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root/group/trunk/OOPSE-4/src/config.h.in
Revision: 3319
Committed: Wed Jan 23 03:45:33 2008 UTC (16 years, 7 months ago) by gezelter
File size: 10200 byte(s)
Log Message:
Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

File Contents

# User Rev Content
1 gezelter 2970 #define OOPSE_VERSION_MAJOR 4
2     #define OOPSE_VERSION_MINOR 0
3 gezelter 2768 #define OOPSE_VERSION_TINY 0
4 gezelter 2451 #define MK_STR(s) # s
5     #define STR_DEFINE(t, s) t = MK_STR(s)
6 gezelter 2559 /* The file extension used for shared modules */
7     #undef MODULE_EXTENSION
8 gezelter 2451
9 gezelter 2757 /* Is defined if OOPSE should be compiled with single precision arithmetic. */
10     #undef SINGLE_PRECISION
11    
12 chuckv 3283 /* The CGAL version number. */
13     #undef CGAL_VERSION
14    
15 gezelter 2559 /* Define to dummy `main' function (if any) required to link to the Fortran
16     libraries. */
17     #undef FC_DUMMY_MAIN
18    
19     /* Define if F77 and FC dummy `main' functions are identical. */
20     #undef FC_DUMMY_MAIN_EQ_F77
21    
22 gezelter 1490 /* Define to a macro mangling the given C identifier (in lower and upper
23 gezelter 2559 case), which must not contain underscores, for linking with Fortran. */
24 gezelter 2547 #undef FC_FUNC
25 gezelter 1490
26 gezelter 2559 /* As FC_FUNC, but for C identifiers containing underscores. */
27 gezelter 2547 #undef FC_FUNC_
28 gezelter 1490
29 gezelter 2559 /* define if fstream::open() accepts third parameter. */
30     #undef FSTREAM_OPEN_PROT
31 gezelter 1490
32 chuckv 3283 /* Is defined if the CGAL library is available. */
33     #undef HAVE_CGAL
34    
35 chuckv 3289 /* Is defined if the qhull library is available. */
36     #undef HAVE_QHULL
37    
38 gezelter 2451 /* Define to 1 if the system has the type `clock_t'. */
39     #undef HAVE_CLOCK_T
40    
41 gezelter 2559 /* Define to 1 if you have the <cmath> header file. */
42     #undef HAVE_CMATH
43    
44 gezelter 2451 /* Define to 1 if you have the <conio.h> header file. */
45     #undef HAVE_CONIO_H
46    
47     /* Define to 1 if you have the <ctype.h> header file. */
48     #undef HAVE_CTYPE_H
49    
50     /* Define to 1 if you have the <dlfcn.h> header file. */
51     #undef HAVE_DLFCN_H
52    
53 gezelter 2753 /* define if fftw3.h exists */
54     #undef HAVE_FFTW3_H
55 gezelter 2752
56 gezelter 2753 /* define if fftw.h exists */
57     #undef HAVE_FFTW_H
58 gezelter 2752
59 gezelter 2753 /* define if dfftw.h exists */
60     #undef HAVE_DFFTW_H
61 gezelter 2752
62 gezelter 2559 /* Define to 1 if you have the `floor' function. */
63     #undef HAVE_FLOOR
64    
65 gezelter 2451 /* Define to 1 if you have the <fstream> header file. */
66     #undef HAVE_FSTREAM
67    
68 gezelter 2559 /* define if we have fstream::attach(). */
69     #undef HAVE_FSTREAM_ATTACH
70    
71 gezelter 2451 /* Define to 1 if you have the <fstream.h> header file. */
72     #undef HAVE_FSTREAM_H
73    
74 gezelter 2559 /* define if we have fstream::open(). */
75     #undef HAVE_FSTREAM_OPEN
76 gezelter 2451
77 gezelter 2559 /* Define to 1 if you have the <getopt.h> header file. */
78     #undef HAVE_GETOPT_H
79    
80     /* Define to 1 if you have the `getopt_long' function. */
81     #undef HAVE_GETOPT_LONG
82    
83     /* Define to 1 if you have the `getpagesize' function. */
84     #undef HAVE_GETPAGESIZE
85    
86     /* Define to 1 if you have the `getsysinfo' function. */
87     #undef HAVE_GETSYSINFO
88    
