add universal Python inference interface DeepPot #3164
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Signed-off-by: Jinzhe Zeng <[email protected]>
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| @@ -26,6 +26,7 @@ | |||
| from deepmd.utils.sess import ( | |||
| run_sess, | |||
| ) | |||
| from deepmd_utils.infer.deep_pot import DeepPot as DeepPotBase | |||
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AI is not always reliable.. Signed-off-by: Jinzhe Zeng <[email protected]>
| if cls is DeepPot: | ||
| backend = detect_backend(model_file) | ||
| if backend == DPBackend.TensorFlow: | ||
| from deepmd.infer.deep_pot import DeepPot as DeepPotTF |
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Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## devel #3164 +/- ##
==========================================
- Coverage 76.06% 76.06% -0.01%
==========================================
Files 277 280 +3
Lines 25603 25644 +41
Branches 1591 1591
==========================================
+ Hits 19476 19507 +31
- Misses 5203 5213 +10
Partials 924 924 ☔ View full report in Codecov by Sentry. |
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
wanghan-iapcm
approved these changes
Jan 24, 2024
wanghan-iapcm
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Jan 24, 2024
iProzd
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Jan 24, 2024
* 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 <[email protected]> * 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 <[email protected]> * add universal Python inference interface DeepPot (deepmodeling#3164) Need discussion for other classes. --------- Signed-off-by: Jinzhe Zeng <[email protected]> * 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 <[email protected]> --------- Signed-off-by: Jinzhe Zeng <[email protected]> Co-authored-by: Denghui Lu <[email protected]> Co-authored-by: Jinzhe Zeng <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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Need discussion for other classes.