$AR" = "NONE"; then
126 <  AC_MSG_ERROR(--> Can't find \`ar'!)
127 <  AC_CACHE_SAVE
128 <  exit 1
129 < fi
251 > dnl OpenBabel needs this:
252 > AC_DEFINE([OBAPI], [], [Used to export symbols for DLL / shared library builds])
253  
254  
255   AC_ARG_WITH(mpi,
# Line 148 | Line 271 | AC_SUBST(USE_MPI)
271   fi
272   AC_SUBST(USE_MPI)
273  
274 < AC_ARG_WITH(sprng,
275 <        [AC_HELP_STRING([--with-sprng=<prefix>],
276 <                [compile with SPRNG installed in <prefix> [default=/usr/local]])],
277 <        with_sprng=$withval,
155 <        with_sprng="/usr/local")
274 >
275 > dnl ########################################
276 > dnl # Check for CGAL headers and libraries #
277 > dnl ########################################
278  
279 < case "x$with_sprng" in
280 <        xyes | "x")  USE_SPRNG=yes;;
281 <        xno) USE_SPRNG=no ;;
160 <        *) SPRNG="$with_sprng"; USE_SPRNG=yes ;;
161 < esac
162 < if test "$USE_SPRNG" = "yes" -a -z "$with_sprng"; then
163 <        SPRNG="/usr/local"
164 < fi
165 < if test "$USE_SPRNG" = "yes"; then
166 <        ACX_SPRNG
167 < fi
168 < AC_SUBST(USE_SPRNG)
279 > USE_CGAL=no
280 > cgal_makefile=auto
281 > AC_ARG_WITH(cgal-makefile,[  --with-cgal-makefile=FILE  CGAL makefile that should be used],       cgal_makefile="$withval")
282  
283 + if test "x$cgal_makefile" != xno; then
284  
285 < CHECK_MKL
285 >  if test "x$cgal_makefile" = xauto -a "x$CGAL_MAKEFILE" != x; then
286 >    cgal_makefile="$CGAL_MAKEFILE"
287 >  fi
288  
289 +  AC_MSG_CHECKING(for cgal_makefile: $cgal_makefile)
290  
291 < AC_EXEEXT
175 < AC_OBJEXT
176 < OBJEXT=".$OBJEXT"
291 >  if test -f "$cgal_makefile"; then
292  
293 < OOPSE=oopse
293 >    cat >config.tmp.Makefile <<EOF
294 > include $cgal_makefile
295 > default:
296 >        @echo CGAL_OS_COMPILER=\"\${CGAL_OS_COMPILER}\" >config.tmp.cgalvariables
297 >        @echo CGAL_INCLDIR=\"\${CGAL_INCL_DIR}\" >>config.tmp.cgalvariables
298 >        @echo CGAL_INCLCONFDIR=\"\${CGAL_INCL_CONF_DIR}\" >>config.tmp.cgalvariables
299 >        @echo CGAL_LIBDIR=\"\${CGAL_LIB_DIR}/\${CGAL_OS_COMPILER}\" >>config.tmp.cgalvariables
300 >        @echo CGAL_RLIBDIR=\"\${CGAL_LIB_DIR}/\${CGAL_OS_COMPILER}\" >>config.tmp.cgalvariables
301 >        @echo CGAL_CXXFLAGS=\"\${CGAL_CXXFLAGS}\" >>config.tmp.cgalvariables
302 >        @echo GMP_INCLDIR=\"\${GMP_INCL_DIR}\" >>config.tmp.cgalvariables
303 >        @echo GMP_LIBDIR=\"\${GMP_LIB_DIR}\" >>config.tmp.cgalvariables
304 >        @echo GMP_RLIBDIR=\"\${GMP_LIB_DIR}\" >>config.tmp.cgalvariables
305 >        @echo LEDA_INCLDIR=\"\${LEDA_INCL_DIR}\" >>config.tmp.cgalvariables
306 >        @echo LEDA_LIBDIR=\"\${LEDA_LIB_DIR}\" >>config.tmp.cgalvariables
307 >        @echo LEDA_RLIBDIR=\"\${LEDA_LIB_DIR}\" >>config.tmp.cgalvariables
308 > EOF
