diff --git a/.binder/postBuild b/.binder/postBuild index 71195648..06472a5a 100755 --- a/.binder/postBuild +++ b/.binder/postBuild @@ -3,10 +3,12 @@ set -ex curl -LsSf https://astral.sh/uv/install.sh | sh source $HOME/.cargo/env uv export \ - --extra jupyter \ - --extra notebooks \ + --group jupyter \ + --group notebooks \ + --no-dev \ > requirements.txt uv pip install \ --requirement requirements.txt \ --system +rm requirements.txt uv cache clean diff --git a/.envrc b/.envrc index 41fd2cab..4f10d2fa 100644 --- a/.envrc +++ b/.envrc @@ -1,2 +1,4 @@ uv sync --all-extras --quiet source .venv/bin/activate + +export PYTHONHASHSEED=0 diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml index fa26b05f..599ee3cf 100644 --- a/.github/workflows/benchmark.yml +++ b/.github/workflows/benchmark.yml @@ -20,21 +20,24 @@ on: jobs: benchmark: name: Performance regression - runs-on: ubuntu-22.04 + runs-on: ubuntu-24.04 steps: - uses: actions/checkout@v4 - - uses: ComPWA/actions/pip-install@v1 + - uses: actions/setup-python@v5 with: - editable: "yes" - extras: test,all - python-version: "3.9" - specific-packages: ${{ inputs.specific-pip-packages }} + python-version: "3.12" + - uses: astral-sh/setup-uv@v3 + with: + enable-cache: true - name: Run pytest-benchmark run: | - pytest \ - -k benchmark \ - --benchmark-json output.json \ - --durations=0 + uv run \ + --group test \ + --no-dev \ + pytest \ + -k benchmark \ + --benchmark-json output.json \ + --durations=0 working-directory: benchmarks - name: Store result if: github.event_name == 'push' diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 89abd367..cc5a64fe 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -28,7 +28,7 @@ on: jobs: doc: - uses: ComPWA/actions/.github/workflows/ci-docs.yml@v2 + uses: ComPWA/actions/.github/workflows/ci-docs.yml@v2.1 permissions: pages: write id-token: write @@ -37,9 +37,8 @@ jobs: python-version: "3.10" specific-pip-packages: ${{ inputs.specific-pip-packages }} pytest: - uses: ComPWA/actions/.github/workflows/pytest.yml@v2 + uses: ComPWA/actions/.github/workflows/pytest.yml@v2.1 with: - additional-extras: all coverage-target: tensorwaves macos-python-version: "3.9" specific-pip-packages: ${{ inputs.specific-pip-packages }} @@ -48,6 +47,6 @@ jobs: if: inputs.specific-pip-packages == '' secrets: token: ${{ secrets.PAT }} - uses: ComPWA/actions/.github/workflows/pre-commit.yml@v2 + uses: ComPWA/actions/.github/workflows/pre-commit.yml@v2.1 with: python-version: "3.10" diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index a3b765b7..400b280d 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -14,13 +14,13 @@ repos: - id: check-useless-excludes - repo: https://github.com/ComPWA/policy - rev: 0.5.0 + rev: 0.5.5 hooks: - id: check-dev-files args: - - --ci-test-extras=all - --dev-python-version=3.10 - --doc-apt-packages=graphviz + - --environment-variables=PYTHONHASHSEED=0 - --repo-name=tensorwaves - --repo-title=TensorWaves - --update-lock-files=monthly @@ -62,7 +62,7 @@ repos: metadata.vscode - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.7.0 + rev: v0.7.1 hooks: - id: ruff args: [--fix] @@ -128,7 +128,7 @@ repos: pass_filenames: false - repo: https://github.com/streetsidesoftware/cspell-cli - rev: v8.15.1 + rev: v8.15.2 hooks: - id: cspell @@ -154,11 +154,11 @@ repos: - python - repo: https://github.com/ComPWA/pyright-pre-commit - rev: v1.1.385 + rev: v1.1.386 hooks: - id: pyright - repo: https://github.com/astral-sh/uv-pre-commit - rev: 0.4.24 + rev: 0.4.28 hooks: - id: uv-lock diff --git a/.readthedocs.yml b/.readthedocs.yml index 940d9394..caf47d58 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -11,7 +11,11 @@ build: pixi global install graphviz uv - |- export UV_LINK_MODE=copy - uv run --extra doc --locked --with tox \ + uv run \ + --group doc \ + --locked \ + --no-dev \ + --with tox \ tox -e doc mkdir -p $READTHEDOCS_OUTPUT mv docs/_build/html $READTHEDOCS_OUTPUT diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md index f3ed8291..bb91a29f 100644 --- a/CONTRIBUTING.md +++ b/CONTRIBUTING.md @@ -15,12 +15,30 @@ cd tensorwaves Now it's simply a matter of creating and