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CI #326

Workflow file for this run

name: CI
on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
schedule:
# Nightly tests run on master by default:
# Scheduled workflows run on the latest commit on the default or base branch.
# (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule)
- cron: "0 0 * * *"
jobs:
test:
name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest] #, macOS-latest, windows-latest
python-version: [3.7, 3.9.4] #
steps:
- uses: actions/checkout@master
- name: Additional info about the build
shell: bash
run: |
uname -a
df -h
ulimit -a
#- uses: conda-incubator/setup-miniconda@v2
# with:
# python-version: ${{ matrix.python-version }}
# channels: conda-forge,defaults,pytorch,pyg
# activate-environment: serenityff-charge-test
# environment-file: dev/conda-env/test_env.yaml
# auto-active-base: false
- uses: mamba-org/provision-with-micromamba@main
with:
python-version: ${{ matrix.python-version }}
environment-file: dev/conda-env/test_env.yaml
channels: conda-forge,defaults
activate-environment: serenityff-charge-test
auto-update-conda: true
auto-activate-base: false
show-channel-urls: true
- name: Install package
# conda setup requires this special shell
shell: bash -l {0}
run: |
python -m pip install . --no-deps
conda list
- name: Run tests
# conda setup requires this special shell
shell: bash -l {0}
# execute setup.py then run pytest
run: |
python setup.py install
pytest -v --color=yes serenityff/charge/tests/ --cov=serenityff --cov-report=xml
# - uses: codecov/codecov-action@v3
# with:
# token: ${{ secrets.CODECOV_TOKEN }}
# flags: unittests
# name: codecov-umbrella
# fail_ci_if_error: false
# verbose: true