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setup PyTorch C++ interface build environement #3169

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merged 8 commits into from
Jan 24, 2024

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@njzjz njzjz commented Jan 23, 2024

See #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>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz added this to the v3.0.0 milestone Jan 23, 2024
@github-actions github-actions bot added the C++ label Jan 23, 2024
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Jan 23, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (138ffef) 76.06% compared to head (82e0676) 76.06%.
Report is 1 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #3169   +/-   ##
=======================================
  Coverage   76.06%   76.06%           
=======================================
  Files         277      277           
  Lines       25603    25603           
  Branches     1591     1591           
=======================================
  Hits        19476    19476           
  Misses       5203     5203           
  Partials      924      924           

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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@github-actions github-actions bot added the Docs label Jan 23, 2024
@njzjz njzjz added the build label Jan 24, 2024
@wanghan-iapcm wanghan-iapcm merged commit dd53e07 into deepmodeling:devel Jan 24, 2024
48 checks passed
iProzd added a commit to iProzd/deepmd-kit that referenced this pull request 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 <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.


![image](https://github.com/deepmodeling/deepmd-kit/assets/9496702/7f29da27-af81-4850-9da0-79310d216b2d)

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>
@njzjz njzjz mentioned this pull request Apr 2, 2024
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