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34 changes: 34 additions & 0 deletions .github/workflows/cream-test.yml
Original file line number Diff line number Diff line change
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name: cream-test
on:
workflow_dispatch:
push:
branches: [main]
pull_request:
branches: [main]

jobs:
run-tests:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ["3.9", "3.10", "3.11"]
steps:
- name: Checkout code
uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: ${{matrix.python-version}}
- name: install and test
working-directory: ./cream
run: |
python -m pip install .[test]
pytest
check-formating:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: psf/black@stable
with:
src: "./cream/"

14 changes: 14 additions & 0 deletions cream/cream/__init__.py
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"""Utility library for the SCONE Monte Carlo Code[project.optional-dependencies]

Dummy doctest
>>> 2 + 1
3
"""

import click


@click.command()
def main():
"""Command line utility for SCONE Monte Carlo Code."""
pass
14 changes: 0 additions & 14 deletions cream/cream/__main__.py

This file was deleted.

328 changes: 0 additions & 328 deletions cream/cream/atom_relax.py

This file was deleted.

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