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Semantic mappings for OPTIMADE Structure #649

Semantic mappings for OPTIMADE Structure

Semantic mappings for OPTIMADE Structure #649

Workflow file for this run

name: CI - Tests
on:
pull_request:
push:
branches:
- 'main'
- 'push-action/**' # Allow pushing to protected branches (using CasperWA/push-protected)
jobs:
basic-tests:
name: External
uses: SINTEF/ci-cd/.github/workflows/[email protected]
with:
# General setup
install_extras: "[dev]"
# pre-commit
run_pre-commit: false
# pylint & safety
python_version_pylint_safety: "3.9"
run_pylint: false
run_safety: true
# ID: 70612
# Package: Jinja2
# Has been disputed by the maintainer and multiple third parties.
# For more information see: https://github.com/advisories/GHSA-f6pv-j8mr-w6rr
safety_options: |
--ignore=70612
# Build dist
python_version_package: "3.9"
build_libs: flit
build_cmd: flit build
# Build documentation
python_version_docs: "3.9"
package_dirs: oteapi_optimade
full_docs_dirs: "models"
pytest:
name: pytest (${{ matrix.os[1] }}-py${{ matrix.python-version }})
runs-on: ${{ matrix.os[0] }}
strategy:
fail-fast: false
matrix:
python-version: ["3.9", "3.10", "3.11", "3.12"]
os:
- ["ubuntu-latest", "linux"]
- ["windows-latest", "windows"]
steps:
- name: Checkout oteapi-optimade
uses: actions/checkout@v4
with:
fetch-depth: 2
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
python -m pip install -U pip
pip install -U setuptools wheel flit
pip install -e .[test]
- name: Test with pytest
run: pytest -vvv --cov-report=xml
- name: Upload coverage to Codecov
if: github.repository == 'SINTEF/oteapi-optimade'
uses: codecov/codecov-action@v4
with:
token: ${{ secrets.CODECOV_TOKEN }}
env_vars: OS,PYTHON
flags: local
env:
OS: ${{ matrix.os[0] }}
PYTHON: ${{ matrix.python-version }}
pytest-real-backend:
runs-on: ubuntu-latest
name: pytest-real backend
env:
OTEAPI_PORT: 8080
OPTIMADE_PORT: 5000
OTEAPI_PREFIX: "/api/v1"
services:
redis:
image: redis:latest
volumes:
- redis-persist:/data
ports:
- "6379:6379"
optimade:
image: ghcr.io/materials-consortia/optimade:develop
ports:
- "5000:5000" # the first value should equal `OPTIMADE_PORT`
env:
OPTIMADE_BASE_URL: "http://localhost:5000" # port value should equal `OPTIMADE_PORT`
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 2
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: "3.9"
- name: Install python dependencies
run: |
python -m pip install -U pip
pip install -U setuptools wheel flit
pip install -e .[dev]
- name: Run OTEAPI Service
run: |
docker pull ghcr.io/emmc-asbl/oteapi:${DOCKER_OTEAPI_VERSION}
docker run \
--env "OTEAPI_REDIS_TYPE=redis" \
--env "OTEAPI_REDIS_HOST=localhost" \
--env "OTEAPI_REDIS_PORT=6379" \
--env "OTEAPI_PREFIX=${OTEAPI_PREFIX}" \
--network "host" \
--volume "${PWD}:/oteapi-optimade" \
--entrypoint "" \
ghcr.io/emmc-asbl/oteapi:${DOCKER_OTEAPI_VERSION} \
/bin/bash -c "pip install -v -e /oteapi-optimade && ./entrypoint.sh" &
.github/utils/wait_for_it.sh localhost:${OTEAPI_PORT} -t 240
sleep 5
env:
DOCKER_OTEAPI_VERSION: 'latest'
- name: Run end-2-end tests
run: python .github/utils/end2end_test.py