add errormsg #3
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# This uses actios: | |
# checkout: https://github.com/actions/checkout | |
# cache: https://github.com/actions/cache | |
# codecov-action: https://github.com/codecov/codecov-action | |
name: CI | |
on: | |
push: | |
branches: | |
- "*" | |
pull_request: | |
branches: | |
- "*" | |
# Nothing scheduled, just PRs and pushes | |
# schedule: | |
# - cron: "0 0 * * *" # Daily at midnight | |
jobs: | |
build: | |
name: Build (${{ matrix.python-version }} | ${{ matrix.os }}) | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
os: [ "ubuntu-latest" ] | |
python-version: [ "3.8", "3.11" ] | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Cache conda | |
uses: actions/cache@v3 | |
with: | |
path: ~/conda_pkgs_dir | |
key: ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('ci/environment-${{ matrix.python-version }}.yml') }} | |
- uses: conda-incubator/setup-miniconda@v2 | |
with: | |
activate-environment: test_env # Defined in ci/environment*.yml | |
miniforge-variant: Mambaforge | |
miniforge-version: latest | |
use-mamba: true | |
python-version: ${{ matrix.python-version }} | |
environment-file: ci/environment-${{ matrix.python-version }}.yml | |
use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly! | |
- name: Set up conda environment | |
shell: bash -l {0} | |
run: | | |
python -m pip install -e . | |
conda list | |
- name: Update timestep in config | |
uses: fjogeleit/yaml-update-action@main | |
with: | |
valueFile: 'config/config.yaml' | |
propertyPath: 'defaults.DEF_TIMESTEP' | |
value: 500 | |
commitChange: false | |
- name: Run chemcomp | |
shell: bash -l {0} | |
run: | | |
chemcomp_main -c config/config.yaml | |
- name: Compare with reference simulation | |
shell: bash -l {0} | |
run: | | |
py.test |