Skip to content

CI: use libtorch in wheels via USE_PT_PYTHON_LIBS #4720

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
wanghan-iapcm merged 2 commits into from
May 6, 2025
Merged

CI: use libtorch in wheels via USE_PT_PYTHON_LIBS #4720

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
932cabc
CI: use libtorch in wheels
njzjz May 1, 2025
a2e68d5
pin torch
njzjz May 1, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
7 changes: 1 addition & 6 deletions .github/workflows/build_cc.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -33,10 +33,7 @@ jobs:
- uses: lukka/get-cmake@latest
- run: python -m pip install uv
- run: source/install/uv_with_retry.sh pip install --system tensorflow
- name: Download libtorch
run: |
wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.1.2%2Bcpu.zip -O libtorch.zip
unzip libtorch.zip
- run: source/install/uv_with_retry.sh pip install --system 'torch==2.7' --index-url https://download.pytorch.org/whl/cpu
- run: |
wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2204/x86_64/cuda-keyring_1.0-1_all.deb \
&& sudo dpkg -i cuda-keyring_1.0-1_all.deb \
Expand All @@ -59,15 +56,13 @@ jobs:
&& sudo apt-get install -y rocm-dev hipcub-dev
if: matrix.variant == 'rocm'
- run: |
export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
source/install/build_cc.sh
env:
DP_VARIANT: ${{ matrix.dp_variant }}
DOWNLOAD_TENSORFLOW: "FALSE"
CMAKE_GENERATOR: Ninja
if: matrix.variant != 'clang'
- run: |
export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
source/install/build_cc.sh
env:
DP_VARIANT: cpu
Expand Down
4 changes: 1 addition & 3 deletions .github/workflows/codeql.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -41,8 +41,7 @@ jobs:
&& sudo apt-get update \
&& sudo apt-get -y install cuda-cudart-dev-12-2 cuda-nvcc-12-2
python -m pip install tensorflow
wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.1.2%2Bcpu.zip -O libtorch.zip
unzip libtorch.zip
python -m pip install 'torch==2.7' --index-url https://download.pytorch.org/whl/cpu
env:
DEBIAN_FRONTEND: noninteractive
# Initializes the CodeQL tools for scanning.
Expand All @@ -53,7 +52,6 @@ jobs:
queries: security-extended,security-and-quality
- name: "Run, Build Application using script"
run: |
export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
source/install/build_cc.sh
env:
DP_VARIANT: cuda
Expand Down
10 changes: 3 additions & 7 deletions .github/workflows/test_cc.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -32,18 +32,14 @@ jobs:
source/install/uv_with_retry.sh pip install --system tensorflow-cpu~=2.18.0 jax==0.5.0
export TENSORFLOW_ROOT=$(python -c 'import importlib,pathlib;print(pathlib.Path(importlib.util.find_spec("tensorflow").origin).parent)')
source/install/uv_with_retry.sh pip install --system -e .[cpu,test,lmp,jax] mpi4py
source/install/uv_with_retry.sh pip install --system 'torch==2.7' --index-url https://download.pytorch.org/whl/cpu
- name: Convert models
run: source/tests/infer/convert-models.sh
- name: Download libtorch
run: |
wget https://download.pytorch.org/libtorch/cpu/libtorch-cxx11-abi-shared-with-deps-2.7.0%2Bcpu.zip -O libtorch.zip
unzip libtorch.zip
# https://github.com/actions/runner-images/issues/9491
- name: Fix kernel mmap rnd bits
run: sudo sysctl vm.mmap_rnd_bits=28
if: ${{ matrix.check_memleak }}
- run: |
export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
source/install/test_cc_local.sh
env:
OMP_NUM_THREADS: 1
Expand All @@ -64,7 +60,7 @@ jobs:
TF_INTRA_OP_PARALLELISM_THREADS: 1