309  
310 < dnl **** define home dir of oopse
311 < if test "x${prefix}" = "xNONE"
182 < then
183 <  OOPSE_HOME=${ac_default_prefix}/oopse
184 < else
185 <  OOPSE_HOME=${prefix}/oopse
186 < fi
187 < AC_ARG_ENABLE(oopse-home,
188 < [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
189 < [OOPSE_HOME="${enableval}"])
310 >    make -s -f config.tmp.Makefile
311 >    . config.tmp.cgalvariables
312  
313 < case "x$INSTALL" in
192 <   x/*) ;;
193 <   *) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
194 < esac
313 >    rm -f config.tmp.Makefile config.tmp.cgalvariables
314  
315 < MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
315 >    if test "x$CGAL_INCLDIR" = "x"; then
316 >      CGAL_INCLDIR=""
317 >    fi
318  
319 < dnl **** Final list of subdirs
320 < SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder third-party "
319 >    if test "x$CGAL_LIBDIR" = "x"; then
320 >      CGAL_LIBDIR=""
321 >    fi
322  
323 < dnl **** Define CFLAGS etc empty to prevent configure from setting them
324 < CFLAGS=${CFLAGS-""}
325 < CXXFLAGS=${CXXFLAGS-""}
204 < CPPFLAGS=${CPPFLAGS-""}
205 < FFLAGS=${FFLAGS-""}
206 < F90FLAGS=${F90FLAGS-""}
207 < LDFLAGS=${LDFLAGS-""}
208 < DEBUG=${DEBUG-"-g"}
323 >    if test "x$CGAL_RLIBDIR" = "x"; then
324 >      CGAL_RLIBDIR=""
325 >    fi
326  
327 < case $debug in
328 <  1)
329 <     FFLAGS="$DEBUG $FFLAGS"
213 <     F90FLAGS="$DEBUG $F90FLAGS"
214 <     ;;
215 <  *)
216 <     ;;
217 < esac
327 >    if test "x$LEDA_INCLDIR" = "x"; then
328 >      LEDA_INCLDIR=""
329 >    fi
330  
331 +    if test "x$LEDA_LIBDIR" = "x"; then
332 +      LEDA_LIBDIR=""
333 +    fi
334  
335 +    if test "x$LEDA_RLIBDIR" = "x"; then
336 +      LEDA_RLIBDIR=""
337 +    fi
338 +
339 +    if test "x$GMP_INCLDIR" = "x"; then
340 +      GMP_INCLDIR=""
341 +    fi
342 +
343 +    if test "x$GMP_LIBDIR" = "x"; then
344 +      GMP_LIBDIR=""
345 +    fi
346 +
347 +    if test "x$GMP_RLIBDIR" = "x"; then
348 +      GMP_RLIBDIR=""
349 +    fi
350 +
351 +    AC_MSG_RESULT(CGAL_OS_COMPILER=   $CGAL_OS_COMPILER)
352 +    AC_MSG_RESULT(CGAL_INCLDIR=       $CGAL_INCLDIR)
353 +    AC_MSG_RESULT(CGAL_INCLCONFDIR=   $CGAL_INCLCONFDIR)
354 +    AC_MSG_RESULT(CGAL_LIBDIR=        $CGAL_LIBDIR)
355 +    AC_MSG_RESULT(CGAL_CXXFLAGS=      $CGAL_CXXFLAGS)
356 +    AC_MSG_RESULT(LEDA_INCLDIR=       $LEDA_INCLDIR)
357 +    AC_MSG_RESULT(LEDA_LIBDIR=        $LEDA_LIBDIR)
358 +    AC_MSG_RESULT(GMP_INCLDIR=        $GMP_INCLDIR)
359 +    AC_MSG_RESULT(GMP_LIBDIR=         $GMP_LIBDIR)
360 +
361 +    AC_LANG_PUSH(C++)
362 +    save_CXXFLAGS="$CXXFLAGS"
363 +    CXXFLAGS="$CXXFLAGS -I$CGAL_INCLDIR -I$CGAL_INCLCONFDIR"
364 +    AC_CHECK_HEADER(CGAL/Cartesian.h, cgal=yes, cgal=no)
365 +    CXXFLAGS="$save_CXXFLAGS"
366 +
367 +    if test "x$cgal" = xyes; then
