--- trunk/OOPSE-2.0/src/config.h.in	2005/02/15 15:17:01	2029
+++ trunk/OOPSE-2.0/src/config.h.in	2005/12/16 21:52:50	2518
@@ -1,3 +1,12 @@
+#define OOPSE_VERSION_MAJOR 3
+#define OOPSE_VERSION_MINOR 1
+#define OOPSE_VERSION_TINY  4
+
+#undef __func__
+
+#define MK_STR(s) # s
+#define STR_DEFINE(t, s) t = MK_STR(s)
+
 /* Define to a macro mangling the given C identifier (in lower and upper
  *    case), which must not contain underscores, for linking with Fortran. */
 #undef F90_FUNC
@@ -11,25 +20,202 @@
 /* Define to 1 if you find the <mpif.h> header file. */
 #undef HAVE_MPIF_H
 
+/* Define to 1 if you find the <getopt.h> header file. */
 #undef HAVE_GETOPT_H
 #undef HAVE_GETOPT_LONG
 
-#undef HAVE_UNISTD_H
+/* Define to 1 if you find the <sys/pstat.h> header file. */
 #undef HAVE_SYS_PSTAT_H
+
+/* Define to 1 if you find the <sys/sysmp.h> header file. */
 #undef HAVE_SYS_SYSMP_H
+
+/* Define to 1 if you find the <sys/sysinfo.h> header file. */
 #undef HAVE_SYS_SYSINFO_H 
+
+/* Define to 1 if you find the <machine/hal_sysinfo.h> header file. */
 #undef HAVE_MACHINE_HAL_SYSINFO_H
+
+/* Define to 1 if you find the <sys/table.h> header file. */
 #undef HAVE_SYS_TABLE_H
+
+/* Define to 1 if you find the <sys/param.h> header file. */
 #undef HAVE_SYS_PARAM_H
+
+/* Define to 1 if you find the <sys/sysctl.h> header file. */
 #undef HAVE_SYS_SYSCTL_H
+
+/* Define to 1 if you find the <sys/systemcfg.h> header file. */
 #undef HAVE_SYS_SYSTEMCFG_H
+
 #undef HAVE_PSTAT_GETSTATIC
 #undef HAVE_SYSMP
 #undef HAVE_GETSYSINFO
 #undef HAVE_SYSCTL
 #undef HAVE__SYSTEM_CONFIGURATION
 #undef HAVE_TABLE 
+#undef HAVE_CGAL
 
