CI #135
Workflow file for this run
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name: CI | |
on: | |
push: | |
branches: [ main ] | |
pull_request: | |
branches: [ main ] | |
workflow_dispatch: | |
jobs: | |
build: | |
runs-on: ubuntu-latest | |
strategy: | |
fail-fast: false | |
matrix: | |
include: | |
- environment-file: environment-py37.yml | |
build-name: "python 3.7.7, tf 2.1.0, rdkit 2020.09.1" | |
- environment-file: environment-py38.yml | |
build-name: "python 3.8.16, tf 2.6.2, rdkit 2021.09.1" | |
- environment-file: environment-py39.yml | |
build-name: "python 3.9.16, tf 2.9.1, rdkit 2022.09.1" | |
- environment-file: environment.yml | |
build-name: "python 3.10, tf latest, rdkit latest" | |
defaults: | |
run: | |
shell: bash -l {0} | |
name: ${{ matrix.build-name }} | |
steps: | |
- uses: actions/checkout@v3 | |
- uses: conda-incubator/setup-miniconda@v2 | |
with: | |
mamba-version: "*" | |
channels: conda-forge,defaults | |
channel-priority: true | |
environment-file: ${{ matrix.environment-file }} | |
- name: Install dev dependencies | |
run: | | |
python -m pip install . | |
python -m pip install black==23.1.0 flake8 pytest | |
- name: Lint with black | |
run: | | |
black . --check --diff | |
- name: Lint with flake8 | |
run: | | |
flake8 | |
- name: Run unit tests | |
run: | | |
pytest --ignore=./molecule_generation/test/integration/ | |
- name: Run integration tests | |
run: | | |
pytest ./molecule_generation/test/integration/ |