| 1 |
< |
#define OOPSE_VERSION_MAJOR 3 |
| 1 |
> |
#define OOPSE_VERSION_MAJOR 4 |
| 2 |
|
#define OOPSE_VERSION_MINOR 0 |
| 3 |
< |
#define OOPSE_VERSION_TINY 1 |
| 3 |
> |
#define OOPSE_VERSION_TINY 0 |
| 4 |
|
/* The version of Open Babel */ |
| 5 |
< |
#define BABEL_VERSION "2.0.0rc1" |
| 5 |
> |
#define BABEL_VERSION "2.0.2" |
| 6 |
|
#define MK_STR(s) # s |
| 7 |
|
#define STR_DEFINE(t, s) t = MK_STR(s) |
| 8 |
|
/* The file extension used for shared modules */ |
| 9 |
|
#undef MODULE_EXTENSION |
| 10 |
|
|
| 11 |
+ |
/* Is defined if OOPSE should be compiled with single precision arithmetic. */ |
| 12 |
+ |
#undef SINGLE_PRECISION |
| 13 |
+ |
|
| 14 |
|
/* The CGAL version number. */ |
| 15 |
|
#undef CGAL_VERSION |
| 16 |
|
|
| 34 |
|
/* Is defined if the CGAL library is available. */ |
| 35 |
|
#undef HAVE_CGAL |
| 36 |
|
|
| 37 |
+ |
/* Is defined if the qhull library is available. */ |
| 38 |
+ |
#undef HAVE_QHULL |
| 39 |
+ |
|
| 40 |
|
/* Define to 1 if the system has the type `clock_t'. */ |
| 41 |
|
#undef HAVE_CLOCK_T |
| 42 |
|
|
| 52 |
|
/* Define to 1 if you have the <dlfcn.h> header file. */ |
| 53 |
|
#undef HAVE_DLFCN_H |
| 54 |
|
|
| 55 |
< |
/* Disable all FFTW (and thus Undulation Spectrum) support */ |
| 56 |
< |
#undef WITHOUT_FFTW |
| 55 |
> |
/* define if fftw3.h exists */ |
| 56 |
> |
#undef HAVE_FFTW3_H |
| 57 |
|
|
| 58 |
< |
/* Use the d prefix on fftw includes */ |
| 59 |
< |
#undef FFTW_NAME_DFFTW |
| 58 |
> |
/* define if fftw.h exists */ |
| 59 |
> |
#undef HAVE_FFTW_H |
| 60 |
|
|
| 61 |
< |
/* Dont use any prefix on fftw includes */ |
| 62 |
< |
#undef FFTW_NAME_FFTW |
| 57 |
< |
|
| 58 |
< |
/* Use the s prefix on fftw includes */ |
| 59 |
< |
#undef FFTW_NAME_SFFTW |
| 61 |
> |
/* define if dfftw.h exists */ |
| 62 |
> |
#undef HAVE_DFFTW_H |
| 63 |
|
|
| 64 |
|
/* Define to 1 if you have the `floor' function. */ |
| 65 |
|
#undef HAVE_FLOOR |
| 378 |
|
|
| 379 |
|
/* Define to `unsigned' if <sys/types.h> does not define. */ |
| 380 |
|
#undef size_t |
| 381 |
+ |
|
| 382 |
+ |
#ifdef SINGLE_PRECISION |
| 383 |
+ |
typedef float RealType; |
| 384 |
+ |
#ifdef IS_MPI |
| 385 |
+ |
#define MPI_REALTYPE MPI_FLOAT |
| 386 |
+ |
#endif |
| 387 |
+ |
#else |
| 388 |
+ |
typedef double RealType; |
| 389 |
+ |
#ifdef IS_MPI |
| 390 |
+ |
#define MPI_REALTYPE MPI_DOUBLE |
| 391 |
+ |
#endif |
| 392 |
+ |
#endif |
