优化RepFlowLayer和SiLUT的内存使用，简化计算过程；在SOGKSpace中移除冗余的virial计算，改用解析傅里叶形式 #50
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| on: | |
| push: | |
| branches-ignore: | |
| - "gh-readonly-queue/**" | |
| - "copilot/**" | |
| - "dependabot/**" | |
| - "pre-commit-ci-update-config" | |
| pull_request: | |
| merge_group: | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref || github.run_id }} | |
| cancel-in-progress: true | |
| name: Test C++ | |
| jobs: | |
| testcc: | |
| name: Test C++ | |
| runs-on: ubuntu-22.04 | |
| strategy: | |
| matrix: | |
| include: | |
| - check_memleak: true | |
| enable_tensorflow: true | |
| enable_pytorch: true | |
| enable_paddle: false | |
| - check_memleak: true | |
| enable_tensorflow: false | |
| enable_pytorch: false | |
| enable_paddle: true | |
| - check_memleak: false | |
| enable_tensorflow: true | |
| enable_pytorch: true | |
| enable_paddle: false | |
| - check_memleak: false | |
| enable_tensorflow: false | |
| enable_pytorch: false | |
| enable_paddle: true | |
| steps: | |
| - uses: actions/checkout@v6 | |
| - uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.11" | |
| cache: "pip" | |
| - uses: lukka/get-cmake@latest | |
| - run: python -m pip install uv | |
| - name: Install Python dependencies | |
| run: | | |
| source/install/uv_with_retry.sh pip install --system --group pin_tensorflow_cpu --group pin_pytorch_cpu --group pin_jax --torch-backend cpu | |
| export TENSORFLOW_ROOT=$(python -c 'import importlib.util,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 mpich | |
| - name: Convert models | |
| run: source/tests/infer/convert-models.sh | |
| # 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: | | |
| source/install/test_cc_local.sh | |
| env: | |
| OMP_NUM_THREADS: 1 | |
| TF_INTRA_OP_PARALLELISM_THREADS: 1 | |
| TF_INTER_OP_PARALLELISM_THREADS: 1 | |
| CMAKE_GENERATOR: Ninja | |
| CXXFLAGS: ${{ matrix.check_memleak && '-fsanitize=leak' || '' }} | |
| LSAN_OPTIONS: suppressions=${{ github.workspace }}/.github/workflows/suppr.txt | |
| ENABLE_TENSORFLOW: ${{ matrix.enable_tensorflow && 'TRUE' || 'FALSE' }} | |
| ENABLE_PYTORCH: ${{ matrix.enable_pytorch && 'TRUE' || 'FALSE' }} | |
| ENABLE_PADDLE: ${{ matrix.enable_paddle && 'TRUE' || 'FALSE' }} | |
| # test lammps | |
| - run: | | |
| cp ${{ github.workspace }}/source/build_tests/paddle_inference_install_dir/paddle/lib/*.so ${{ 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/ | |
| cp ${{ github.workspace }}/source/build_tests/paddle_inference_install_dir/third_party/install/mklml/lib/* ${{ github.workspace }}/dp_test/lib/ | |
| if: matrix.enable_paddle | |
| - run: | | |
| export LD_LIBRARY_PATH=${{ github.workspace }}/dp_test/lib:$LD_LIBRARY_PATH | |
| pytest --cov=deepmd source/lmp/tests | |
| env: | |
| OMP_NUM_THREADS: 1 | |
| TF_INTRA_OP_PARALLELISM_THREADS: 1 | |
| TF_INTER_OP_PARALLELISM_THREADS: 1 | |
| LAMMPS_PLUGIN_PATH: ${{ github.workspace }}/dp_test/lib/deepmd_lmp | |
| ENABLE_TENSORFLOW: ${{ matrix.enable_tensorflow && '1' || '0' }} | |
| ENABLE_PYTORCH: ${{ matrix.enable_pytorch && '1' || '0' }} | |
| ENABLE_JAX: ${{ matrix.enable_tensorflow && '1' || '0' }} | |
| ENABLE_PADDLE: ${{ matrix.enable_paddle && '1' || '0' }} | |
| if: ${{ !matrix.check_memleak }} | |
| # test ipi | |
| - run: | | |
| export PATH=${{ github.workspace }}/dp_test/bin:$PATH | |
| pytest --cov=deepmd source/ipi/tests | |
| env: | |
| OMP_NUM_THREADS: 1 | |
| TF_INTRA_OP_PARALLELISM_THREADS: 1 | |
| TF_INTER_OP_PARALLELISM_THREADS: 1 | |
| LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib | |
| ENABLE_TENSORFLOW: ${{ matrix.enable_tensorflow && '1' || '0' }} | |
| ENABLE_PYTORCH: ${{ matrix.enable_pytorch && '1' || '0' }} | |
| ENABLE_JAX: ${{ matrix.enable_tensorflow && '1' || '0' }} | |
| ENABLE_PADDLE: ${{ matrix.enable_paddle && '1' || '0' }} | |
| if: ${{ !matrix.check_memleak }} | |
| - uses: codecov/codecov-action@v6 | |
| with: | |
| use_oidc: true | |
| permissions: | |
| id-token: write | |
| pass: | |
| name: Pass testing C++ | |
| needs: [testcc] | |
| runs-on: ubuntu-latest | |
| if: always() | |
| steps: | |
| - name: Decide whether the needed jobs succeeded or failed | |
| uses: re-actors/alls-green@release/v1 | |
| with: | |
| jobs: ${{ toJSON(needs) }} |