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added kokkos functinos to the list of functions registered for ML-IAP

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Matt Bettencourt
2023-02-13 17:07:32 +01:00
parent 2542778fa8
commit fc0efd43fc
1 changed files with 21 additions and 0 deletions
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21
src/PYTHON/python_impl.cpp
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@ -35,6 +35,17 @@
// However, that exposes -too many- headers.
#include "mliap_model_python_couple.h"
#include "mliap_unified_couple.h"
#ifdef LMP_KOKKOS
#include "mliap_model_python_kokkos.h"
#include "mliap_unified_kokkos.h"
// The above should somehow really be included in the next file.
// We could get around this with cython --capi-reexport-cincludes
// However, that exposes -too many- headers.
#include "mliap_model_python_couple_kokkos.h"
#include "mliap_unified_couple_kokkos.h"
#endif
#endif
using namespace LAMMPS_NS;
@ -71,6 +82,16 @@ PythonImpl::PythonImpl(LAMMPS *lmp) : Pointers(lmp)
err = PyImport_AppendInittab("mliap_unified_couple", PyInit_mliap_unified_couple);
if (err) error->all(FLERR, "Could not register MLIAPPY unified embedded python module.");
#ifdef LMP_KOKKOS
// Inform python intialization scheme of the mliappy module.
// This -must- happen before python is initialized.
err = PyImport_AppendInittab("mliap_model_python_couple_kokkos", PyInit_mliap_model_python_couple_kokkos);
if (err) error->all(FLERR, "Could not register MLIAPPY embedded python module.");
err = PyImport_AppendInittab("mliap_unified_couple_kokkos", PyInit_mliap_unified_couple_kokkos);
if (err) error->all(FLERR, "Could not register MLIAPPY unified embedded python module.");
#endif
#endif
Py_Initialize();