Context reinitialisation is now handled by Sire. #225
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name: Build and test | |
on: | |
workflow_dispatch: | |
push: | |
branches: | |
- "**" | |
pull_request: | |
branches: | |
- "main" | |
jobs: | |
pre_job: | |
runs-on: ubuntu-latest | |
outputs: | |
should_skip: ${{ steps.skip_check.outputs.should_skip }} | |
steps: | |
- id: skip_check | |
uses: fkirc/skip-duplicate-actions@v5 | |
with: | |
concurrent_skipping: 'same_content_newer' | |
build: | |
needs: pre_job | |
if: needs.pre_job.outputs.should_skip != 'true' | |
name: build (${{ matrix.python-version }}, ${{ matrix.platform.name }}) | |
runs-on: ${{ matrix.platform.os }} | |
strategy: | |
max-parallel: 9 | |
fail-fast: false | |
matrix: | |
python-version: ["3.11"] | |
platform: | |
#- { name: "windows", os: "windows-latest", shell: "pwsh" } | |
- { name: "linux", os: "ubuntu-latest", shell: "bash -l {0}" } | |
- { name: "macos", os: "macos-latest", shell: "bash -l {0}" } | |
defaults: | |
run: | |
shell: ${{ matrix.platform.shell }} | |
steps: | |
# | |
- name: Checkout the repository (commit) | |
uses: actions/checkout@v4 | |
if: github.event_name != 'pull_request' | |
# | |
- name: Checkout the repository (PR) | |
uses: actions/checkout@v4 | |
with: | |
ref: ${{ github.event.pull_request.head.sha }} | |
if: github.event_name == 'pull_request' | |
# | |
- uses: conda-incubator/setup-miniconda@v3 | |
with: | |
auto-update-conda: true | |
python-version: ${{ matrix.python-version }} | |
activate-environment: somd2 | |
environment-file: environment.yaml | |
miniforge-version: latest | |
run-post: ${{ matrix.platform.name != 'windows' }} | |
# | |
- name: Install pytest | |
run: conda install pytest | |
# | |
- name: Install the package | |
run: pip install . | |
# | |
- name: Run the tests | |
run: python -m pytest -svvv --color=yes tests |