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* Docs are now generated using the MDAnalysis Sphinx theme * A github action now handles deployment of docs to pages * Added references
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name: docs | ||
on: | ||
push: | ||
branches: | ||
- main | ||
pull_request: | ||
branches: | ||
- main | ||
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||
concurrency: | ||
group: "${{ github.ref }}-${{ github.head_ref }}" | ||
cancel-in-progress: true | ||
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||
defaults: | ||
run: | ||
shell: bash -l {0} | ||
|
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jobs: | ||
docs: | ||
if: "github.repository == 'MDAnalysis/mdaencore'" | ||
runs-on: ubuntu-latest | ||
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steps: | ||
- uses: actions/checkout@v3 | ||
with: | ||
fetch-depth: 0 | ||
|
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- name: setup_miniconda | ||
uses: conda-incubator/setup-miniconda@v2 | ||
with: | ||
python-version: 3.11 | ||
environment-file: docs/requirements.yaml | ||
auto-update-conda: true | ||
channel-priority: flexible | ||
channels: conda-forge | ||
miniforge-variant: Mambaforge | ||
use-mamba: true | ||
|
||
- name: Build and install package | ||
run: | | ||
mamba env update -n test -f devtools/conda-envs/test_env.yaml | ||
python setup.py build_ext -i | ||
python -m pip install -e . | ||
- name: build docs | ||
run: | | ||
cd docs && sphinx-build -b html source build | ||
- name: deploy docs | ||
uses: peaceiris/actions-gh-pages@v3 | ||
if: github.event_name != 'pull_request' | ||
with: | ||
github_token: ${{ secrets.GITHUB_TOKEN }} | ||
publish_dir: ./docs/build | ||
user_name: 'github-actions' | ||
user_email: 'github-action@users.noreply.github.com' | ||
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- uses: actions/upload-artifact@v3 | ||
if: github.event_name == 'pull_request' | ||
with: | ||
name: pr_docs | ||
path: ./docs/build/ |
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name: mdaencore-docs | ||
channels: | ||
- default | ||
- conda-forge | ||
dependencies: | ||
# Base depends | ||
- python | ||
- pip | ||
- python | ||
- pip | ||
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- sphinx<7.0 | ||
- sphinxcontrib-bibtex | ||
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- sphinx_rtd_theme | ||
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# Pip-only installs | ||
#- pip: | ||
- numpy | ||
- scipy | ||
- MDAnalysis | ||
- MDAnalysisTests | ||
- pytest | ||
|
||
- pip: | ||
- mdanalysis-sphinx-theme |
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@article{LindorffLarsen2009, | ||
doi = {10.1371/journal.pone.0004203}, | ||
author = {Lindorff-Larsen, Kresten AND Ferkinghoff-Borg, Jesper}, | ||
journal = {PLOS ONE}, | ||
publisher = {Public Library of Science}, | ||
title = {Similarity Measures for Protein Ensembles}, | ||
year = {2009}, | ||
month = {01}, | ||
volume = {4}, | ||
pages = {1-13}, | ||
number = {1} | ||
} | ||
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@article{Tiberti2015, | ||
doi = {10.1371/journal.pcbi.1004415}, | ||
author = {Tiberti, Matteo AND Papaleo, Elena AND Bengtsen, Tone AND Boomsma, Wouter AND Lindorff-Larsen, Kresten}, | ||
journal = {PLOS Computational Biology}, | ||
publisher = {Public Library of Science}, | ||
title = {ENCORE: Software for Quantitative Ensemble Comparison}, | ||
year = {2015}, | ||
month = {10}, | ||
volume = {11}, | ||
pages = {1-16}, | ||
number = {10} | ||
} |
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