tools.yml

queue:
  name: Hosted Ubuntu 1604
  timeoutInMinutes: 30

trigger:
  batch: true
  branches:
    include:
    - master

variables:
  python.version: '3.7'


steps:

- task: UsePythonVersion@0
  displayName: 'Use Python $(python.version)'
  inputs:
    versionSpec: '$(python.version)'

- script: 'git submodule update --init'
  displayName: 'Fetch submodules'

- script: 'azure/install_dependencies.sh && pip install .'
  displayName: 'Install dependencies'

- script: './download.sh'
  displayName: 'Download data files'

- script: 'python tools/inference-benchmark.py --tqdm dataset/xyz_files/CH4-5.xyz'
  displayName: Inference Benchmark

- script: 'pip install h5py'
  displayName: 'Install more dependencies'

- script: 'python tools/comp6.py dataset/COMP6/COMP6v1/s66x8'
  displayName: COMP6 Benchmark

- script: 'pip install pytorch-ignite-nightly'
  displayName: 'Install more dependencies'

- script: 'python tools/training-benchmark.py dataset/ani1-up_to_gdb4/ani_gdb_s01.h5'
  displayName: Training Benchmark

- script: 'python tools/neurochem-test.py dataset/ani1-up_to_gdb4/ani_gdb_s01.h5'
  displayName: NeuroChem Test