+/* Define to the path to the ps command on this machine. */
 #undef PSCOMMAND
+
+/* Define to 1 if the ps command understands POSIX-style arguments. */
 #undef PSTYPE_IS_POSIX
+
+/* Define to 1 if the ps command understands BSD-style arguments. */
 #undef PSTYPE_IS_BSD
+
+/* what follows is required for the openbabel directory */
+
+/* The version of Open Babel */
+#define BABEL_VERSION "2.0.0rc1"
+
+/* Define to 1 if the system has the type `clock_t'. */
+#undef HAVE_CLOCK_T
+
+/* Define to 1 if you have the <conio.h> header file. */
+#undef HAVE_CONIO_H
+
+/* Define to 1 if you have the <ctype.h> header file. */
+#undef HAVE_CTYPE_H
+
+/* Define to 1 if you have the <dlfcn.h> header file. */
+#undef HAVE_DLFCN_H
+
+/* Define to 1 if you have the <fstream> header file. */
+#undef HAVE_FSTREAM
+
+/* Define to 1 if you have the <fstream.h> header file. */
+#undef HAVE_FSTREAM_H
+
+/* Define to 1 if you have the <iconv.h> header file. */
+#undef HAVE_ICONV_H
+
+/* Define to 1 if you have the <inttypes.h> header file. */
+#undef HAVE_INTTYPES_H
+
+/* Define to 1 if you have the <iostream> header file. */
+#undef HAVE_IOSTREAM
+
+/* Define to 1 if you have the <iostream.h> header file. */
+#undef HAVE_IOSTREAM_H
+
+/* Define to 1 if you have the `m' library (-lm). */
+#undef HAVE_LIBM
+
+/* Define to 1 if you have the `z' library (-lz). */
+#undef HAVE_LIBZ
+
+/* Define to 1 if you have the <math.h> header file. */
+#undef HAVE_MATH_H
+
+/* Define to 1 if you have the <memory.h> header file. */
+#undef HAVE_MEMORY_H
+
+/* Define to 1 if you have the `rint' function. */
+#undef HAVE_RINT
+
+/* Define to 1 if you have the `snprintf' function. */
+#undef HAVE_SNPRINTF
+
+/* Define to 1 if you have the `sranddev' function. */
+#undef HAVE_SRANDDEV
+
+/* Define to 1 if you have the `strcasecmp' function. */
+#undef HAVE_STRCASECMP
+
+/* Define to 1 if you have the `strncasecmp' function. */
+#undef HAVE_STRNCASECMP
+
+/* Define to 1 if you have the `stricmp' function. */
+#undef HAVE_STRICMP
+
+/* Define to 1 if you have the `strnicmp' function. */
+#undef HAVE_STRNICMP
+
+/* Define to 1 if you have the <sstream> header file. */
+#undef HAVE_SSTREAM
+
+/* Define to 1 if you have the <stdint.h> header file. */
+#undef HAVE_STDINT_H
+
+/* Define to 1 if you have the <stdio.h> header file. */
+#undef HAVE_STDIO_H
+
+/* Define to 1 if you have the <stdlib.h> header file. */
+#undef HAVE_STDLIB_H
+
+/* Define to 1 if you have the <strings.h> header file. */
+#undef HAVE_STRINGS_H
+
+/* Define to 1 if you have the <string.h> header file. */
+#undef HAVE_STRING_H
+
+/* Define to 1 if you have the `strncasecmp' function. */
+#undef HAVE_STRNCASECMP
+
+/* Define to 1 if you have the <strstream> header file. */
+#undef HAVE_STRSTREAM
+
+/* Define to 1 if you have the <strstream.h> header file. */
+#undef HAVE_STRSTREAM_H
+
+/* Define to 1 if you have the <sys/stat.h> header file. */
+#undef HAVE_SYS_STAT_H
+
+/* Define to 1 if you have the <sys/time.h> header file. */
+#undef HAVE_SYS_TIME_H
+
+/* Define to 1 if you have the <sys/types.h> header file. */
+#undef HAVE_SYS_TYPES_H
+
+/* Define to 1 if you have the <time.h> header file. */
+#undef HAVE_TIME_H
+
+/* Define to 1 if you have the <unistd.h> header file. */
+#undef HAVE_UNISTD_H
+
+/* Define to 1 if you have the <zlib.h> header file. */
+#undef HAVE_ZLIB_H
+
+/* The file extension used for shared modules */
+#undef MODULE_EXTENSION
+
+/* Used to export symbols for DLL / shared library builds */
+#undef OBAPI
+
+/* Define to the address where bug reports for this package should be sent. */
+#undef PACKAGE_BUGREPORT
+
+/* Define to the full name of this package. */
+#undef PACKAGE_NAME
+
+/* Define to the full name and version of this package. */
+#undef PACKAGE_STRING
+
+/* Define to the one symbol short name of this package. */
+#undef PACKAGE_TARNAME
+
+/* Define to the version of this package. */
+#undef PACKAGE_VERSION
+
+/* set if scandir needs a const */
+#undef SCANDIR_CONST
+
+/* set if scandir needs a const */
+#undef SCANDIR_T
+
+/* Define to 1 if you have the ANSI C header files. */
+#undef STDC_HEADERS
+
+/* Define to 1 if you can safely include both <sys/time.h> and <time.h>. */
+#undef TIME_WITH_SYS_TIME
+
+/* Define to empty if `const' does not conform to ANSI C. */
+#undef const
+
+/* Define to `__inline__' or `__inline' if that's what the C compiler
+   calls it, or to nothing if 'inline' is not supported under any name.  */
+#ifndef __cplusplus
+#undef inline
+#endif