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Support MDAnalysis.Universe as the frame parameter #826

Support MDAnalysis.Universe as the frame parameter

Support MDAnalysis.Universe as the frame parameter #826

Workflow file for this run

name: Check Colab Notebook
on:
schedule:
# run at 10am on every Monday
- cron: '0 10 * * 1'
pull_request:
# Check all PR
jobs:
pull-notebook:
runs-on: ubuntu-latest
steps:
# Pulls the Notebook from the Google Collab URL
- name: wget-notebook
uses: wei/wget@v1
with:
args: -O downloaded_file.ipynb 'https://docs.google.com/uc?export=download&id=1NU0gjtaHcB5Oc3NbFZiQYtctY2190hDu'
# Pulls an example dataset from rascaline's repository
- name: wget-dataset
uses: wei/wget@v1
with:
args: -O frames.xyz 'https://raw.githubusercontent.com/Luthaf/rascaline/a7af348694d5268b05a89c4773b3f51211e3b344/docs/static/dataset.xyz'
- name: install Python
uses: actions/setup-python@v4
with:
python-version: '3.9'
- name: install dependencies
run: |
pip install wheel numpy tqdm jupyter nbconvert
pip install ase chemiscope scikit-learn skmatter
pip install git+https://github.com/lab-cosmo/librascal
# Checks that the notebook can run without errors
- name: run notebook
run: |
jupyter nbconvert --to notebook --execute downloaded_file.ipynb