upgrade nomad electronic parsers #113

Workflow file for this run

.github/workflows/docker-publish.yml at faf538e

	# Build and publish a Docker image.
	name: Build and publish docker images

	on:
	push:
	branches: ["main"]
	# Publish semver tags as releases.
	tags: ["v..*"]
	pull_request:
	branches: ["main"]
	# Allows you to run this workflow manually from the Actions tab
	workflow_dispatch:

	env:
	REGISTRY: ghcr.io
	UV_VERSION: 0.9
	PYTHON_VERSION: 3.12
	JUPYTER_VERSION: "2025-04-14"
	# If you want to include custom documentation, create a fork of the repo below and link the forked repo here
	NOMAD_DOCS_REPO: https://github.com/FAIRmat-NFDI/nomad-docs.git
	# If you want to skip the tests for some plugins, add them to the list below
	PLUGIN_TESTS_PLUGINS_TO_SKIP: \|
	workflowparsers
	nomad_porous_materials
	simulationworkflowschema
	databaseparsers
	soapnormalizer
	eelsdbparser
	atomisticparsers
	nomad_aitoolkit
	pynxtools_igor
	electronicparsers
	nomad_simulations

	permissions:
	contents: write
	packages: write
	attestations: write
	id-token: write

	jobs:
	# Job 1: Update Lock File
	update-lockfile:
	name: Update Python Lock File
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4
	with:
	ref: ${{ github.head_ref \|\| github.ref_name }}
	submodules: true

	- name: Install uv
	uses: astral-sh/setup-uv@v5
	with:
	version: ${{ env.UV_VERSION }}

	- uses: actions/setup-python@v5
	with:
	python-version: ${{ env.PYTHON_VERSION }}

	- name: Update lock file
	run: uv lock

	# Commits any changes made to the lockfile
	- name: Commit lock file changes
	if: github.ref_type != 'tag'
	run: \|
	git config --global user.name github-actions
	git config --global user.email github-actions@github.com
	git add uv.lock
	if [[ `git status --porcelain` ]]; then
	git commit -m "Update lockfile"
	git push origin -o ci.skip # prevent triggering the pipeline again
	fi

	# Job 2: Run unit tests for all of the plugin
	plugin_unit_tests:
	name: Run plugin unit tests
	needs: update-lockfile
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	group: [1, 2]
	env:
	PLUGIN_TESTS_CI_NODE_TOTAL: 2
	steps:
	- uses: actions/checkout@v4
	with:
	ref: ${{ github.head_ref \|\| github.ref_name }}
	submodules: true

	- name: Install uv
	uses: astral-sh/setup-uv@v5
	with:
	version: ${{ env.UV_VERSION }}

	- uses: actions/setup-python@v5
	with:
	python-version: ${{ env.PYTHON_VERSION }}

	- name: Run plugin tests
	env:
	PLUGIN_TESTS_CI_NODE_INDEX: ${{ matrix.group }}
	run: \|
	# replace the yaml list with a string, use a `,` to separate the plugins
	PLUGINS_STRING=$(echo "$PLUGIN_TESTS_PLUGINS_TO_SKIP" \| tr '\n' ',' \| sed 's/,$//')
	uv run \
	--extra plugins \
	--with "nomad-plugin-tests" \
	nomad-plugin-tests --plugins-to-skip "$PLUGINS_STRING"

	# Job 3: Build and Push Docker Image
	build:
	name: Build Docker Image
	runs-on: ubuntu-latest
	needs: update-lockfile

	strategy:
	fail-fast: false
	matrix:
	service:
	- app
	- jupyter
	# - cpu-action
	# - gpu-action
	include:
	- service: app
	target: final
	image_suffix: ""
	- service: jupyter
	target: jupyter
	image_suffix: /jupyter
	# - service: gpu-action
	# target: gpu_action_final
	# image_suffix: /gpu-action
	# - service: cpu-action
	# target: cpu_action_final
	# image_suffix: /cpu-action

	steps:
	- uses: actions/checkout@v4
	with:
	ref: ${{ github.head_ref \|\| github.ref_name }}
	submodules: true

	- uses: docker/setup-buildx-action@v3

	- uses: docker/login-action@v3
	with:
	registry: ${{ env.REGISTRY }}
	username: ${{ github.actor }}
	password: ${{ secrets.GITHUB_TOKEN }}

	- name: Extract Docker metadata
	id: meta
	uses: docker/metadata-action@v5
	with:
	images: ${{ env.REGISTRY }}/${{ github.repository }}${{ matrix.image_suffix }}

	- name: Build and push Docker image
	uses: docker/build-push-action@v5
	with:
	context: .
	build-args: \|
	UV_VERSION=${{ env.UV_VERSION }}
	PYTHON_VERSION=${{ env.PYTHON_VERSION }}
	NOMAD_DOCS_REPO=${{ env.NOMAD_DOCS_REPO }}
	JUPYTER_VERSION=${{ env.JUPYTER_VERSION }}
	cache-from: type=gha
	cache-to: type=gha,mode=max
	target: ${{ matrix.target }}
	push: true
	tags: ${{ steps.meta.outputs.tags }}
	labels: ${{ steps.meta.outputs.labels }}

	- name: Set image output
	run: \|
	FIRST_TAG=$(echo "${{ steps.meta.outputs.tags }}" \| head -n1)
	echo "${{ matrix.service }}_IMAGE=$FIRST_TAG" >> $GITHUB_ENV

	outputs:
	app_image: ${{ env.app_IMAGE }}
	jupyter_image: ${{ env.jupyter_IMAGE }}

	# Job 4: Run example upload tests and entrypoint tests
	run_tests:
	name: Run example upload tests and entrypoint tests
	needs: build
	runs-on: ubuntu-latest
	env:
	APP_IMAGE: ${{ needs.build.outputs.app_image }}
	JUPYTER_IMAGE: ${{ needs.build.outputs.jupyter_image }}

	steps:
	- uses: actions/checkout@v4
	with:
	ref: ${{ github.head_ref \|\| github.ref_name }}
	submodules: true

	- uses: docker/login-action@v3
	with:
	registry: ${{ env.REGISTRY }}
	username: ${{ github.actor }}
	password: ${{ secrets.GITHUB_TOKEN }}

	- name: Start containers and check app/jupyter container health
	working-directory: tests
	run: \|
	if ! docker compose up -d --quiet-pull --wait; then
	echo "Containers failed health check."
	echo "Logs for app:"
	docker logs app
	echo "Logs for jupyter:"
	docker logs jupyter
	exit 1
	fi

	- name: Install uv
	uses: astral-sh/setup-uv@v5
	with:
	version: ${{ env.UV_VERSION }}

	- uses: actions/setup-python@v5
	with:
	python-version: ${{ env.PYTHON_VERSION }}

	- name: Install dependencies
	run: uv sync --all-extras

	- name: Run tests
	working-directory: tests
	run: \|
	export PLUGINS_STRING=$(echo "$PLUGIN_TESTS_PLUGINS_TO_SKIP" \| tr '\n' ',' \| sed 's/,$//')
	uv run --extra plugins pytest -p no:warnings -sv

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upgrade nomad electronic parsers #113

Workflow file

upgrade nomad electronic parsers #113

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Workflow file for this run