pdmodels/.github/workflows/ci.yml at main · FridrichMethod/pdmodels · GitHub

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name: ci

on:
  push:
    branches: ["main"]
  pull_request:
    branches: ["main"]

jobs:
  test:
    runs-on: ubuntu-latest
    permissions:
      contents: read
      pull-requests: write
    strategy:
      matrix:
        python-version: ["3.12"]
    defaults:
      run:
        shell: bash -l {0}
    name: Linux py ${{ matrix.python-version }} tests

    steps:
      - uses: actions/checkout@v6
      - name: Set up Miniconda (${{ matrix.python-version }})
        uses: conda-incubator/setup-miniconda@v3
        with:
          auto-update-conda: true
          python-version: ${{ matrix.python-version }}
          activate-environment: pdmodels
          channels: conda-forge,bioconda,defaults,nvidia,schrodinger
          use-mamba: true
      - name: Set environment
        run: |
          bash setup.sh

      - name: Check style
        run: |
          pre-commit run --all-files