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Gaussian unconverge trsh (#758) #449

Gaussian unconverge trsh (#758)

Gaussian unconverge trsh (#758) #449

Workflow file for this run

name: github pages
on:
push:
branches:
- main
- docs
jobs:
deploy:
runs-on: ubuntu-latest
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v2
- name: Setup Mambaforge Python 3.7
uses: conda-incubator/setup-miniconda@v2
with:
environment-file: environment.yml
miniforge-variant: Mambaforge
miniforge-version: latest
activate-environment: arc_env
python-version: 3.7
use-mamba: true
- name: Update environment
run: |
mamba env update -n arc_env -f environment.yml
conda list
- name: Install LaTeX
run: |
sudo apt update -y && sudo apt upgrade -y && sudo apt autoremove -y
sudo apt install texlive-latex-base -y
sudo apt-get install texlive-latex-extra -y
sudo apt-get install -y dvipng
- name: Install codecov
run: mamba install -y -c conda-forge codecov
- name: Install dependencies
run: |
export PYTHONPATH=$PYTHONPATH:$(pwd)
conda activate arc_env
cd ..
git clone https://github.com/ReactionMechanismGenerator/RMG-database
git clone https://github.com/ReactionMechanismGenerator/RMG-Py
cd RMG-Py
export PYTHONPATH=$PYTHONPATH:$(pwd)
make
cd ../ARC/
conda deactivate
- name: Compile docs
run: |
export PYTHONPATH=$PYTHONPATH:$(pwd)
conda activate arc_env
cd ../RMG-Py
export PYTHONPATH=$PYTHONPATH:$(pwd)
cd ../ARC/docs/
make html
- name: Deploy
uses: peaceiris/[email protected]
with:
github_token: ${{ secrets.GITHUB_TOKEN }}
publish_dir: ./docs/build/html/
# https://github.com/marketplace/actions/github-pages-action