[pull] master from deepmodeling:master - #318
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## Summary Backport `0005-share-lammps-kokkos-runtime.patch` from `conda-forge/deepmd-kit-feedstock@d02138263b0b30629fe28c68c8bcecc2b8644513`. A runtime LAMMPS plugin should reuse the Kokkos runtime already linked into `liblammps`. Linking `Kokkos::kokkos` again can create a second CUDA/Kokkos runtime instance and corrupt shutdown state when the plugin unloads. Import the Kokkos include paths, compile definitions/options/features, and link options needed for device compilation while leaving runtime Kokkos symbols to `liblammps`; retain the CUDA and `LIBDL` helper targets when available. ## Validation - Single-file backport matching the feedstock patch. - Split from #5985 so the runtime-linking change can be reviewed independently. - Full build/runtime validation is left to upstream CI. Agent: ChatGPT Model: GPT-5.6 Sol <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit * **Bug Fixes** * Improved Kokkos plugin build configuration by correctly inheriting required include paths, compiler settings, and linker options. * Added conditional support for CUDA and dynamic loading capabilities when available. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
## Summary Backport `0002-support-lammps-2025-kokkos-api.patch` from `conda-forge/deepmd-kit-feedstock@d02138263b0b30629fe28c68c8bcecc2b8644513`. Support both the LAMMPS 22Jul2025 Kokkos API and newer LAMMPS releases by selecting the appropriate reverse-communication buffer and per-atom energy accumulator types from `LAMMPS_VERSION_NUMBER`. ## Validation - Four-file backport matching the feedstock patch. - Split from #5985 so the compatibility change can be reviewed independently. - Full build is left to upstream CI. Agent: ChatGPT Model: GPT-5.6 Sol <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Compatibility** - Improved support across multiple LAMMPS versions for Kokkos-based DeepMD and DPA-4-spin simulations. - Updated reverse communication and per-atom energy handling to use version-compatible data formats. - **Bug Fixes** - Resolved compatibility issues that could affect reverse communication and energy accumulation across LAMMPS releases. - Preserved existing force, magnetic-force, and virial calculation behavior. <!-- end of auto-generated comment: release notes by coderabbit.ai -->
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