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[pre-commit.ci] pre-commit autoupdate #448

[pre-commit.ci] pre-commit autoupdate

[pre-commit.ci] pre-commit autoupdate #448

Workflow file for this run

name: CI
on:
push:
branches: [master]
tags:
- "v[0-9]+.[0-9]+.[0-9]+*"
pull_request:
jobs:
pre-commit:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4.2.2
- name: Set up Python
uses: actions/setup-python@v5.3.0
with:
python-version: "3.9"
- name: Make sure virtualevn>20 is installed, which will yield newer pip and possibility to pin pip version.
run: pip install "virtualenv>20"
- name: Install Tox
run: pip install tox
- name: Run pre-commit in Tox
run: tox -e pre-commit
tests:
name: pytest (Python ${{ matrix.python-version }}, LAMMPS ${{ matrix.lammps-version }})
timeout-minutes: 30
strategy:
fail-fast: false
matrix:
include:
- python-version: "3.9"
lammps-version: "2022.06.23"
- python-version: "3.10"
lammps-version: "2022.06.23"
- python-version: "3.11"
lammps-version: "2022.06.23"
runs-on: ubuntu-latest
services:
postgres:
image: postgres:12
env:
POSTGRES_DB: test_lammps
POSTGRES_PASSWORD: ""
POSTGRES_HOST_AUTH_METHOD: trust
options: >-
--health-cmd pg_isready
--health-interval 10s
--health-timeout 5s
--health-retries 5
ports:
- 5432:5432
rabbitmq:
image: rabbitmq:latest
ports:
- 5672:5672
steps:
- uses: actions/checkout@v4.2.2
- name: Setup conda
uses: s-weigand/setup-conda@v1.2.3
with:
# update-conda: true
python-version: ${{ matrix.python-version }}
conda-channels: conda-forge
- name: install lammps
run: conda install -y lammps==${{ matrix.lammps-version }}
- name: Install `jpeg` package
if: matrix.lammps-version == '2021.09.29'
run: conda install -c conda-forge jpeg
- name: Make sure virtualevn>20 is installed, which will yield newer pip and possibility to pin pip version.
run: pip install "virtualenv>20"
- name: Install Tox
run: pip install tox
- name: Run pytest
run: |
tox -e ${{ matrix.python-version }}-aiida_lammps -- tests/ --cov=aiida_lammps --cov-append --cov-report=xml --cov-report=term-missing
- name: Upload to Codecov
if: matrix.python-version == 3.10
uses: codecov/codecov-action@v5
with:
token: ${{ secrets.CODECOV_TOKEN }}
name: pytests-lammps
flags: pytests
fail_ci_if_error: true
# https://github.com/marketplace/actions/alls-green#why
check: # This job does nothing and is only used for the branch protection
if: always()
needs:
- pre-commit
- tests
runs-on: ubuntu-latest
steps:
- name: Decide whether the needed jobs succeeded or failed
uses: re-actors/alls-green@release/v1
with:
jobs: ${{ toJSON(needs) }}
publish:
name: Publish to PyPi
needs: [pre-commit, tests]
if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags')
runs-on: ubuntu-latest
steps:
- name: Checkout source
uses: actions/checkout@v4.2.2
- name: Set up Python 3.8
uses: actions/setup-python@v5.3.0
with:
python-version: "3.8"
- name: install flit
run: |
pip install flit~=3.4
- name: Build and publish
run: |
flit publish
env:
FLIT_USERNAME: __token__
FLIT_PASSWORD: ${{ secrets.PYPI_KEY }}