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Fix shape mismatch of bond_list in model_system #252

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Fix shape mismatch of bond_list in model_system

Fix shape mismatch of bond_list in model_system #252

Workflow file for this run

.github/workflows/actions.yml at 7d7d08a
name: Installing and Testing
on: [push]
# https://docs.github.com/en/actions/using-jobs/assigning-permissions-to-jobs
# `contents` is for permission to the contents of the repository.
# `pull-requests` is for permission to pull request
permissions:
contents: write
checks: write
pull-requests: write
env:
UV_SYSTEM_PYTHON: true
jobs:
install-and-test:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python_version: ["3.9", "3.10", "3.11"]
steps:
- uses: actions/checkout@v4
- name: Set up Python ${{matrix.python_version}}
uses: actions/setup-python@v5
with:
python-version: ${{matrix.python_version}}
- name: Install uv
run: |
curl -LsSf https://astral.sh/uv/install.sh | sh
- name: Install dependencies
run: |
pip install --upgrade pip
uv pip install -e '.[dev]'
- name: mypy
run: |
python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional src/nomad_simulations/schema_packages tests
- name: Test with pytest
run: |
python -m pytest -sv tests
build-and-install:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.11
uses: actions/setup-python@v5
with:
python-version: 3.11
- name: Install uv
run: |
curl -LsSf https://astral.sh/uv/install.sh | sh
- name: Build the package
run: |
uv pip install build
python -m build --sdist
- name: Install the package
run: |
uv pip install dist/*.tar.gz
ruff-linting:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: chartboost/ruff-action@v1
with:
args: "check ."
ruff-formatting:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: chartboost/ruff-action@v1
with:
args: "format . --check --verbose"