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Functional OpenMM simulation, test, viewer #9

Functional OpenMM simulation, test, viewer

Functional OpenMM simulation, test, viewer #9

Workflow file for this run

# Name of the GitHub Action
name: Build plugin on Pull Request
# Specify when the Action should be triggered: when a pull request is opened against the 'devel' or 'master' branch
on:
pull_request:
branches: [devel, master]
# Define the job that should be run
jobs:
build:
# Specify the machine to run the job on
runs-on: ubuntu-latest
# Define the steps to be taken in the job
steps:
# Installing scipion and miniconda dependencies
- name: Install dependencies
run: |
sudo apt-get update
sudo apt-get install -y wget gcc g++ libopenmpi-dev make
# Installing Miniconda
- name: Install Miniconda
working-directory: ${{ github.workspace }}/../
run: |
wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
bash Miniconda3-latest-Linux-x86_64.sh -b -p miniconda/
source miniconda/etc/profile.d/conda.sh
conda update -n base -c defaults conda -y
# Installing Scipion
- name: Install Scipion
working-directory: ${{ github.workspace }}/../
run: |
eval "$(miniconda/bin/conda shell.bash hook)"
pip3 install --user scipion-installer
python3 -m scipioninstaller -conda -noXmipp -noAsk scipion
# Installing scipion-chem
# Checkout to Pull Request branch if exists, by default stays in devel
- name: Install scipion-chem (in branch ${{ github.head_ref }} if exists)
working-directory: ${{ github.workspace }}/../
env:
REPO_NAME: scipion-chem
BRANCH_NAME: ${{ github.head_ref }}
run: |
git clone https://github.com/scipion-chem/$REPO_NAME.git
if [ $(git ls-remote --heads https://github.com/scipion-chem/$REPO_NAME.git $BRANCH_NAME | wc -l) -eq 1 ]; then
cd $REPO_NAME && git checkout $BRANCH_NAME && cd -
fi
scipion/scipion3 installp -p $REPO_NAME --devel
# Check out the repository in the pull request
- name: Checkout repository
uses: actions/checkout@v3
with:
ref: ${{ github.head_ref }}
# Install plugin from the pull request using the Scipion3 installp command
- name: Install plugin from pull request
working-directory: ${{ github.workspace }}
run: ../scipion/scipion3 installp -p . --devel
# Run all tests
- name: Run tests
working-directory: ${{ github.workspace }}/${{ vars.FOLDER_WITH_VERSION }}
run: |
eval "$(${{ github.workspace }}/../miniconda/bin/conda shell.bash hook)"
conda activate scipion3
python runTests.py ${{ github.workspace }}/../scipion/scipion3 ${{ vars.FOLDER_WITH_VERSION }} -noGPU -testData=testData.json