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name: Test Curie Functions
on: [push]
jobs:
build:
runs-on: ubuntu-20.04
if: "! contains(github.event.head_commit.message, 'wip')"
strategy:
matrix:
python-version: [3.8]
steps:
- uses: actions/checkout@v2
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
sudo apt update && sudo apt install python3-openbabel openbabel python-six git
python -m pip install --upgrade pip six
python -m pip install oddt git+https://github.com/navanchauhan/plip openbabel
- name: Clean Test Data
run: cd tests && python test-oddt-plip.py
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