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refine docs

refine docs #10

Workflow file for this run

on:
push:
pull_request:
name: Test C++
jobs:
testcc:
name: Test C++
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- uses: actions/setup-python@v4
with:
python-version: '3.11'
- name: Setup MPI
uses: mpi4py/setup-mpi@v1
with:
mpi: mpich
- run: python -m pip install tensorflow
- 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
# test lammps
- run: |
python -m pip install -U pip
python -m pip install -e .[cpu,test,lmp]
env:
DP_BUILD_TESTING: 1
- 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
- uses: codecov/codecov-action@v3
with:
gcov: true
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) }}