test.yml

name: Test active learning in drug discovery

on:
- push
- pull_request
jobs:
  Test:
    name: Test active learning in drug discovery
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: [ubuntu-latest, windows-latest, macos-latest]
    steps:
      - name: Checkout repository
        uses: actions/checkout@v2
      - name: Install conda environment
        uses: conda-incubator/setup-miniconda@v2
        with:
          activate-environment: active_learning_dd
          environment-file: conda_cpu_env.yml
          auto-activate-base: false
          miniconda-version: 'latest'
      - name: Install active_learning_dd package
        shell: bash --login {0}
        run: pip install -e .
      - name: Test sample data runner
        shell: bash --login {0}
        run: |
          cd chtc_runners
          python sample_data_runner.py \
            --pipeline_params_json_file=../param_configs/sample_data_config.json \
            --hyperparams_json_file=../param_configs/experiment_PstP_hyperparams/sampled_hyparams/ClusterBasedWCSelector_609.json \
            --iter_max=5 \
            --no-precompute_dissimilarity_matrix \
            --initial_dataset_file=../datasets/sample_data/training_data/iter_0.csv.gz