TF_INTER_OP_PARALLELISM_THREADS: 1
LAMMPS_PLUGIN_PATH: ${{ github.workspace }}/dp_test/lib/deepmd_lmp
LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib:${{ github.workspace }}/libtorch/lib
LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib
if: ${{ !matrix.check_memleak }}
# test ipi
- run: |
Expand All @@ -77,7 +73,7 @@ jobs:
OMP_NUM_THREADS: 1
TF_INTRA_OP_PARALLELISM_THREADS: 1
TF_INTER_OP_PARALLELISM_THREADS: 1
LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib:${{ github.workspace }}/libtorch/lib
LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib
if: ${{ !matrix.check_memleak }}
- uses: codecov/codecov-action@v5
env:
Expand Down
7 changes: 1 addition & 6 deletions .github/workflows/test_cuda.yml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -67,12 +67,7 @@ jobs:
XLA_PYTHON_CLIENT_ALLOCATOR: platform
- name: Convert models
run: source/tests/infer/convert-models.sh
- name: Download libtorch
run: |
wget https://download.pytorch.org/libtorch/cu126/libtorch-cxx11-abi-shared-with-deps-2.7.0%2Bcu126.zip -O libtorch.zip
unzip libtorch.zip
- run: |
export CMAKE_PREFIX_PATH=$GITHUB_WORKSPACE/libtorch
export LD_LIBRARY_PATH=$CUDA_PATH/lib64:/usr/lib/x86_64-linux-gnu/:$LD_LIBRARY_PATH
source/install/test_cc_local.sh
env:
Expand All @@ -84,7 +79,7 @@ jobs:
DP_VARIANT: cuda
DP_USE_MPICH2: 1
- run: |
export LD_LIBRARY_PATH=$CUDA_PATH/lib64:/usr/lib/x86_64-linux-gnu/:$GITHUB_WORKSPACE/dp_test/lib:$GITHUB_WORKSPACE/libtorch/lib:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH=$CUDA_PATH/lib64:/usr/lib/x86_64-linux-gnu/:$GITHUB_WORKSPACE/dp_test/lib:$LD_LIBRARY_PATH
export PATH=$GITHUB_WORKSPACE/dp_test/bin:$PATH
cp $GITHUB_WORKSPACE/source/build_tests/paddle_inference_install_dir/paddle/lib/* $GITHUB_WORKSPACE/dp_test/lib/
cp $GITHUB_WORKSPACE/source/build_tests/paddle_inference_install_dir/third_party/install/onednn/lib/* $GITHUB_WORKSPACE/dp_test/lib/
Expand Down
3 changes: 1 addition & 2 deletions doc/install/install-from-source.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -398,8 +398,7 @@ I assume you have installed the PyTorch (either Python or C++ interface) to `$to
cmake -DENABLE_PYTORCH=TRUE -DCMAKE_PREFIX_PATH=$torch_root -DCMAKE_INSTALL_PREFIX=$deepmd_root ..
```

You can specify `-DUSE_PT_PYTHON_LIBS=TRUE` to use libtorch from the Python installation,
but you need to be careful that [PyTorch PyPI packages are still built using `_GLIBCXX_USE_CXX11_ABI=0`](https://github.com/pytorch/pytorch/issues/51039), which may be not compatible with other libraries.
You can specify `-DUSE_PT_PYTHON_LIBS=TRUE` to use libtorch from the Python installation.

```bash
cmake -DENABLE_PYTORCH=TRUE -DUSE_PT_PYTHON_LIBS=TRUE -DCMAKE_INSTALL_PREFIX=$deepmd_root ..
Expand Down
1 change: 1 addition & 0 deletions source/install/build_cc.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,7 @@ cmake -D ENABLE_TENSORFLOW=ON \
-D ENABLE_PYTORCH=ON \
-D CMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} \
-D USE_TF_PYTHON_LIBS=TRUE \
-D USE_PT_PYTHON_LIBS=TRUE \
${CUDA_ARGS} \
-D LAMMPS_VERSION=stable_29Aug2024_update1 \
..
Expand Down
1 change: 1 addition & 0 deletions source/install/test_cc_local.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -25,6 +25,7 @@ cmake \
-D ENABLE_PADDLE=TRUE \
-D INSTALL_TENSORFLOW=FALSE \
-D USE_TF_PYTHON_LIBS=TRUE \
-D USE_PT_PYTHON_LIBS=TRUE \
-D CMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} \
-D BUILD_TESTING:BOOL=TRUE \
-D LAMMPS_VERSION=stable_29Aug2024_update1 \
Expand Down