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unittests

unittests #3056

Workflow file for this run

name: unittests
on:
pull_request:
push:
branches:
- master
schedule:
- cron: '0 0 * * *'
jobs:
unittests:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python-version: [3.6, 3.8]
test-filenames: [
test_aev.py, test_aev_benzene_md.py, test_aev_nist.py, test_aev_tripeptide_md.py,
test_utils.py, test_ase.py, test_energies.py, test_periodic_table_indexing.py,
test_neurochem.py, test_vibrational.py, test_ensemble.py, test_padding.py,
test_data.py, test_forces.py, test_structure_optim.py, test_jit_builtin_models.py,
test_grad.py, test_cuaev.py, test_al.py]
steps:
- uses: actions/checkout@v1
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v1
with:
python-version: ${{ matrix.python-version }}
- name: Fetch submodules
run: git submodule update --init
- name: Install dependencies
run: ci/install_dependencies.sh
- name: Install TorchANI
run: python setup.py install
- name: Download data files
run: ./download.sh
- name: Run single test
run: python tests/${{ matrix.test-filenames }} -v