First commit

.github/workflows/python-publish.yml

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+# This workflow will upload a Python Package using Twine when a release is created
+# For more information see: https://help.github.com/en/actions/language-and-framework-guides/using-python-with-github-actions#publishing-to-package-registries
+
+name: Upload Python Package
+
+on:
+
+  push: {}
+
+  release:
+    types: [created]
+
+jobs:
+  quality:
+    name: Code QA
+    runs-on: ubuntu-latest
+    steps:
+    - run: sudo apt-get install -y pandoc # Needed by sphinx for notebooks
+    - uses: actions/checkout@v4
+    - uses: actions/setup-python@v5
+      with:
+        python-version: 3.x
+    - uses: pre-commit/[email protected]
+
+  checks:
+    strategy:
+      fail-fast: false
+      matrix:
+        platform: ["ubuntu-latest", "macos-latest"]
+        python-version: ["3.10"]
+
+    name: Python  ${{ matrix.python-version }} on ${{ matrix.platform }}
+    runs-on: ${{ matrix.platform }}
+
+    steps:
+    - uses: actions/checkout@v4
+
+    - uses: actions/setup-python@v2
+      with:
+        python-version: ${{ matrix.python-version }}
+
+    - name: Install
+      run: |
+        pip install -e .[all,tests]
+        pip freeze
+
+    - name: Tests
+      run: pytest
+
+  deploy:
+
+    if: ${{ github.event_name == 'release' }}
+    runs-on: ubuntu-latest
+    needs: [checks, quality]
+
+    steps:
+    - uses: actions/checkout@v4
+
+    - name: Set up Python
+      uses: actions/setup-python@v2
+      with:
+        python-version: 3.x
+
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install build wheel twine
+    - name: Build and publish
+      env:
+        TWINE_USERNAME: __token__
+        TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }}
+      run: |
+        python -m build
+        twine upload dist/*

.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
+.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/
+
+*.grib
+*.onnx
+*.ckpt
+*.swp
+*.npy
+*.download
+?
+?.*
+foo
+bar
+*.grib
+*.nc
+*.npz
+*.json
+*.zarr/
+~$images.pptx
+test.py
+cutout.png
+*.out
+
+_build/
+?
+?.*
+~*
+*.sync
+_version.py
+*.code-workspace

.pre-commit-config.yaml

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+repos:
+# Empty notebookds
+- repo: local
+  hooks:
+  - id: clear-notebooks-output
+    name: clear-notebooks-output
+    files: tools/.*\.ipynb$
+    stages: [commit]
+    language: python
+    entry: jupyter nbconvert --ClearOutputPreprocessor.enabled=True --inplace
+    additional_dependencies: [jupyter]
+- repo: https://github.com/pre-commit/pre-commit-hooks
+  rev: v4.6.0
+  hooks:
+  - id: check-yaml # Check YAML files for syntax errors only
+    args: [--unsafe, --allow-multiple-documents]
+  - id: debug-statements # Check for debugger imports and py37+ breakpoint()
+  - id: end-of-file-fixer # Ensure files end in a newline
+  - id: trailing-whitespace # Trailing whitespace checker
+  - id: no-commit-to-branch # Prevent committing to main / master
+  - id: check-added-large-files # Check for large files added to git
+  - id: check-merge-conflict # Check for files that contain merge conflict
+- repo: https://github.com/psf/black-pre-commit-mirror
+  rev: 24.4.2
+  hooks:
+  - id: black
+    args: [--line-length=120]
+- repo: https://github.com/pycqa/isort
+  rev: 5.13.2
+  hooks:
+  - id: isort
+    args:
+    - -l 120
+    - --force-single-line-imports
+    - --profile black
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  rev: v0.4.6
+  hooks:
+  - id: ruff
+    # Next line if for documenation cod snippets
+    exclude: '^[A-Za-z]\w*_\.py$'
+    args:
+    - --line-length=120
+    - --fix
+    - --exit-non-zero-on-fix
+    - --preview
+- repo: https://github.com/sphinx-contrib/sphinx-lint
+  rev: v0.9.1
+  hooks:
+  - id: sphinx-lint
+# For now, we use it. But it does not support a lot of sphinx features
+- repo: https://github.com/dzhu/rstfmt
+  rev: v0.0.14
+  hooks:
+  - id: rstfmt
+    exclude: 'cli/.*' # Because we use argparse
+- repo: https://github.com/b8raoult/pre-commit-docconvert
+  rev: "0.1.5"
+  hooks:
+  - id: docconvert
+    args: ["numpy"]
+- repo: https://github.com/b8raoult/optional-dependencies-all
+  rev: "0.0.6"
+  hooks:
+  - id: optional-dependencies-all
+    args: ["--inplace", "--exclude-keys=dev,docs,tests", "--group=dev=all,docs,tests"]
+- repo: https://github.com/tox-dev/pyproject-fmt
+  rev: "2.1.3"
+  hooks:
+  - id: pyproject-fmt

.readthedocs.yaml

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+version: 2
+
+build:
+  os: ubuntu-22.04
+  tools:
+    python: "3.11"
+
+sphinx:
+  configuration: docs/conf.py
+
+python:
+   install:
+    - requirements: docs/requirements.txt
+    - method: pip
+      path: .
+      extra_requirements:
+        - docs