From 9dc22ea602079f0075f3c5fbed252b65331f8d12 Mon Sep 17 00:00:00 2001 From: Kimoon Han Date: Wed, 15 Jan 2025 22:43:55 +0900 Subject: [PATCH] build: migrate project management to `uv` --- .github/workflows/ci.yml | 34 +- .github/workflows/release.yml | 21 +- .readthedocs.yaml | 13 +- docs/source/contributing.rst | 93 +- docs/source/getting-started.rst | 18 +- pyproject.toml | 57 +- src/erlab/accessors/fit.py | 4 +- src/erlab/analysis/gold.py | 2 +- tests/io/test_dataloader.py | 2 +- uv.lock | 2896 +++++++++++++++++++++++++++++++ 10 files changed, 2992 insertions(+), 148 deletions(-) create mode 100644 uv.lock diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 7c7b9e78..f664b8af 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -29,32 +29,30 @@ jobs: - uses: actions/checkout@v4 with: fetch-depth: 0 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v5 - with: - python-version: ${{ matrix.python-version }} - uses: tlambert03/setup-qt-libs@v1 - name: Setup for Qt testing run: | /sbin/start-stop-daemon --start --quiet --pidfile /tmp/custom_xvfb_99.pid --make-pidfile --background --exec /usr/bin/Xvfb -- :99 -screen 0 1920x1200x24 -ac +extension GLX - - name: Install pytest and dependencies + - name: Install uv + uses: astral-sh/setup-uv@v5 + with: + enable-cache: true + python-version: ${{ matrix.python-version }} + + - name: Install project with all extras run: | - python -m pip install --upgrade pip - python -m pip install -v .[viz,io,perf,misc,dev] ${{ matrix.qt-api }} - python -m pip list + uv sync --all-extras --dev --group ${{ matrix.qt-api }} export QT_API=${{ matrix.qt-api }} - name: Test with pytest if: matrix.python-version != '3.12' || matrix.qt-api != 'pyside6' - run: | - python -u -m pytest -v + run: uv run pytest - name: Test with pytest with coverage if: matrix.python-version == '3.12' && matrix.qt-api == 'pyside6' - run: | - python -u -m pytest -v --cov erlab --junitxml=junit.xml + run: uv run pytest -v --cov erlab --junitxml=junit.xml - name: Upload coverage to Codecov if: matrix.python-version == '3.12' && matrix.qt-api == 'pyside6' @@ -73,18 +71,18 @@ jobs: runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - - uses: actions/setup-python@v5 + + - name: Install uv + uses: astral-sh/setup-uv@v5 with: + enable-cache: true python-version: "3.12" - name: Install mypy and dependencies - run: | - python -m pip install --upgrade pip - python -m pip install .[viz,io,perf,misc,dev] mypy[reports,faster-cache] pyqt6 - python -m pip list + run: uv sync --all-extras --dev --group pyqt6 - name: Run mypy - run: mypy --install-types --non-interactive --html-report mypy-report . + run: uv run mypy --install-types --non-interactive --html-report mypy-report . - name: Upload mypy results uses: actions/upload-artifact@v4 diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml index 6146c3b7..06009629 100644 --- a/.github/workflows/release.yml +++ b/.github/workflows/release.yml @@ -37,21 +37,18 @@ jobs: changelog_increment_filename: body.md extra_requirements: "cz-changeup" - - name: Build package distributions - id: build + - name: Install uv if: env.REVISION != env.PREVIOUS_REVISION - run: | - python -m venv venv - source venv/bin/activate - python -m pip install --upgrade build - python -m build + uses: astral-sh/setup-uv@v5 + with: + enable-cache: true + python-version: "3.12" - - name: Publish package distributions to PyPI - id: pypi-publish + - name: Build and publish package distributions to PyPI if: env.REVISION != env.PREVIOUS_REVISION - uses: pypa/gh-action-pypi-publish@release/v1 - with: - verbose: true + run: | + uv build + uv publish --trusted-publishing always - name: Publish package distributions to GitHub