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[r2] CI: fix Python workflow #10011

[r2] CI: fix Python workflow

[r2] CI: fix Python workflow #10011

Workflow file for this run

on:
push:
pull_request:
name: Test C++
jobs:
testcc:
name: Test C++
runs-on: ubuntu-latest
strategy:
matrix:
check_memleak: [true, false]
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: '3.11'
cache: 'pip'
- name: Setup MPI
uses: mpi4py/setup-mpi@v1
with:
mpi: mpich
- uses: lukka/get-cmake@latest
- run: python -m pip install uv
- run: source/install/uv_with_retry.sh pip install --system tensorflow
# 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
LMP_CXX11_ABI_0: 1
CMAKE_GENERATOR: Ninja
CXXFLAGS: ${{ matrix.check_memleak && '-fsanitize=leak' || '' }}
# test lammps
- run: |
export TENSORFLOW_ROOT=$(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] mpi4py
env:
DP_BUILD_TESTING: 1
if: ${{ !matrix.check_memleak }}
- run: 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
LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib
if: ${{ !matrix.check_memleak }}
# test ipi
- run: pytest --cov=deepmd source/ipi/tests
env:
OMP_NUM_THREADS: 1
TF_INTRA_OP_PARALLELISM_THREADS: 1
TF_INTER_OP_PARALLELISM_THREADS: 1
PATH: ${{ github.workspace }}/dp_test/bin:$PATH
LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib
if: ${{ !matrix.check_memleak }}
- uses: codecov/codecov-action@v4
env:
CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
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) }}