Fix max nbor size related issues #3157
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #3157 +/- ##
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+ Coverage 76.05% 76.06% +0.01%
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Files 276 277 +1
Lines 25586 25603 +17
Branches 1591 1591
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+ Hits 19460 19476 +16
- Misses 5202 5203 +1
Partials 924 924 ☔ View full report in Codecov by Sentry. |
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* Fix max nbor size related issues (deepmodeling#3157) * Merge master into devel (deepmodeling#3167) * [pre-commit.ci] pre-commit autoupdate (deepmodeling#3163) <!--pre-commit.ci start--> updates: - [github.com/astral-sh/ruff-pre-commit: v0.1.13 → v0.1.14](astral-sh/ruff-pre-commit@v0.1.13...v0.1.14) <!--pre-commit.ci end--> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * setup PyTorch C++ interface build environement (deepmodeling#3169) See deepmodeling#3120. - CMake: add `ENABLE_TENSORFLOW` and `ENABLE_PYTORCH`. `BUILD_TENSORFLOW` will be enabled when `TENSORFLOW_ROOT` is not empty or `USE_TF_PYTHON_LIBS` is on. - api_cc: add `BUILD_TENSORFLOW` and `BUILD_PYTORCH` defination. Move several functions from `common.h` to `commonTF.h` to prevent exposing them to header files. - CI: download libtorch in the build/test CC actions. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * docs: add TF icons to platform-specific features (deepmodeling#3171) Fix deepmodeling#3121. The PyTorch icon can be added when a feature implemented by PyTorch is added. However, I can't find a way to add an icon to TOC.  Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * add universal Python inference interface DeepPot (deepmodeling#3164) Need discussion for other classes. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * detect version in advance before building deepmd-kit-cu11 (deepmodeling#3172) Fix deepmodeling#3168. See: pypa/setuptools-scm#1006 (comment) --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: Denghui Lu <denghuilu@pku.edu.cn> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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max_nbor_size may be changed after
_prepare_coord_nlist_gpu. So we need to update the uint64_temp tensor if necessary.