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Bump up CI, etc...

Bump up CI, etc... #72

Workflow file for this run

name: GH Actions CI
on:
push:
branches:
- master
pull_request:
branches:
- master
concurrency:
group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
cancel-in-progress: true
defaults:
run:
shell: bash -l {0}
env:
CONDA_DEPS: "'MDAnalysis' MDAnalysisTests numpy scipy pytest pytest-xdist pytest-cov codecov"
jobs:
tests:
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macOS-latest]
python-version: ["3.10", "3.11", "3.12", "3.13"]
env:
CYTHON_TRACE_NOGIL: 1
MPLBACKEND: agg
GH_OS: ${{ matrix.os }}
steps:
- uses: actions/checkout@v5
- name: "Setup Micromamba"
uses: mamba-org/setup-micromamba@v2
with:
environment-file: environment.yaml
environment-name: mdrg
create-args: >-
python=${{ matrix.python-version }}
init-shell: bash
- name: install_deps
run: |
micromamba install ${{ env.CONDA_DEPS }}
- name: check_setup
run: |
echo ${GH_OS}
which python
which conda
which pip
micromamba list
- name: install_mdrg
run: |
python -m pip install . --no-deps
- name: version
run: |
python -Ic "import MDRestraintsGenerator; print(MDRestraintsGenerator.__version__)"
- name: run_tests
run: |
pytest -n auto -v --cov=MDRestraintsGenerator --cov-report=xml MDRestraintsGenerator/tests/
- name: codecov
uses: codecov/codecov-action@v5
with:
file: coverage.xml
token: ${{ secrets.CODECOV_TOKEN }}
fail_ci_if_error: True
verbose: True