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CI #470

Workflow file for this run

name: CI
on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
schedule:
- cron: "0 0 * * *"
defaults:
run:
shell: bash -l {0}
jobs:
test:
name: 🖥️ ${{ matrix.os }}, 🐍=${{ matrix.python-version }}
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os:
- macOS-latest
- ubuntu-latest
python-version:
- "3.10"
- "3.11"
- "3.12"
steps:
- uses: actions/checkout@v3
- name: Additional info about the build
run: |
uname -a
df -h
ulimit -a
- name: Install conda environment
uses: mamba-org/setup-micromamba@v1
with:
environment-file: devtools/conda-envs/test_env.yaml
create-args: >-
python=${{ matrix.python-version }}
- name: Install DE-ForceFields
run: |
python -m pip install .
- name: PyTest
run: |
pytest -v deforcefields/tests/