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pip install doped

pip install doped #83

name: pip install doped
on:
workflow_dispatch:
workflow_run:
workflows: ["Release and publish"]
branches: [main]
types:
- completed # only test when new release has been deployed to PyPI
jobs:
build:
if: ${{ github.event_name == 'workflow_dispatch' || (github.event_name == 'workflow_run' && github.event.workflow_run.conclusion == 'success') }}
# only run when tests have passed (or manually triggered)
strategy:
fail-fast: false
matrix:
os: [ ubuntu-latest, macos-14 ]
python-version: [ '3.9', '3.10', '3.11' ]
exclude:
- os: macos-14
python-version: '3.9' # Exclude Python 3.9 on macOS, not supported for macOS-14 tests
# macos-latest should be 14 according to link below, but currently doesn't?
# https://docs.github.com/en/actions/using-github-hosted-runners/about-github-hosted-runners/about-github-hosted-runners#standard-github-hosted-runners-for-public-repositories
runs-on: ${{ matrix.os }}
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
sleep 360 # wait 10 minutes for PyPI to update with the new release
python -m pip install --upgrade pip
pip install doped[tests] # install only from PyPI
- name: Install spglib on macOS
if: matrix.os == 'macos-14'
run: |
pip install git+https://github.com/spglib/spglib --config-settings=cmake.define.SPGLIB_SHARED_LIBS=OFF # avoid spglib warnings
- name: Install spglib on ubuntu
if: matrix.os == 'ubuntu-latest'
run: |
conda install -c conda-forge spglib # avoid spglib warnings
- name: Test
run: |
pytest -vv -m "not mpl_image_compare" tests # all non-plotting tests
- name: Plotting Tests
if: always() # run even if non-plotting tests fail
id: plotting_tests # Add an ID to this step for reference
run: |
pytest --mpl -m "mpl_image_compare" tests # all plotting tests
- name: Generate GH Actions test plots
if: failure() && steps.plotting_tests.outcome == 'failure' # Run only if plotting tests fail
run: |
# Generate the test plots in case there were any failures:
pytest --mpl-generate-path=tests/remote_baseline -m "mpl_image_compare" tests
# Upload test plots
- name: Archive test plots
if: always()
uses: actions/upload-artifact@v4
with:
name: output-plots
path: tests/remote_baseline