Release v3.1.2 · deepmodeling/deepmd-kit

Today marks the 8th birthday of the deepmodeling/deepmd-kit repository!

What's Changed

feat(pt): add compression support for se_e3_tebd by @OutisLi in #4992
feat: Enhance process_systems to recursively search all paths in systems list by @OutisLi in #5033
feat(pt): type embedding can still be compress even if attn_layer != 0 by @OutisLi in #5066
feat(pt): Implement type embedding compression for se_atten by @OutisLi in #5057
feat(pt): Implement type embedding compression for se_e3_tebd by @OutisLi in #5059
feat(pt): Add support for SiLU activation function in gradient calculations by @OutisLi in #5055

fix: bump CMake minimum version to 3.25.2 by @Copilot in #5001
fix(cmake): improve CUDA C++ standard for compatibility with gcc-14 by @njzjz in #5036
fix: optimize atom type mapping by @OutisLi in #5043
fix(finetune): calculate fitting stat when using random fitting in finetuning process by @Chengqian-Zhang in #4928
fix(stat): Caculate correct fitting stat when using default fparam and using share fitting. by @Chengqian-Zhang in #5038
fix: set multiprocessing start method to 'fork' in pt env (since python3.14 defaults to forkserver) by @OutisLi in #5019
fix(jax): fix compatibility with flax 0.12 by @njzjz in #5067
Fix: model_output_type unify name by @anyangml in #5069
fix(pd): adapting code for hardware compatibility by @HydrogenSulfate in #5047

build: bump LAMMPS version to stable_22Jul2025_update2 by @Copilot in #5052
feat:support CUDA 13.0+ by @OutisLi in #5017
perf: accelerate data loading in training by @OutisLi in #5023
fix: remove hessian outdef if not necessary by @iProzd in #5045
feat: Performance Optimization: Data Loading and Statistics Acceleration by @OutisLi in #5040
build(deps-dev): update scikit-build-core requirement from !=0.6.0,<0.11,>=0.5 to >=0.5,!=0.6.0,<0.12 by @dependabot[bot] in #5076

feat(pt/test): add unit test for the compression of se_e3_tebd by @OutisLi in #5060
test(common): add regression for atom type remap by @OutisLi in #5050
CI: stop running Horovod tests by @njzjz in #5079
build(deps): bump pypa/cibuildwheel from 3.1 to 3.2 by @dependabot[bot] in #4996
CI: Replace the macos-13 images with the macos-15-intel images by @njzjz in #5002
build(deps): bump github/codeql-action from 3 to 4 by @dependabot[bot] in #5011
build(deps): bump astral-sh/setup-uv from 6 to 7 by @dependabot[bot] in #5012
build(deps): bump actions/download-artifact from 5 to 6 by @dependabot[bot] in #5025
build(deps): bump actions/upload-artifact from 4 to 5 by @dependabot[bot] in #5026
test: add TensorFlow graph reset in teardown method for entrypoint tests and bias standard tests by @OutisLi in #5049
feat(test): add unit test for the compression of se_atten by @OutisLi in #5058
build(deps): bump actions/checkout from 5 to 6 by @dependabot[bot] in #5063
build(deps): bump pypa/cibuildwheel from 3.2 to 3.3 by @dependabot[bot] in #5064
chore: manage CI pinnings in pyproject.toml by @njzjz in #5068
CI: configure dependabot to bump Python deps by @njzjz in #5072
CI: pin cibuildwheel TF/PT deps to global pinnings by @njzjz in #5071
CI: free disk in package_c workflow by @njzjz in #5081
build(deps-dev): update torch requirement from ~=2.7.0 to >=2.7,<2.9 by @dependabot[bot] in #5075
build(deps-dev): update tensorflow-cpu requirement from ~=2.18.0 to >=2.18,<2.21 by @dependabot[bot] in #5074

Full Changelog: v3.1.1...v3.1.2