Releases id: github-release diff --git a/.readthedocs.yaml b/.readthedocs.yaml index ff8b7511..eca42de9 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -8,7 +8,11 @@ version: 2 build: os: ubuntu-24.04 tools: - python: "3.11" + python: "3.12" + jobs: + post_install: + - pip install uv + - UV_PROJECT_ENVIRONMENT=$READTHEDOCS_VIRTUALENV_PATH uv sync --all-extras --group docs --link-mode=copy # Build documentation in the "docs/" directory with Sphinx sphinx: @@ -18,10 +22,3 @@ sphinx: # Optionally build your docs in additional formats such as PDF and ePub formats: - pdf - -# Optional but recommended, declare the Python requirements required -# to build your documentation -# See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html -python: - install: - - requirements: docs/requirements.txt diff --git a/docs/source/contributing.rst b/docs/source/contributing.rst index 70a57d1c..14859576 100644 --- a/docs/source/contributing.rst +++ b/docs/source/contributing.rst @@ -29,7 +29,7 @@ report `_, and this `article on minimal bug Creating a development environment ================================== -First, you will need to install ``git`` and ``conda`` (or ``mamba``). +First, you will need to install ``git`` if you do not already have it. Installing git -------------- @@ -84,21 +84,15 @@ Cloning the repository (main project) *erlabpy* repository. -.. _Installing conda: +.. _Installing uv: -Installing conda ----------------- +Installing uv +------------- -Before starting any development, you'll need to create an isolated environment under a -package manager like conda. If you don't have conda installed, the recommended way is to -install `miniforge `_. The Scikit-HEP project -has a `great guide `_ for installing -conda. - -.. hint:: - - - `Mamba `_ is a faster alternative to conda with - additional features. It is installed alongside conda when you install miniforge. +If you are used to working with virtual environments and package managers, the modern +way to install the package is with `uv `_. For installation +instructions, see the `uv documentation +`_. Editable installation from source --------------------------------- @@ -107,70 +101,21 @@ An editable installation allows you to make changes to the code and see the chan reflected in the package without having to reinstall it. Before installing: - Make sure you have `cloned the repository <#cloning-the-repository>`_. -- Make sure you have :ref:`installed conda or mamba `. -- ``cd`` to the *erlabpy* source directory. - -1. Create and activate a mamba (or conda) environment. - - .. note:: +- Make sure you have :ref:`installed uv `. - Replace :code:`` with the environment name you prefer. +1. Open a terminal and navigate to the root of the *erlabpy* repository. - .. hint:: - - If using conda, replace :code:`mamba` with :code:`conda`. +2. Run: .. code-block:: sh - mamba env create -f environment.yml -n - mamba activate - - -2. Build and install the package. - - .. note:: - - The ``editable_mode=compat`` setting enables static analysis tools to work with - the package. See `this issue `_ - for more information. - - .. code-block:: sh - - pip install -e ".