Initial commit

.github/workflows/docker-publish.yml

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+# 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
+
+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@v2
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.11"
+
+      - name: Update lock file
+        run: uv lock --upgrade-package nomad-lab
+
+      # Commits any changes made to the lockfile
+      - name: Commit lock file changes
+        run: |
+          git config --global user.name github-actions
+          git config --global user.email [email protected]
+          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: Build and Push Docker Image
+  docker-publish:
+    name: Build Docker Image
+    runs-on: ubuntu-latest
+    needs: update-lockfile
+
+    strategy:
+      fail-fast: false
+      matrix:
+        service: [app, jupyter]
+    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.service == 'jupyter' && '/jupyter' || '' }}
+
+      - name: Build and push Docker image
+        uses: docker/build-push-action@v5
+        with:
+          context: .
+          cache-from: type=gha
+          cache-to: type=gha,mode=max
+          target: ${{ matrix.service == 'jupyter' && 'jupyter' || 'final' }}
+          push: ${{ github.event_name != 'pull_request' }}
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}

.github/workflows/initialize.yml

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+name: Template Repository Initialization
+
+on:
+  # Triggers the workflow on creation of repository
+  create:
+  workflow_dispatch:
+
+env:
+  # Use docker.io for Docker Hub if empty
+  REGISTRY: ghcr.io
+  # github.repository as <account>/<repo>
+  IMAGE_NAME: ${{ github.repository }}
+
+permissions:
+  contents: write
+
+jobs:
+  initialize_repository:
+    if: github.repository != 'FAIRmat-NFDI/nomad-distribution-template'
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v3
+
+      # Replaces the template repository name in the README with the new one
+      - name: Update README
+        run: |
+          sed -i "/# NOMAD Oasis Distribution/,/button on the right./d" README.md
+          export image_name="${{ github.repository }}"
+          sed -i "s|fairmat-nfdi/nomad-distribution-template|${image_name,,}|g" README.md
+          sed -i "s|FAIRmat-NFDI/nomad-distribution-template|${{ github.repository }}|g" README.md
+          sed -i "s|FAIRmat-NFDI|${{ github.repository_owner }}|g" README.md
+          sed -i "s|nomad-distribution-template|${{ github.event.repository.name }}|g" README.md
+          sed -i "s|template https://github.com/${{ github.repository }}|template https://github.com/FAIRmat-NFDI/nomad-distribution-template|g" README.md
+          sed -i "s|${{ github.repository }}/releases/latest|FAIRmat-NFDI/nomad-distribution-template/releases/latest|g" README.md
+          sed -i "s|@ git+https://github.com/${{ github.repository_owner }}|@ git+https://github.com/FAIRmat-NFDI|g" README.md
+
+      # Replaces the template repository name in the docker config file with the new one
+      - name: Update docker-compose.yaml
+        run: |
+          export image_name="${{ github.repository }}"
+          sed -i "s|fairmat-nfdi/nomad-distribution-template|${image_name,,}|g" docker-compose.yaml
+
+        # Replaces the template repository name in the nomad config with the new one
+      - name: Update nomad.yaml
+        run: |
+          export image_name="${{ github.repository }}"
+          sed -i "s|fairmat-nfdi/nomad-distribution-template|${image_name,,}|g" configs/nomad.yaml
+
+      # Deletes this workflow file to prevent it from running on branch creation
+      - name: Delete initialization workflow
+        run: rm .github/workflows/initialize.yml
+
+      # Commits all changes
+      - name: Commit repository initialization
+        run: |
+          git config --global user.name github-actions
+          git config --global user.email [email protected]
+          git commit -am "Repository initialization"
+          git push

.gitignore

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+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+#Pipfile.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+#poetry.lock
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#pdm.lock
+#   pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
+#   in version control.
+#   https://pdm.fming.dev/#use-with-ide
+.pdm.toml
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.pyenv
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#  and can be added to the global gitignore or merged into this file.  For a more nuclear
+#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
+#.idea/

.volumes/fs/north/users/.gitignore

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+*
+!.gitignore

.volumes/fs/public/.gitignore

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+*
+!.gitignore

.volumes/fs/staging/.gitignore

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+*
+!.gitignore

.volumes/fs/tmp/.gitignore

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+*
+!.gitignore

.volumes/mongo/.gitignore

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+*
+!.gitignore