368 +      AC_MSG_CHECKING([for CGAL version])
369 +      LOCATION=${CGAL_INCLDIR}
370 +      LOCATION=${LOCATION:-/usr/include}
371 +      if test -f $LOCATION/CGAL/version.h; then
372 +        CGAL_VERSION=`grep '#define.*\<CGAL_VERSION\>.*' $LOCATION/CGAL/version.h | sed 's/[^0-9\.]*//g'`
373 +      else
374 +        CGAL_VERSION=`grep '#define.*\<CGAL_VERSION\>.*' $LOCATION/CGAL/config.h | sed 's/[^0-9\.]*//g'`
375 +      fi
376 + changequote({, })dnl
377 +      if echo $CGAL_VERSION | grep -q "^[3456789]"; then
378 + changequote([, ])dnl
379 +        AC_MSG_RESULT([($CGAL_VERSION) yes])
380 +      else
381 +        AC_MSG_RESULT([($CGAL_VERSION) no])
382 +        cgal=no
383 +      fi
384 +    fi
385 +
386 +    if test "x$cgal" = xyes; then
387 +      CGAL_LIBS="-lCGAL"
388 +      AC_MSG_CHECKING([whether CGAL uses LEDA])
389 +      if echo $CGAL_CXXFLAGS | grep -q -- -DCGAL_USE_LEDA; then
390 +        CGAL_USES_LEDA=yes
391 +        AC_MSG_RESULT([yes])
392 +        CGAL_DEFINES="-DCGAL_USE_LEDA -DLEDA_PREFIX"
393 +      else
394 +        AC_MSG_RESULT([no])
395 +        CGAL_USES_LEDA=no
396 +      fi
397 +
398 +      AC_MSG_CHECKING([whether CGAL uses GMP])
399 +      if echo $CGAL_CXXFLAGS | grep -q -- -DCGAL_USE_GMP; then
400 +        CGAL_USES_GMP=yes
401 +        AC_MSG_RESULT([yes])
402 +        CGAL_DEFINES="-DCGAL_USE_GMP $CGAL_DEFINES"
403 +      else
404 +        AC_MSG_RESULT([no])
405 +        CGAL_USES_GMP=no
406 +      fi
407 +
408 +      CGAL_LIBS="$CGAL_LIBS -lm"
409 +
410 +      CGAL_CXXFLAGS="-ftemplate-depth-50"
411 +
412 +      AC_MSG_RESULT(CGAL_USES_LEDA=     $CGAL_USES_LEDA)
413 +      AC_MSG_RESULT(CGAL_USES_GMP =     $CGAL_USES_GMP)
414 +      AC_MSG_RESULT(CGAL_INCLDIR  =     $CGAL_INCLDIR)
415 +      AC_MSG_RESULT(CGAL_LIBDIR   =     $CGAL_LIBDIR)
416 +      AC_MSG_RESULT(CGAL_DEFINES  =     $CGAL_DEFINES)
417 +      AC_MSG_RESULT(CGAL_CXXFLAGS =     $CGAL_CXXFLAGS)
418 +      AC_MSG_RESULT(CGAL_LIBS     =     $CGAL_LIBS)
419 +    fi
420 +
421 +    if test "x$cgal" = xyes; then
422 +      save_LIBS="$LIBS"
423 +      LIBS="$LIBS -L$CGAL_LIBDIR"
424 +      if test "x$CGAL_USES_LEDA" = xyes; then
425 +        LIBS="-lL $LIBS -L$LEDA_LIBDIR"
426 +      fi
427 +      # if test "x$CGAL_USES_GMP" = xyes; then
428 +      #   LIBS="-lgmp $LIBS $GMP_LIBDIR"
429 +      # fi
430 +      AC_CHECK_CXX_LIB(CGAL, ::CGAL::Cartesian<int>::Point_2, [#include <CGAL/Cartesian.h>], [::CGAL::Cartesian<int>::Point_2 P], [cgal=yes], [cgal=no], -I$CGAL_INCLDIR -I$CGAL_INCLCONFDIR)
431 +      LIBS="$save_LIBS"
432 +    fi
433 +
434 +  fi
435 +  AC_LANG_POP()
436 +
437 + fi
438 +
439 + if test "x$cgal" = xyes; then
440 +  USE_CGAL=yes
441 +  AC_DEFINE(HAVE_CGAL, 1, [Is defined if the CGAL library is available.])
