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fix(lammps): register built-in KOKKOS styles #6054

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fix(lammps): register built-in KOKKOS styles #6054

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3 changes: 3 additions & 0 deletions source/lmp/builtin.cmake
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Original file line number Diff line number Diff line change
Expand Up @@ -78,3 +78,6 @@ target_compile_definitions(
# register styles
registerstyles(${CMAKE_CURRENT_LIST_DIR})
generatestyleheaders(${LAMMPS_STYLE_HEADERS_DIR})
if(COMMAND generatestylesources)
generatestylesources(${LAMMPS_STYLE_HEADERS_DIR})
endif()
18 changes: 10 additions & 8 deletions source/lmp/pair_deepmd_kokkos.h
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Original file line number Diff line number Diff line change
@@ -1,19 +1,21 @@
// SPDX-License-Identifier: LGPL-3.0-or-later
// The device pair style is available when the LAMMPS Kokkos package is enabled.
#ifdef LMP_KOKKOS

#ifndef LAMMPS_VERSION_NUMBER
#error Please define LAMMPS_VERSION_NUMBER to yyyymmdd
#endif

#ifdef PAIR_CLASS
#ifdef LMP_KOKKOS
// clang-format off
PairStyle(deepmd/kk,PairDeepMDKokkos<LMPDeviceType>);
PairStyle(deepmd/kk/device,PairDeepMDKokkos<LMPDeviceType>);
PairStyle(deepmd/kk/host,PairDeepMDKokkos<LMPHostType>);
// clang-format on
#endif
#else

#ifdef LMP_KOKKOS

#ifndef LAMMPS_VERSION_NUMBER
#error Please define LAMMPS_VERSION_NUMBER to yyyymmdd
#endif

#ifndef LMP_PAIR_DEEPMD_KOKKOS_H
#define LMP_PAIR_DEEPMD_KOKKOS_H

Expand Down Expand Up @@ -129,6 +131,6 @@ class PairDeepMDKokkos : public PairDeepMD, public KokkosBase {
} // namespace LAMMPS_NS

#endif
#endif

#endif // LMP_KOKKOS

#endif
18 changes: 10 additions & 8 deletions source/lmp/pair_dpa4spin_kokkos.h
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Original file line number Diff line number Diff line change
@@ -1,19 +1,21 @@
// SPDX-License-Identifier: LGPL-3.0-or-later
// The device pair style is available when the LAMMPS Kokkos package is enabled.
#ifdef LMP_KOKKOS

#ifndef LAMMPS_VERSION_NUMBER
#error Please define LAMMPS_VERSION_NUMBER to yyyymmdd
#endif

#ifdef PAIR_CLASS
#ifdef LMP_KOKKOS
// clang-format off
PairStyle(dpa4spin/kk,PairDPA4SpinKokkos<LMPDeviceType>);
PairStyle(dpa4spin/kk/device,PairDPA4SpinKokkos<LMPDeviceType>);
PairStyle(dpa4spin/kk/host,PairDPA4SpinKokkos<LMPHostType>);
// clang-format on
#endif
#else

#ifdef LMP_KOKKOS

#ifndef LAMMPS_VERSION_NUMBER
#error Please define LAMMPS_VERSION_NUMBER to yyyymmdd
#endif

#ifndef LMP_PAIR_DPA4SPIN_KOKKOS_H
#define LMP_PAIR_DPA4SPIN_KOKKOS_H

Expand Down Expand Up @@ -118,6 +120,6 @@ class PairDPA4SpinKokkos : public PairDPA4Spin, public KokkosBase {
} // namespace LAMMPS_NS

#endif
#endif

#endif // LMP_KOKKOS

#endif