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PyPI #6

Workflow file for this run

name: PyPI
on:
schedule:
# Weekly tests
- cron: "0 2 * * 1"
jobs:
test:
name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
runs-on: ${{ matrix.os }}
strategy:
matrix:
# os: [macOS-latest, ubuntu-latest, windows-latest] # TODO use this when macOS-latest becomes stable again
# os: [macOS-13, ubuntu-latest, windows-latest] # TODO macOS-13 fails when building scipy with pip
os: [ubuntu-latest, windows-latest]
python-version: [3.8, 3.9, "3.10"]
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- name: Checkout latest tag
shell: bash
run: |
TAG=`git describe --tags $(git rev-list --tags --max-count=1)`
echo "Latest tag is: $TAG"
git checkout tags/$TAG
- name: Additional info about the build
shell: bash
run: |
uname -a
df -h
ulimit -a
- name: Install package from PyPI
# conda setup requires this special shell
shell: bash -l {0}
run: |
python -m pip install mlcolvar[test]
pip list
- name: Run tests
# conda setup requires this special shell
shell: bash -l {0}
run: |
pytest -v --cov=mlcolvar --cov-report=xml --color=yes mlcolvar/tests/
- name: Run notebook tests
# conda setup requires this special shell
shell: bash -l {0}
if: contains( matrix.os, 'ubuntu' )
run: |
pytest -v --nbmake docs/notebooks/ --ignore=docs/notebooks/tutorials/data/ --cov=mlcolvar --cov-append --cov-report=xml --color=yes