[dev]" --config-settings editable_mode=compat - -These two steps will create the new environment, and not touch any of your existing -environments, nor any existing Python installation. - -To view your environments:: - - mamba env list - -To return to your root environment:: - - mamba deactivate + uv sync --all-extras --dev Updating the editable installation ---------------------------------- * For minor updates with editable installs, it is sufficient to just :ref:`update the - main branch `. - -* When there are changes to the dependencies, you should also update the environment: - - .. hint:: - - If using conda, replace :code:`mamba` with :code:`conda`. - - .. code-block:: bash - - mamba env update -f environment.yml -n - -* In case of major changes, it is recommended to rebuild the package. - - .. code-block:: bash - - mamba activate - pip install -e . --force-reinstall --no-deps --config-settings editable_mode=compat + main branch ` and run ``uv sync`` again. .. _development.workflow: @@ -430,19 +375,19 @@ Some other important things to know about the docs: Building the documentation locally ---------------------------------- -Check whether all documentation dependencies are installed with +Clone the repository and navigate to the root of the repository. Make sure you have +:ref:`installed uv `. Install the documentation dependencies by running: .. code-block:: sh - pip install -r docs/requirements.txt + uv sync --all-extras --dev --group docs then build the documentation by running: .. code-block:: sh - cd docs/ - make clean - make html + cd docs + uv run make html Then you can find the HTML output files in the folder ``erlabpy/docs/build/html/``. @@ -452,7 +397,7 @@ use Google Chrome as your browser, you could enter:: google-chrome build/html/index.html -in the terminal, running from within the ``doc/`` folder. You should now see a new tab +in the terminal, running from within the ``docs/`` folder. You should now see a new tab pop open in your local browser showing the documentation. The different pages of this local build of the documentation are linked together, so you can browse the whole documentation by following links the same way you would on the hosted website. diff --git a/docs/source/getting-started.rst b/docs/source/getting-started.rst index 144d2c24..c967b791 100644 --- a/docs/source/getting-started.rst +++ b/docs/source/getting-started.rst @@ -26,9 +26,17 @@ ERLabPy depends on a number of scientific python libraries. conda ----- -The recommended way to install ERLabPy is via conda. If you do not have conda installed, -follow the :ref:`conda installation instructions `. Once you have a -working conda environment, you can install ERLabPy with the conda command line tool: :: +The recommended way to install ERLabPy is via conda. If you are new to conda, the +Scikit-HEP project has a `great guide `_ +to get you started. + +.. hint:: + + - `Mamba `_ is a faster alternative to conda with + additional features. It is installed alongside conda when you install miniforge. + +Once you have a working conda environment, you can install ERLabPy with the conda +command line tool: :: conda install -c conda-forge erlab @@ -75,8 +83,8 @@ Optional dependency groups can be installed with the following commands: :: See the :ref:`optional dependencies` section for all available groups and their contents. -From source ------------ +From source (uv) +---------------- If you wish to install ERLabPy from source, see the :doc:`contributing`. diff --git a/pyproject.toml b/pyproject.toml index 042c7498..eee63145 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,14 +1,10 @@ -[build-system] -requires = ["setuptools>=61", "setuptools-scm>=8.0"] -build-backend = "setuptools.build_meta" - [project] name = "erlab" version = "3.5.1" authors = [{ name = "Kimoon Han", email = "khan@kaist.ac.kr" }] description = "Python package for ARPES data analysis and visualization." readme = "README.md" -requires-python = ">=3.11" +requires-python = ">=3.11,<3.13" keywords = ["Condensed Matter Physics", "ARPES"] license = { file = "LICENSE" } classifiers = [ @@ -22,7 +18,6 @@ classifiers = [ "Operating System :: OS Independent", ] dependencies = [ - # If you change anything here, also update environment.yml