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ci.yml
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name: CI
on:
# Run on creating or updating a PR
pull_request:
types: [opened, synchronize, reopened]
# And pushing to the trunk or fix branches
push:
branches:
- trunk
- 'fix*'
# And pushing new version tags e.g. 2024.103
tags:
- '20[0-9]{2}\.[0-9]{3}'
jobs:
unit-test:
# Run on ubuntu, mac and windows for python 3.8 (in AMS python stack) up to 3.12
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest, macos-latest, windows-latest]
python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
steps:
- name: Checkout
uses: actions/checkout@v4
- name: Set Up Python ${{ matrix.python-version }}
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Build package
run: |
python -m pip install --upgrade pip
pip install build
python -m build
- name: Install package and dependencies
run: |
pip install dist/plams-*.whl
pip install ".[chem,ams,analysis,dev]"
- name: Run Unit Tests
run: |
pwd
coverage run -m pytest unit_tests
# ToDo: Bump the fail-under threshold over time until acceptable level is reached
- name: Evaluate Coverage
run: coverage report --omit="unit_tests/*" -i --fail-under=35
lint:
runs-on: ubuntu-latest
steps:
- name: Checkout Code
uses: actions/checkout@v4
- name: Set Up Python
uses: actions/setup-python@v5
with:
python-version: "3.x"
- name: Install Dependencies
run: |
python -m pip install --upgrade pip
pip install ".[dev]"
- name: Run Black
run: |
black --check -t py38 -l 120 .
- name: Run Flake8
run: |
flake8 --color never --count --config .flake8 .
- name: Run MyPy
run: |
mypy
build-docs:
runs-on: ubuntu-latest
steps:
- name: Checkout Code
uses: actions/checkout@v4
- name: Set Up Python
uses: actions/setup-python@v5
with:
python-version: "3.x"
- name: Install Dependencies
run: |
python -m pip install --upgrade pip
pip install ".[docs]"
- name: Build Sphinx Docs
working-directory: doc
env:
IGNORE_IMPORT_ERRORS: true
run: |
python build_plams_doc