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doc: update spin lmp doc and example #10168

doc: update spin lmp doc and example

doc: update spin lmp doc and example #10168

Workflow file for this run

on:
push:
branches-ignore:
- "gh-readonly-queue/**"
pull_request:
merge_group:
concurrency:
group: ${{ github.workflow }}-${{ github.ref || github.run_id }}
cancel-in-progress: true
name: Test Python
jobs:
testpython:
name: Test Python
runs-on: ubuntu-22.04
strategy:
fail-fast: false
matrix:
group: [1, 2, 3, 4, 5, 6]
python: ["3.9", "3.12"]
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python }}
- run: python -m pip install -U uv
- run: |
source/install/uv_with_retry.sh pip install --system openmpi tensorflow-cpu
source/install/uv_with_retry.sh pip install --system torch -i https://download.pytorch.org/whl/cpu
export TENSORFLOW_ROOT=$(python -c 'import tensorflow;print(tensorflow.__path__[0])')
export PYTORCH_ROOT=$(python -c 'import torch;print(torch.__path__[0])')
source/install/uv_with_retry.sh pip install --system -e .[test,jax] mpi4py
source/install/uv_with_retry.sh pip install --system horovod --no-build-isolation
env:
# Please note that uv has some issues with finding
# existing TensorFlow package. Currently, it uses
# TensorFlow in the build dependency, but if it
# changes, setting `TENSORFLOW_ROOT`.
DP_ENABLE_PYTORCH: 1
DP_BUILD_TESTING: 1
UV_EXTRA_INDEX_URL: "https://pypi.anaconda.org/mpi4py/simple"
HOROVOD_WITH_TENSORFLOW: 1
HOROVOD_WITHOUT_PYTORCH: 1
HOROVOD_WITH_MPI: 1
- run: dp --version
- name: Get durations from cache
uses: actions/cache@v4
with:
path: .test_durations
# the key must never match, even when restarting workflows, as that
# will cause durations to get out of sync between groups, the
# combined durations will be loaded if available
key: test2-durations-split-${{ github.run_id }}-${{ github.run_number}}-${{ matrix.python }}-${{ matrix.group }}
restore-keys: |
test2-durations-combined-${{ matrix.python }}-${{ github.sha }}
test2-durations-combined-${{ matrix.python }}
- run: pytest --cov=deepmd source/tests --durations=0 --splits 6 --group ${{ matrix.group }} --store-durations --clean-durations --durations-path=.test_durations --splitting-algorithm least_duration
env:
NUM_WORKERS: 0
- name: Test TF2 eager mode
run: pytest --cov=deepmd --cov-append source/tests/consistent/io/test_io.py source/jax2tf_tests --durations=0
env:
NUM_WORKERS: 0
DP_TEST_TF2_ONLY: 1
DP_DTYPE_PROMOTION_STRICT: 1
if: matrix.group == 1
- run: mv .test_durations .test_durations_${{ matrix.group }}
- name: Upload partial durations
uses: actions/upload-artifact@v4
with:
name: split-${{ matrix.python }}-${{ matrix.group }}
path: .test_durations_${{ matrix.group }}
include-hidden-files: true
- uses: codecov/codecov-action@v4
env:
CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
update_durations:
name: Combine and update integration test durations
runs-on: ubuntu-22.04
strategy:
fail-fast: false
matrix:
python: ["3.9", "3.12"]
needs: testpython
steps:
- name: Get durations from cache
uses: actions/cache@v4
with:
path: .test_durations
# key won't match during the first run for the given commit, but
# restore-key will if there's a previous stored durations file,
# so cache will both be loaded and stored
key: test2-durations-combined-${{ matrix.python }}-${{ github.sha }}
restore-keys: test2-durations-combined-${{ matrix.python }}
- name: Download artifacts
uses: actions/download-artifact@v4
with:
pattern: split-${{ matrix.python }}-*
merge-multiple: true
- name: Combine test durations
run: jq -s add .test_durations_* > .test_durations
pass:
name: Pass testing Python
needs: [testpython, update_durations]
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) }}