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CI.yaml
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name: CI
on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
schedule:
- cron: "0 0 * * *"
jobs:
test:
if: github.event.pull_request.draft == false
name: mBuild Tests (python)
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
python-version: ["3.9", "3.10", "3.11", "3.12"]
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v4
name: Checkout Branch / Pull Request
- name: Install Mamba (Linux)
uses: mamba-org/setup-micromamba@v2
with:
environment-file: environment-dev.yml
create-args: >-
python=${{ matrix.python-version }}
- name: Install Package
run: python -m pip install -e .
- name: Test (OS -> ${{ matrix.os }} / Python -> ${{ matrix.python-version }})
run: python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs mbuild
- name: Upload Coverage Report
uses: codecov/codecov-action@v5
with:
name: mBuild-Coverage
verbose: true
files: ./coverage.xml
arch-test:
if: github.event.pull_request.draft == false
name: mBuild Tests (arch)
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-latest, macOS-13, ubuntu-latest]
python-version: ["3.12"]
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v4
name: Checkout Branch / Pull Request
- name: Install Mamba (Linux)
uses: mamba-org/setup-micromamba@v2
with:
environment-file: environment-dev.yml
create-args: >-
python=${{ matrix.python-version }}
- name: Install Package
run: python -m pip install -e .
- name: Test (OS -> ${{ matrix.os }} / Python -> ${{ matrix.python-version }})
run: python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs mbuild
wsl-test:
if: github.event.pull_request.draft == false
name: mBuild Tests (WSL)
runs-on: windows-latest
steps:
- uses: actions/checkout@v4
name: Checkout Branch / Pull Request
- uses: Vampire/setup-wsl@v4
with:
distribution: Ubuntu-24.04
wsl-shell-user: runner
name: Set up WSL
- name: Install mBuild and run pytest
shell: wsl-bash {0}
run: |
wget https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh -O $HOME/Miniforge3.sh
bash $HOME/Miniforge3.sh -b -p $HOME/miniforge
echo 'export PATH=$HOME/miniforge/bin:$PATH' >> ~/.bashrc
export PATH=$HOME/miniforge/bin:$PATH
source ~/.bashrc
source $HOME/miniforge/etc/profile.d/conda.sh
mamba update -n base --all -y
mamba env create -f environment-dev.yml python=3.12 -y
conda activate mbuild-dev
pip install -e . --prefix=$HOME/tmp_egginfo --no-build-isolation
python -m pytest -v --color yes --pyargs mbuild
docker:
runs-on: ubuntu-latest
needs: test
name: Build Docker Image
if: github.event_name != 'pull_request'
steps:
- name: Set up Docker Buildx
uses: docker/setup-buildx-action@v3
- name: Login to DockerHub
uses: docker/login-action@v3
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_PASSWORD }}
- name: Get Tagged Version
run: |
echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:stable" >> $GITHUB_ENV
if: github.ref_type == 'tag'
- name: Get Push Version
run: |
echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:latest" >> $GITHUB_ENV
if: github.ref_type == 'branch'
- name: Docker Image Info
run: |
echo Docker Image tags: ${DOCKER_TAGS}
- name: Build and Push
uses: docker/build-push-action@v6
with:
push: true
tags: ${{ env.DOCKER_TAGS }}