install.yml

name: install

on:
  schedule:
    - cron: "0 2 * * 6"
  push:
    branches: [master]
  pull_request:
    branches: [master]

jobs:
  tests:
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        os: [ubuntu-latest, macos-latest, windows-latest]

    steps:
    - uses: actions/checkout@v4
    - name: Set up conda
      uses: conda-incubator/setup-miniconda@v3
      with:
        auto-update-conda: true
        python-version: 3.9
    - name: Install py4vasp and testing tools
      shell: bash -el {0}
      run: |
        python -m pip install --progress-bar=off --upgrade pip
        pip install --progress-bar=off .
        pip install --progress-bar=off pytest hypothesis
        pip install --progress-bar=off ipykernel
    - name: Install mdtraj with conda
      shell: bash -el {0}
      run: |
        conda info
        conda install -q -c conda-forge mdtraj
    - name: Test with pytest
      shell: bash -el {0}
      run: |
        pytest --version
        pytest