| 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 */ |
| 375 |
|
|
| 376 |
|
/* Define to `unsigned' if <sys/types.h> does not define. */ |
| 377 |
|
#undef size_t |
| 378 |
+ |
|
| 379 |
+ |
#ifdef SINGLE_PRECISION |
| 380 |
+ |
typedef float RealType; |
| 381 |
+ |
#ifdef IS_MPI |
| 382 |
+ |
#define MPI_REALTYPE MPI_FLOAT |
| 383 |
+ |
#endif |
| 384 |
+ |
#else |
| 385 |
+ |
typedef double RealType; |
| 386 |
+ |
#ifdef IS_MPI |
| 387 |
+ |
#define MPI_REALTYPE MPI_DOUBLE |
| 388 |
+ |
#endif |
| 389 |
+ |
#endif |
