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Adding ligands to dataset processing #98

Adding ligands to dataset processing

Adding ligands to dataset processing #98

Workflow file for this run

name: Build
on:
push:
branches: [main]
pull_request:
branches: [main]
paths-ignore:
- '**.md'
- 'docs/**'
- 'figures/**'
- '.gitignore'
- 'LICENSE'
workflow_dispatch:
jobs:
build:
runs-on: ubuntu-latest
environment: testing
# Skip CI if 'skip ci' is in the latest commit message (only relevant for push/pull_request triggers)
# if: "!contains(github.event.head_commit.message, 'skip ci')"
# Will add back on skipping for draft PRs too.
# if: |
# !contains(github.event.head_commit.message, 'skip ci') &&
# (github.event_name != 'pull_request' || !github.event.pull_request.draft)
steps:
- uses: actions/checkout@v6
- name: Setup UV
uses: astral-sh/setup-uv@v7
with:
version: "0.10.6"
- name: Install dependencies
run: uv sync --group dev
- name: Run tests
env:
TEST_DATA_DIR: ${{ github.workspace }}/tests/test_files
run: uv run pytest tests/ --cov=src --cov-report=html --cov-report=term-missing --cov-fail-under=70