name: tools

on:
  pull_request:
  push:
    branches:
      - master
  schedule:
    - cron: '0 0 * * *'

jobs:
  tools:

    runs-on: ubuntu-latest
    strategy:
      max-parallel: 4
      matrix:
        python-version: [3.6, 3.8]

    steps:
    - uses: actions/checkout@v1
    - name: Set up Python ${{ matrix.python-version }}
      uses: actions/setup-python@v1
      with:
        python-version: ${{ matrix.python-version }}
    - name: Fetch submodules
      run: git submodule update --init
    - name: Install dependencies
      run: ci/install_dependencies.sh
    - name: Install TorchANI
      run: python setup.py install
    - name: Download data files
      run: ./download.sh
    - name: Inference benchmark
      run: python tools/inference-benchmark.py --tqdm dataset/xyz_files/CH4-5.xyz
    - name: COMP6 Benchmark
      run: python tools/comp6.py dataset/COMP6/COMP6v1/s66x8
    - name: Training Benchmark
      run: python tools/training-benchmark.py dataset/ani1-up_to_gdb4/ani_gdb_s01.h5
    - name: Training Benchmark Nsight System
      run: python tools/training-benchmark-nsys-profile.py --dry-run dataset/ani1-up_to_gdb4/ani_gdb_s01.h5