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Run Tests

Run Tests #357

Workflow file for this run

name: Run Tests
on:
schedule:
- cron: '0 8 * * 1-5'
push:
branches: [ master ]
pull_request:
branches: [ master ]
workflow_dispatch:
jobs:
code-format:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Setup python
uses: actions/setup-python@v5
with:
python-version: '3.9'
architecture: x64
- name: Install Dependencies
run: |
python -m pip install rdkit-pypi
python -m pip install networkx==2.1
python -m pip install pycodestyle autopep8
python -m pip install -r requirements.txt
python -m pip install -e .
python -m pip install sphinx sphinx-rtd-theme m2r mistune==0.8.4
- name: Check Errors
run: |
pycodestyle --statistics --count --max-line-length=150 --show-source --exclude=interfaces/UI/libraries .
build:
strategy:
fail-fast: false
matrix:
python-version: ['3.8', '3.9', '3.10', '3.11', '3.12']
os: [ubuntu-latest, windows-latest, macos-latest]
exclude:
- os: macos-13
python-version: '3.8'
runs-on: ${{ matrix.os }}
defaults:
run:
shell: bash -el {0}
name: ${{ matrix.os }} Python ${{ matrix.python-version }} Subtest
steps:
- uses: actions/checkout@v3
- uses: conda-incubator/setup-miniconda@v3
with:
auto-update-conda: true
python-version: ${{ matrix.python-version }}
- name: Install Dependencies
run: |
python -m pip install openpyxl
python -m pip install -r requirements.txt
python -m pip install -e .
python -m pip install coverage
- name: Run Tests
run: |
coverage run --source=. --omit=interfaces/*,aimsim/__main__.py,aimsim/tasks/__init__.py,aimsim/ops/__init__.py,aimsim/chemical_datastructures/__init__.py,aimsim/utils/__init__.py,setup.py,tests/*,aimsim/__init__.py,aimsim/utils/plotting_scripts.py -m unittest discover -v
- name: Show Coverage
run: |
coverage report -m
pypi:
name: Build and publish Python 🐍 distributions 📦 to PyPI
runs-on: ubuntu-latest
# only run if the tests pass
needs: build
# run only on pushes to master on AIMSim
if: ${{ github.event_name == 'push' && github.ref == 'refs/heads/master' && github.repository == 'VlachosGroup/AIMSim'}}
steps:
- uses: actions/checkout@master
- name: Set up Python 3.10
uses: actions/setup-python@v3
with:
python-version: "3.10"
- name: Install pypa/build
run: >-
python -m
pip install
build
--user
- name: Build a binary wheel and a source tarball
run: >-
python -m
build
--sdist
--wheel
--outdir dist/
.
- name: Publish distribution 📦 to PyPI
uses: pypa/gh-action-pypi-publish@release/v1
with:
password: ${{ secrets.PYPI_API_TOKEN }}
skip-existing: true
verbose: true
- run: rm -rf dist
- name: Build a binary wheel and a source tarball for core package
run: |
CORE_ONLY=1 python -m build --sdist --wheel --outdir dist/ .
- name: Publish distribution 📦 to PyPI
uses: pypa/gh-action-pypi-publish@release/v1
with:
password: ${{ secrets.PYPI_API_TOKEN }}
skip-existing: true
verbose: true