and docs/requirements.txt "findiff>=0.12.0", "h5netcdf>=1.2.0", "igor2>=0.5.9", @@ -50,31 +45,40 @@ viz = ["hvplot", "ipywidgets"] io = ["astropy>=5.1.1", "nexusformat>=1.0.6"] perf = ["numbagg>=0.8.1"] misc = ["iminuit>=2.25.2", "csaps>=1.1.0", "dask>=2024.4.1"] + +[dependency-groups] dev = [ - "mypy>=1.13.0", + "commitizen>=3.29.0", + "cz-changeup>=1.1.2", + "ipykernel>=6.29.5", + "mypy[faster-cache,reports]>=1.13.0", "pooch>=1.8.0", "pre-commit>=3.7.0", + "pytest>=8.3.0", "pytest-cov>=5.0.0", - "pytest-qt>=4.4.0", "pytest-datadir>=1.5.0", - "pytest>=8.3.0", - "commitizen>=3.29.0", - "cz-changeup>=1.1.2", + "pytest-qt>=4.4.0", "ruff>=0.9.1", ] docs = [ - "sphinx>=8.0.0", - "sphinx-autodoc-typehints", - "sphinx-copybutton", - "sphinxcontrib-bibtex", - "sphinx-qt-documentation", - "sphinx-notfound-page", - "pybtex", - "nbsphinx", - "myst-parser", - "furo>=2024.07.18", - "sphinx-design", + "furo>=2024.8.6", + "ipykernel>=6.29.5", + "myst-parser>=4.0.0", + "nbsphinx>=0.9.6", + "pybtex>=0.24.0", + "pyqt6>=6.8.0", + "sphinx>=8.1.3", + "sphinx-autodoc-typehints>=3.0.0", + "sphinx-copybutton>=0.5.2", + "sphinx-design>=0.6.1", + "sphinx-notfound-page>=1.0.4", + "sphinx-qt-documentation>=0.4.1", + "sphinxcontrib-bibtex>=2.6.3", + "sphinxcontrib-googleanalytics>=0.4", ] +pyqt6 = ["pyqt6>=6.8.0"] +pyside6 = ["pyside6>=6.8.1.1"] + [project.scripts] itool-manager = "erlab.interactive.imagetool.manager:main" @@ -88,6 +92,10 @@ Changelog = "https://github.com/kmnhan/erlabpy/blob/main/CHANGELOG.md" [project.entry-points."xarray.backends"] erlab-igor = "erlab.io.igor:IgorBackendEntrypoint" +[build-system] +requires = ["hatchling"] +build-backend = "hatchling.build" + [tool.commitizen] change_type_map = { "BREAKING CHANGE" = "💥 Breaking Changes", "feat" = "✨ Features", "fix" = "🐞 Bug Fixes", "perf" = "⚡️ Performance", "refactor" = "♻️ Code Refactor" } @@ -113,11 +121,6 @@ changeup_scope_prefix = "**" changeup_scope_suffix = "" changeup_scope_separator = ":** " -[tool.setuptools] -package-dir = { "" = "src" } - -[tool.setuptools_scm] - [tool.ruff] line-length = 88 indent-width = 4 diff --git a/src/erlab/accessors/fit.py b/src/erlab/accessors/fit.py index 19e43107..9ef4ec77 100644 --- a/src/erlab/accessors/fit.py +++ b/src/erlab/accessors/fit.py @@ -559,7 +559,7 @@ def _output_wrapper(name, da, out=None) -> dict: parallel_obj = joblib.Parallel(**parallel_kw) if parallel_obj.return_generator: - out_dicts = tqdm.tqdm( # type: ignore[call-overload] + out_dicts = tqdm.tqdm( parallel_obj( itertools.starmap( joblib.delayed(_output_wrapper), self._obj.data_vars.items() @@ -581,7 +581,7 @@ def _output_wrapper(name, da, out=None) -> dict: else: result = type(self._obj)() - for name, da in tqdm.tqdm(self._obj.data_vars.items(), **tqdm_kw): # type: ignore[call-overload] + for name, da in tqdm.tqdm(self._obj.data_vars.items(), **tqdm_kw): _output_wrapper(name, da, result) result = result.assign_coords( diff --git a/src/erlab/analysis/gold.py b/src/erlab/analysis/gold.py index ba73a0d6..c845bb25 100644 --- a/src/erlab/analysis/gold.py +++ b/src/erlab/analysis/gold.py @@ -282,7 +282,7 @@ def _fit(data, w): tqdm_kw = {"desc": "Fitting", "total": n_fits, "disable": not progress} if parallel_obj.return_generator: - fitresults = tqdm.tqdm( # type: ignore[call-overload] + fitresults = tqdm.tqdm( parallel_obj( joblib.delayed(_fit)(gold_sel.isel(alpha=i), weights[i]) for i in range(n_fits) diff --git a/tests/io/test_dataloader.py b/tests/io/test_dataloader.py index 6017a479..c0324205 100644 --- a/tests/io/test_dataloader.py +++ b/tests/io/test_dataloader.py @@ -305,7 +305,7 @@ def files_for_summary(self, data_dir): 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