89     /* Define to 1 if you have the `gettimeofday' function. */
90     #undef HAVE_GETTIMEOFDAY
91    
92 gezelter 2451 /* Define to 1 if you have the <inttypes.h> header file. */
93     #undef HAVE_INTTYPES_H
94    
95 gezelter 2559 /* Define to 1 if you have the <iomanip> header file. */
96     #undef HAVE_IOMANIP
97    
98     /* Define to 1 if you have the <iomanip.h> header file. */
99     #undef HAVE_IOMANIP_H
100    
101 gezelter 2451 /* Define to 1 if you have the <iostream> header file. */
102     #undef HAVE_IOSTREAM
103    
104     /* Define to 1 if you have the <iostream.h> header file. */
105     #undef HAVE_IOSTREAM_H
106    
107 gezelter 2559 /* Define to 1 if you have the <libintl.h> header file. */
108     #undef HAVE_LIBINTL_H
109    
110 gezelter 2451 /* Define to 1 if you have the `m' library (-lm). */
111     #undef HAVE_LIBM
112    
113     /* Define to 1 if you have the `z' library (-lz). */
114     #undef HAVE_LIBZ
115    
116 gezelter 2559 /* Define to 1 if you have the <limits.h> header file. */
117     #undef HAVE_LIMITS_H
118    
119     /* Define to 1 if you have the <machine/hal_sysinfo.h> header file. */
120     #undef HAVE_MACHINE_HAL_SYSINFO_H
121    
122     /* Define to 1 if your system has a GNU libc compatible `malloc' function, and
123     to 0 otherwise. */
124     #undef HAVE_MALLOC
125    
126 gezelter 2451 /* Define to 1 if you have the <math.h> header file. */
127     #undef HAVE_MATH_H
128    
129 gezelter 2559 /* Define to 1 if you have the `memchr' function. */
130     #undef HAVE_MEMCHR
131    
132     /* Define to 1 if you have the `memmove' function. */
133     #undef HAVE_MEMMOVE
134    
135 gezelter 2451 /* Define to 1 if you have the <memory.h> header file. */
136     #undef HAVE_MEMORY_H
137    
138 gezelter 2559 /* Define to 1 if you have the `memset' function. */
139     #undef HAVE_MEMSET
140    
141     /* have mpif.h */
142     #undef HAVE_MPIF_H
143    
144     /* have mpi.h */
145     #undef HAVE_MPI_H
146    
147     /* define if the compiler implements namespaces */
148     #undef HAVE_NAMESPACES
149    
150     /* Define to 1 if you have the `pow' function. */
151     #undef HAVE_POW
152    
153     /* Define to 1 if you have the `pstat_getdynamic' function. */
154     #undef HAVE_PSTAT_GETDYNAMIC
155    
156     /* Define to 1 if you have the `pstat_getstatic' function. */
157     #undef HAVE_PSTAT_GETSTATIC
158    
159     /* Define to 1 if your system has a GNU libc compatible `realloc' function,
160     and to 0 otherwise. */
161     #undef HAVE_REALLOC
162    
163 gezelter 2451 /* Define to 1 if you have the `rint' function. */
164     #undef HAVE_RINT
165    
166 gezelter 2559 /* Define to 1 if you have the `select' function. */
167     #undef HAVE_SELECT
168    
169 gezelter 2451 /* Define to 1 if you have the `snprintf' function. */
170     #undef HAVE_SNPRINTF
171    
172 gezelter 2559 /* Define to 1 if you have the `sqrt' function. */
173     #undef HAVE_SQRT
174    
175 gezelter 2451 /* Define to 1 if you have the `sranddev' function. */
176     #undef HAVE_SRANDDEV
177    
178 gezelter 2559 /* Define to 1 if you have the <sstream> header file. */
179     #undef HAVE_SSTREAM
180 gezelter 2510
181 gezelter 2559 /* Define to 1 if stdbool.h conforms to C99. */
182     #undef HAVE_STDBOOL_H
183 gezelter 2510
184 gezelter 2559 /* Define to 1 if you have the <stddef.h> header file. */
185     #undef HAVE_STDDEF_H
186 gezelter 2510
187 gezelter 2451 /* Define to 1 if you have the <stdint.h> header file. */
188     #undef HAVE_STDINT_H
189    
