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modify so3 operation implementation to make united tests pass due to the update of sympy #1526

modify so3 operation implementation to make united tests pass due to the update of sympy

modify so3 operation implementation to make united tests pass due to the update of sympy #1526

Workflow file for this run

name: Testing
on:
push:
branches: [main]
pull_request:
branches: [main]
release:
types: [published]
workflow_dispatch:
inputs:
task:
type: choice
options: [tests, release]
default: tests
description: Only run tests or release a new version to PyPI after tests pass.
jobs:
test:
strategy:
max-parallel: 20
matrix:
python-version: ["3.10"]
runs-on: ubuntu-latest
env:
PROTOCOL_BUFFERS_PYTHON_IMPLEMENTATION: "python"
PMG_MAPI_KEY: ${{ secrets.PMG_MAPI_KEY }}
DGLBACKEND: "pytorch"
steps:
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: pip
cache-dependency-path: '**/requirements.txt'
- name: Install dependencies
run: |
pip install -e '.[ci]'
- name: pytest
run: |
pytest --cov=matgl tests --color=yes
- name: Upload coverage reports to Codecov
uses: codecov/codecov-action@v3
env:
CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
release:
if: github.event_name == 'release'
needs: test
runs-on: ubuntu-latest
permissions:
# For pypi trusted publishing
id-token: write
steps:
- uses: actions/checkout@v3
- uses: actions/setup-python@v4
name: Install Python
with:
python-version: "3.10"
- run: |
python -m pip install build
pip install -e .
- name: Build sdist
run: |
python -m build --sdist
python -m build --wheel
- name: Publish to PyPi
uses: pypa/gh-action-pypi-publish@release/v1
with:
skip-existing: true
verbose: true