#Workaround for cmake bug 13174. Replace deprecated options.
IF( CMAKE_C_COMPILER_ID MATCHES "Intel" )
+ if(BUILD_SHARED_LIBS)
+ STRING(REPLACE "/INCREMENTAL:YES" "" CMAKE_SHARED_LINKER_FLAGS ${CMAKE_SHARED_LINKER_FLAGS})
+ SET(CMAKE_SHARED_LINKER_FLAGS ${CMAKE_SHARED_LINKER_FLAGS} CACHE STRING "" FORCE)
+ endif()
STRING(REPLACE /GZ /RTC1 CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG})
SET(CMAKE_C_FLAGS_DEBUG ${CMAKE_C_FLAGS_DEBUG} CACHE STRING "" FORCE)
ENDIF()
* and 3 that no shifts could be applied. Negative numbers
* correspond to errors in the arguments provided.
*/
+GMX_LIBGMX_EXPORT
void
F77_FUNC(dsaupd,DSAUPD)(int * ido,
const char * bmat,
* \param lworkl Provide the same argument as you did to dsaupd()
* \param info Provide the same argument as you did to dsaupd()
*/
+GMX_LIBGMX_EXPORT
void
F77_FUNC(dseupd,DSEUPD)(int * rvec,
const char * howmny,
F77_FUNC(dsytrd,DSYTRD)(const char *uplo, int *n, double * a, int *lda, double *d,
double *e, double *tau, double *work, int *lwork, int *info);
+GMX_LIBGMX_EXPORT
void
F77_FUNC(dsyevr,DSYEVR)(const char *jobz, const char *range, const char *uplo, int *n,
double *a, int *lda, double *vl, double *vu, int *
* The string name is used to print to the log file and in a fatal error
* if the val's don't match.
*/
-
+GMX_LIBGMX_EXPORT
void init_multisystem(t_commrec *cr, int nsim, char **multidirs,
int nfile, const t_filenm fnm[], gmx_bool bParFn);
/* Splits the communication into nsim separate simulations
real cuberoot (real a);
GMX_LIBGMX_EXPORT
double gmx_erfd(double x);
+GMX_LIBGMX_EXPORT
double gmx_erfcd(double x);
GMX_LIBGMX_EXPORT
float gmx_erff(float x);
typedef struct gmx_ana_nbsearch_t gmx_ana_nbsearch_t;
/** Create a new neighborhood search data structure. */
+GMX_LIBGMX_EXPORT
int
gmx_ana_nbsearch_create(gmx_ana_nbsearch_t **d, real cutoff, int maxn);
/** Free memory allocated for neighborhood search. */
int
gmx_ana_nbsearch_init(gmx_ana_nbsearch_t *d, t_pbc *pbc, int n, rvec x[]);
/** Initializes neighborhood search for a frame using \c gmx_ana_pos_t. */
+GMX_LIBGMX_EXPORT
int
gmx_ana_nbsearch_pos_init(gmx_ana_nbsearch_t *d, t_pbc *pbc,
struct gmx_ana_pos_t *p);
real
gmx_ana_nbsearch_mindist(gmx_ana_nbsearch_t *d, rvec x);
/** Calculates the minimun distance from the reference points. */
+GMX_LIBGMX_EXPORT
real
gmx_ana_nbsearch_pos_mindist(gmx_ana_nbsearch_t *d,
struct gmx_ana_pos_t *p, int i);
void gmx_sumf_sim(int nr,float r[],const gmx_multisim_t *ms);
/* Calculate the sum over the simulations of an array of floats */
+GMX_LIBGMX_EXPORT
void gmx_sumd_sim(int nr,double r[],const gmx_multisim_t *ms);
/* Calculate the sum over the simulations of an array of doubles */
int
gmx_ana_add_flags(gmx_ana_traj_t *d, unsigned long flags);
/** Sets the number of reference groups required. */
+GMX_LIBGMX_EXPORT
int
gmx_ana_set_nrefgrps(gmx_ana_traj_t *d, int nrefgrps);
/** Sets the number of analysis groups required. */
int
gmx_ana_get_nanagrps(gmx_ana_traj_t *d, int *nanagrps);
/** Gets the selection object for a reference selection. */
+GMX_LIBGMX_EXPORT
int
gmx_ana_get_refsel(gmx_ana_traj_t *d, int i, gmx_ana_selection_t **sel);
/** Gets the selection object for a reference selection. */
OPTIONS ${_os_def}
RELWITHDEBINFO -g
DEBUG -g -D_DEBUG_=1 )
+#Because this is a static library linked into the (potential) shared library
+#it should have the export of the shared library.
+SET_TARGET_PROPERTIES(gpu_utils PROPERTIES DEFINE_SYMBOL "gmx_EXPORTS" )
CUDA_BUILD_CLEAN_TARGET()
#include "gmxcomplex.h"
#include "gmx_fft.h"
-#ifndef GMX_LIB_MPI
+#ifndef GMX_MPI
double MPI_Wtime();
#endif
OPTIONS
RELWITHDEBINFO -g
DEBUG -g -D_DEBUG_=1)
+ #Because this is a static library linked into the (potential) shared library
+ #it should have the export of the shared library.
+ SET_TARGET_PROPERTIES(nbnxn_cuda PROPERTIES DEFINE_SYMBOL "md_EXPORTS" )
endif()