190     /* Define to 1 if you have the <stdio.h> header file. */
191     #undef HAVE_STDIO_H
192    
193     /* Define to 1 if you have the <stdlib.h> header file. */
194     #undef HAVE_STDLIB_H
195    
196 gezelter 2559 /* define if C++ iostream is in namespace std. */
197     #undef HAVE_STD_IOSTREAM
198    
199     /* define if C++ Standard Template Library is in namespace std */
200     #undef HAVE_STD_STL
201    
202     /* define if the compiler supports Standard Template Library */
203     #undef HAVE_STL
204    
205     /* Define to 1 if you have the `strcasecmp' function. */
206     #undef HAVE_STRCASECMP
207    
208     /* Define to 1 if you have the `strchr' function. */
209     #undef HAVE_STRCHR
210    
211     /* Define to 1 if you have the `strdup' function. */
212     #undef HAVE_STRDUP
213    
214     /* Define to 1 if you have the `strftime' function. */
215     #undef HAVE_STRFTIME
216    
217     /* Define to 1 if you have the `stricmp' function. */
218     #undef HAVE_STRICMP
219    
220 gezelter 2451 /* Define to 1 if you have the <strings.h> header file. */
221     #undef HAVE_STRINGS_H
222    
223     /* Define to 1 if you have the <string.h> header file. */
224     #undef HAVE_STRING_H
225    
226     /* Define to 1 if you have the `strncasecmp' function. */
227     #undef HAVE_STRNCASECMP
228    
229 gezelter 2559 /* Define to 1 if you have the `strnicmp' function. */
230     #undef HAVE_STRNICMP
231    
232     /* Define to 1 if you have the `strrchr' function. */
233     #undef HAVE_STRRCHR
234    
235     /* Define to 1 if you have the `strstr' function. */
236     #undef HAVE_STRSTR
237    
238 gezelter 2451 /* Define to 1 if you have the <strstream> header file. */
239     #undef HAVE_STRSTREAM
240    
241     /* Define to 1 if you have the <strstream.h> header file. */
242     #undef HAVE_STRSTREAM_H
243    
244 gezelter 2559 /* Define to 1 if you have the `strtol' function. */
245     #undef HAVE_STRTOL
246    
247     /* Define to 1 if you have the `sysctl' function. */
248     #undef HAVE_SYSCTL
249    
250     /* Define to 1 if you have the `sysmp' function. */
251     #undef HAVE_SYSMP
252    
253     /* Define to 1 if you have the <sys/param.h> header file. */
254     #undef HAVE_SYS_PARAM_H
255    
256     /* Define to 1 if you have the <sys/pstat.h> header file. */
257     #undef HAVE_SYS_PSTAT_H
258    
259     /* Define to 1 if you have the <sys/select.h> header file. */
260     #undef HAVE_SYS_SELECT_H
261    
262     /* Define to 1 if you have the <sys/socket.h> header file. */
263     #undef HAVE_SYS_SOCKET_H
264    
265 gezelter 2451 /* Define to 1 if you have the <sys/stat.h> header file. */
266     #undef HAVE_SYS_STAT_H
267    
268 gezelter 2559 /* Define to 1 if you have the <sys/sysctl.h> header file. */
269     #undef HAVE_SYS_SYSCTL_H
270    
271     /* Define to 1 if you have the <sys/sysinfo.h> header file. */
272     #undef HAVE_SYS_SYSINFO_H
273    
274     /* Define to 1 if you have the <sys/sysmp.h> header file. */
275     #undef HAVE_SYS_SYSMP_H
276    
277     /* Define to 1 if you have the <sys/systemcfg.h> header file. */
278     #undef HAVE_SYS_SYSTEMCFG_H
279    
280     /* Define to 1 if you have the <sys/table.h> header file. */
281     #undef HAVE_SYS_TABLE_H
282    
283 gezelter 2451 /* Define to 1 if you have the <sys/time.h> header file. */
284     #undef HAVE_SYS_TIME_H
285    
286     /* Define to 1 if you have the <sys/types.h> header file. */
287     #undef HAVE_SYS_TYPES_H
288    
