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Merge pull request #1183 from dwhswenson/fix-openmm-rc-workflow · openpathsampling/openpathsampling@4a86ad7 · GitHub

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Tests

Tests #2792

Workflow file for this run

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name: "Tests"
on:
pull_request:
types: ['opened', 'synchronize', 'reopened', 'ready_for_review']
branches:
- master
- stable
push:
branches:
- master
tags:
- "v*"
schedule:
- cron: "0 4 * * *"
defaults:
run:
shell: bash -l {0}
jobs:
tests:
runs-on: ubuntu-latest
name: "Tests"
strategy:
# NOTE: When changing the test matrix:
# * Update the after_n_builds in codecov.yml to match the number of
# builds in the matrix
# * You may need to create another example run for the notebook tests
# (see examples/ipynbtests.sh; examples/prep_example_data.py). This
# is because Python internals (usually bytecode, which is saved in
# CVs) can differ between minor Python versions.
matrix:
CONDA_PY:
- "3.13"
- "3.12"
- "3.11"
MINIMAL: [""]
include:
- CONDA_PY: "3.11"
MINIMAL: "minimal"
steps:
- uses: actions/checkout@v2
with:
fetch-depth: 2
- uses: actions/setup-python@v2
- uses: conda-incubator/setup-miniconda@v3
with:
auto-update-conda: true
python-version: ${{ matrix.CONDA_PY }}
miniforge-version: latest
- name: "Install requirements"
env:
MINIMAL: ${{ matrix.MINIMAL }}
CONDA_PY: ${{ matrix.CONDA_PY }}
run: |
if [ -z "$MINIMAL" ] ; then
source devtools/conda_install_reqs.sh
else
# In this case we're actually double-installing (not just
# installing requirements here). We prefer this to using the
# conda_install_reqs script so we can test deps coming from PyPI
python -m pip install -e .[test]
fi
python -m pip install autorelease
- name: "Install"
run: |
python -m pip install --no-deps -e .
- name: "Working directory"
run: |
pwd
ls -l
- name: "Check installation"
run: |
python -c "import openpathsampling; print(openpathsampling.version.full_version)"
- name: "Versions"
run: conda list
- name: "Autorelease check"
run: autorelease check --conf ./.autorelease/autorelease.yaml
#- name: "DEBUG: enable SSH login"
#uses: mxschmitt/action-tmate@v3
- name: "Unit Tests"
env:
PY_COLORS: "1"
run: py.test -vv -s --cov --cov-report xml
- name: "Tests: Experimental"
if: matrix.MINIMAL == '' && matrix.CONDA_PY != '2.7'
run: py.test openpathsampling/experimental/ -vv -s
- uses: codecov/codecov-action@v4
env:
CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
- name: "Notebook tests"
if: matrix.MINIMAL == ''
run: |
pushd examples/ && ./ipynbtests.sh || exit 1 && popd

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