442 +  AC_DEFINE_UNQUOTED(CGAL_VERSION, $CGAL_VERSION, [The CGAL version number.])
443 + changequote({, })dnl
444 +  if ! echo $CGAL_VERSION | grep -q "^3.0"; then
445 + changequote([, ])dnl
446 +    AC_MSG_WARN(*****************************************************)
447 +    AC_MSG_WARN(*** Warning: Your CGAL version is newer than the  ***)
448 +    AC_MSG_WARN(*** supported versions. It may still work though. ***)
449 +    AC_MSG_WARN(*****************************************************)
450 +  fi
451 + else
452 +   if test "x$cgal_makefile" != xno; then
453 +    AC_MSG_RESULT(No CGAL support. These are not the droids you want.)
454 +  fi
455 +  CGAL_INCLDIR=
456 +  CGAL_LIBDIR=
457 +  CGAL_RLIBDIR=
458 +  CGAL_DEFINES=
459 +  CGAL_CXXFLAGS=
460 +  CGAL_LIBS=
461 + fi
462 +
463 + AC_SUBST(USE_CGAL)
464 + CGAL_INC_DIR="${CGAL_INCLDIR} ${CGAL_INCLCONFDIR}"
465 + AC_SUBST(CGAL_INC_DIR)
466 + CGAL_LIB_DIR=${CGAL_LIBDIR}
467 + AC_SUBST(CGAL_LIB_DIR)
468 + CGAL_RLIB_DIR=${CGAL_RLIBDIR}
469 + AC_SUBST(CGAL_RLIB_DIR)
470 + AC_SUBST(CGAL_DEFINES)
471 + AC_SUBST(CGAL_CXXFLAGS)
472 + AC_SUBST(CGAL_LIBS)
473 +
474 +
475 + BB_ENABLE_DOXYGEN
476 +
477   AC_SUBST(EXEEXT)
478   AC_SUBST(OBJEXT)
479   AC_SUBST(BATEXT)
# Line 227 | Line 484 | AC_SUBST(CPPFLAGS)
484   AC_SUBST(CFLAGS)
485   AC_SUBST(CXXFLAGS)
486   AC_SUBST(CPPFLAGS)
487 < AC_SUBST(FFLAGS)
231 < AC_SUBST(F90FLAGS)
487 > AC_SUBST(FCFLAGS)
488   AC_SUBST(LDFLAGS)
233 – AC_SUBST(PREPFLAG)
489   AC_SUBST(PREPDEFFLAG)
490 < AC_CONFIG_HEADER([libBASS/config.h libmdtools/config.h])
491 < AC_CONFIG_FILES([Makefile
237 <        libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
238 <        utils/sysbuilder/Makefile  forceFields/Makefile samples/Makefile
239 <        third-party/Makefile
240 <        samples/alkane/Makefile samples/argon/Makefile
241 <        samples/lipid/Makefile samples/minimizer/Makefile
242 <        samples/metals/Makefile samples/water/Makefile
243 <        samples/water/dimer/Makefile samples/water/spce/Makefile
244 <        samples/water/ssd/Makefile samples/water/ssde/Makefile
245 <        samples/water/tip4p/Makefile samples/water/tip3p_ice/Makefile
246 <        samples/zcons/Makefile
247 < ])
490 > AC_SUBST(F90_MODULE_NAMES)
491 > AC_CONFIG_FILES([make/Makefile src/utils/Makefile src/applications/nanoRodBuilder/Makefile scripts/filepp], [chmod 0755 scripts/*])
492  
493   AC_OUTPUT

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