Fix and update Dockerfile #1807
Workflow file for this run
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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 }} | ||
if: runner.os != 'Windows' | ||
- name: Install Mamba (Windows) | ||
uses: mamba-org/setup-micromamba@v2 | ||
with: | ||
environment-file: environment-dev-win.yml | ||
create-args: >- | ||
python=${{ matrix.python-version }} | ||
if: runner.os == 'Windows' | ||
- 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: ${{ matrix.os }} | ||
strategy: | ||
fail-fast: false | ||
matrix: | ||
os: [macOS-latest, macOS-13, ubuntu-latest, windows-latest] | ||
python-version: ["3.12"] | ||
defaults: | ||
run: | ||
shell: bash -l {0} | ||
steps: | ||
- uses: actions/checkout@v4 | ||
name: Checkout Branch / Pull Request | ||
- name: Install Mamba (Linux) | ||
uses: mamba-org/setup-micromamba@v2 | ||
with: | ||
environment-file: environment-dev.yml | ||
create-args: >- | ||
python=${{ matrix.python-version }} | ||
if: runner.os != 'Windows' | ||
- name: Install Mamba (Windows) | ||
uses: mamba-org/setup-micromamba@v2 | ||
with: | ||
environment-file: environment-dev-win.yml | ||
create-args: >- | ||
python=${{ matrix.python-version }} | ||
if: runner.os == 'Windows' | ||
- 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 | ||
bleeding-edge-test: | ||
if: github.event.pull_request.draft == false | ||
name: Bleeding Edge mosdef Tests for mBuild | ||
runs-on: ubuntu-latest | ||
defaults: | ||
run: | ||
shell: bash -l {0} | ||
steps: | ||
- uses: actions/checkout@v4 | ||
name: Checkout Branch / Pull Request | ||
- name: Install Mamba | ||
uses: mamba-org/setup-micromamba@v2 | ||
with: | ||
environment-file: environment-dev.yml | ||
create-args: python=3.12 | ||
- name: Install Packages from Source | ||
run: | | ||
pip install -e . | ||
- name: Run Bleeding Edge Tests | ||
run: | | ||
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: ${{ env.DOCKER_TAGS }} | ||
build_docker_on_change: | ||
runs-on: ubuntu-latest | ||
name: Build Docker Image (no push) | ||
if: github.event_name == 'pull_request' | ||
needs: test | ||
steps: | ||
# Set up Docker Buildx | ||
- name: Set up Docker Buildx | ||
uses: docker/setup-buildx-action@v3 | ||
# Get Push Version | ||
- name: Get Push Version | ||
run: | | ||
echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:latest" >> $GITHUB_ENV | ||
if: github.ref_type == 'branch' | ||
# Docker Image Info | ||
- name: Docker Image Info | ||
run: | | ||
echo Docker Image tags: ${DOCKER_TAGS} | ||
# Build the Docker image without pushing | ||
- name: Build Docker Image | ||
uses: docker/build-push-action@v6 | ||
with: | ||
push: false # Don't push the image, just build | ||
tags: ${{ env.DOCKER_TAGS }} | ||
# Only run this job if Dockerfile is changed in the PR | ||
on: | ||
pull_request: | ||
paths: | ||
- 'Dockerfile' |