289 gezelter 2559 /* Define to 1 if you have the `table' function. */
290     #undef HAVE_TABLE
291    
292 gezelter 2451 /* Define to 1 if you have the <time.h> header file. */
293     #undef HAVE_TIME_H
294    
295     /* Define to 1 if you have the <unistd.h> header file. */
296     #undef HAVE_UNISTD_H
297    
298     /* Define to 1 if you have the <zlib.h> header file. */
299     #undef HAVE_ZLIB_H
300    
301 gezelter 2559 /* Define to 1 if the system has the type `_Bool'. */
302     #undef HAVE__BOOL
303 gezelter 2451
304 gezelter 2559 /* Define if you have the _system_configuration variable. */
305     #undef HAVE__SYSTEM_CONFIGURATION
306    
307 gezelter 2451 /* Used to export symbols for DLL / shared library builds */
308     #undef OBAPI
309    
310     /* Define to the address where bug reports for this package should be sent. */
311     #undef PACKAGE_BUGREPORT
312    
313     /* Define to the full name of this package. */
314     #undef PACKAGE_NAME
315    
316     /* Define to the full name and version of this package. */
317     #undef PACKAGE_STRING
318    
319     /* Define to the one symbol short name of this package. */
320     #undef PACKAGE_TARNAME
321    
322     /* Define to the version of this package. */
323     #undef PACKAGE_VERSION
324    
325 gezelter 2559 /* Path to ps program */
326     #undef PSCOMMAND
327 gezelter 2451
328 gezelter 2559 /* ps uses BSD-style arguments */
329     #undef PSTYPE_IS_BSD
330 gezelter 2451
331 gezelter 2559 /* ps uses POSIX-style arguments */
332     #undef PSTYPE_IS_POSIX
333    
334     /* Define to the type of arg 1 for `select'. */
335     #undef SELECT_TYPE_ARG1
336    
337     /* Define to the type of args 2, 3 and 4 for `select'. */
338     #undef SELECT_TYPE_ARG234
339    
340     /* Define to the type of arg 5 for `select'. */
341     #undef SELECT_TYPE_ARG5
342    
343 gezelter 2451 /* Define to 1 if you have the ANSI C header files. */
344     #undef STDC_HEADERS
345    
346     /* Define to 1 if you can safely include both <sys/time.h> and <time.h>. */
347     #undef TIME_WITH_SYS_TIME
348    
349 gezelter 2559 /* needed by DEC/Compaq/HP cxx to activate ANSI standard iostream. */
350     #undef __USE_STD_IOSTREAM
351    
352     /* Define to __FUNCTION__ or "" if `__func__' does not conform to ANSI C. */
353     #undef __func__
354    
355 gezelter 2451 /* Define to empty if `const' does not conform to ANSI C. */
356     #undef const
357    
358 gezelter 2559 /* Code compiled in debug mode */
359     #undef debug
360    
361 gezelter 2451 /* Define to `__inline__' or `__inline' if that's what the C compiler
362     calls it, or to nothing if 'inline' is not supported under any name. */
363     #ifndef __cplusplus
364     #undef inline
365     #endif
366 gezelter 2559
367     /* Define to rpl_malloc if the replacement function should be used. */
368     #undef malloc
369    
370     /* Define to rpl_realloc if the replacement function should be used. */
371     #undef realloc
372    
373     /* Define to equivalent of C99 restrict keyword, or to nothing if this is not
374     supported. Do not define if restrict is supported directly. */
375     #undef restrict
376    
377     /* Define to `unsigned' if <sys/types.h> does not define. */
378     #undef size_t
379 tim 2759
380     #ifdef SINGLE_PRECISION
381     typedef float RealType;
382     #ifdef IS_MPI
383     #define MPI_REALTYPE MPI_FLOAT
384     #endif
385     #else
386     typedef double RealType;
387     #ifdef IS_MPI
388     #define MPI_REALTYPE MPI_DOUBLE
389     #endif
390     #endif