activating the [virtual environment](https://docs.astral.sh/uv/pip/environments) with [`uv sync`](https://docs.astral.sh/uv/reference/cli/#uv-sync). The dependencies for the project are 'pinned' in each commit through the [`uv.lock` file](https://docs.astral.sh/uv/concepts/projects/#project-lockfile). ```shell -uv sync +uv sync --all-extras source .venv/bin/activate ``` -Formatting and linting checks are automatically performed when committing changes. This is done with [pre-commit](https://pre-commit.com). To install the hooks in your local repository, run [`pre-commit install`](https://pre-commit.com/#3-install-the-git-hook-scripts) **once**: +Formatting and linting checks are automatically performed when committing changes. This is done with [pre-commit](https://pre-commit.com). To install the hooks in your local repository, run install `pre-commit` with `uv`: + +```shell +uv tool install pre-commit --with pre-commit-uv --force-reinstall +``` + +and [`pre-commit install`](https://pre-commit.com/#3-install-the-git-hook-scripts) **once**: ```shell pre-commit install --install-hooks ``` + +In addition, it may be handy to install `tox`: + +```shell +uv tool install tox --with tox-uv +``` + +If the repository provides a Tox configuration under [`pyproject.toml`](./pyproject.toml), you can see which jobs it defines with: + +```shell +tox list +``` diff --git a/docs/amplitude-analysis.ipynb b/docs/amplitude-analysis.ipynb index 7985eca3..52c68d7c 100644 --- a/docs/amplitude-analysis.ipynb +++ b/docs/amplitude-analysis.ipynb @@ -345,7 +345,7 @@ "source": [ "::::{margin}\n", ":::{tip}\n", - "{doc}`TR-018` explains some of the mechanisms behind the phase space generator as well as how to do {ref}`importance sampling`.\n", + "{doc}`TR-018` explains some of the mechanisms behind the phase space generator as well as how to do {ref}`importance sampling`.\n", ":::\n", "::::\n", "\n", diff --git a/docs/install.md b/docs/install.md index dc50dcd2..5e40bc56 100644 --- a/docs/install.md +++ b/docs/install.md @@ -155,6 +155,7 @@ python3 -m pip install "tensorwaves[jax,pwa] @ git+https://github.com/ComPWA/ten :::{include} ../CONTRIBUTING.md :start-after: **[compwa.github.io/develop](https://compwa.github.io/develop)**! +:end-before: If the repository provides a Tox configuration ::: That's all! Have a look at {doc}`/usage` to try out the package. You can also have a look at {doc}`compwa:develop` for tips on how to work with this 'editable' developer setup! diff --git a/docs/usage.ipynb b/docs/usage.ipynb index 17463de7..e8d2dbb2 100644 --- a/docs/usage.ipynb +++ b/docs/usage.ipynb @@ -318,7 +318,7 @@ " symbol = sp.Dummy(name)\n", " latex = sp.latex(symbol)\n", " values.append(f\"{latex}={value:.2g}\")\n", - " return f'${\",\".join(values)}$'" + " return f\"${','.join(values)}$\"" ] }, { diff --git a/pyproject.toml b/pyproject.toml index 4f9f8503..c15afddb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -49,26 +49,46 @@ name = "tensorwaves" requires-python = ">=3.9" [project.optional-dependencies] -all = [ - "tensorwaves[jax]", - "tensorwaves[numba]", - "tensorwaves[pwa]", - "tensorwaves[scipy]", - "tensorwaves[tensorflow]", - "tensorwaves[viz]", +jax = [ + "jax", + "jaxlib", +] +numba = ["numba"] +phsp = [ + "phasespace[tf] >=1.7.0", + "tensorwaves[tf]", ] +pwa = [ + "ampform[viz]>=0.12.0", + "tensorwaves[phsp]", +] +scipy = ["scipy >=1"] +tf = [ + "numpy~=1.0", + "tensorflow >=2.4", +] + +[project.readme] +content-type = "text/markdown" +file = "README.md" + +[project.urls] +Changelog = "https://github.com/ComPWA/tensorwaves/releases" +Documentation = "https://tensorwaves.rtfd.io" +Source = "https://github.com/ComPWA/tensorwaves" +Tracker = "https://github.com/ComPWA/tensorwaves/issues" + +[dependency-groups] dev = [ + "nbmake", + "ruff", "sphinx-autobuild", - "tensorwaves[all]", - "tensorwaves[doc]", - "tensorwaves[jupyter]", - "tensorwaves[sty]", - "tensorwaves[test]", - "tox", + {include-group = "doc"}, + {include-group = "jupyter"}, + {include-group = "style"}, + {include-group = "test"}, ] doc = [ - "jupyter", - "matplotlib", "myst-nb", "sphinx", "sphinx-api-relink", @@ -80,98 +100,52 @@ doc = [ "sphinx-thebe", "sphinx-togglebutton", "sphobjinv", - "tensorwaves[notebooks]", -] -jax = [ - "jax", - "jaxlib", - "tensorwaves[all]", + {include-group = "notebooks"}, ] jupyter = [ "jupyterlab", - "jupyterlab-code-formatter >=3.0.0", + "jupyterlab-code-formatter", "jupyterlab-git", "jupyterlab-lsp", "jupyterlab-myst", "python-lsp-ruff", "python-lsp-server[rope]", - "tensorwaves[doc]", + {include-group = "doc"}, ] notebooks = [ "black", "ipympl", + "matplotlib", "pandas", "tensorwaves[jax,pwa]", ] -numba = [ - "numba", -] -phasespace = [ - "tensorwaves[phsp]", -] -phsp = [ - "phasespace[tf] >=1.7.0", - "tensorwaves[tensorflow]", -] -pwa = [ - "ampform >=0.12.0", # https://github.com/ComPWA/ampform/pull/177 - "tensorwaves[phsp]", -] -scipy = [ - "scipy >=1", -] -sty = [ - "mypy >=0.570", # attrs support - "pre-commit-uv", - "ruff", - "tensorwaves[types]", -] -tensorflow = [ - "tensorwaves[tf]", +style = [ + "mypy", + {include-group = "types"}, ] test = [ - "ampform >=0.13", # https://github.com/ComPWA/ampform/issues/208 - "nbmake", - "pyarrow", # https://github.com/pandas-dev/pandas/issues/54466 + "ampform >=0.13", + "pyarrow", "pytest-benchmark", "pytest-cov", "pytest-xdist", - "tensorflow !=2.17.0", # https://github.com/ComPWA/tensorwaves/actions/runs/10274147572/job/28430227465?pr=530 - "tensorwaves[test-types]", + "tensorwaves[jax,numba,pwa]", + {include-group = "test-types"}, ] test-types = [ "ipython", # test _repr_pretty_ "pytest", "pytest-mock", ] -tf = [ - "numpy<2", - "tensorflow !=2.15.0.post1", # https://github.com/ComPWA/tensorwaves/actions/runs/7147814088/job/19467965144?pr=509 - "tensorflow >=2.4", # tensorflow.experimental.numpy -] types = [ "sphinx-api-relink", - "tensorwaves[jax]", - "tensorwaves[pwa]", - "tensorwaves[test-types]", + "tensorwaves[jax,pwa]", "types-PyYAML", "types-requests", "types-tensorflow", "types-tqdm", + {include-group = "test-types"}, ] -viz = [ - "graphviz", -] - -[project.readme] -content-type = "text/markdown" -file = "README.md" - -[project.urls] -Changelog = "https://github.com/ComPWA/tensorwaves/releases" -Documentation = "https://tensorwaves.rtfd.io" -Source = "https://github.com/ComPWA/tensorwaves" -Tracker = "https://github.com/ComPWA/tensorwaves/issues" [tool.setuptools] include-package-data = false @@ -267,6 +241,8 @@ reportUnusedFunction = true reportUnusedImport = true reportUnusedVariable = true typeCheckingMode = "strict" +venv = ".venv" +venvPath = "." [tool.pytest.ini_options] addopts = ["--color=yes"] @@ -609,6 +585,4 @@ allowlist_externals = commands = pre-commit run --all-files {posargs} description = Perform all linting, formatting, and spelling checks -setenv = - SKIP = pyright """ diff --git a/src/tensorwaves/estimator.py b/src/tensorwaves/estimator.py index c0a713e0..320ec387 100644 --- a/src/tensorwaves/estimator.py +++ b/src/tensorwaves/estimator.py @@ -88,7 +88,7 @@ def gradient_creator( return jax.grad(function) def raise_gradient_not_implemented( - parameters: Mapping[str, ParameterValue], # noqa: ARG001 + parameters: Mapping[str, ParameterValue], ) -> dict[str, ParameterValue]: msg = f"Gradient not implemented for back-end {backend}." raise NotImplementedError(msg) diff --git a/src/tensorwaves/function/sympy/__init__.py b/src/tensorwaves/function/sympy/__init__.py index 64097dad..05edb8b5 100644 --- a/src/tensorwaves/function/sympy/__init__.py +++ b/src/tensorwaves/function/sympy/__init__.py @@ -44,7 +44,7 @@ def create_function( function faster and speeds up lambdification. max_complexity: See :ref:`usage/faster-lambdify:Specifying complexity` and - :doc:`compwa-report:002`. + :doc:`compwa-report:002/index`. 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{ name = "jax" }, { name = "jaxlib" }, +] +numba = [ { name = "numba" }, +] +phsp = [ + { name = "numpy" }, + { name = "phasespace", extra = ["tf"] }, + { name = "tensorflow" }, +] +pwa = [ + { name = "ampform", extra = ["viz"] }, { name = "numpy" }, { name = "phasespace", extra = ["tf"] }, + { name = "tensorflow" }, +] +scipy = [ { name = "scipy" }, +] +tf = [ + { name = "numpy" }, { name = "tensorflow" }, ] + +[package.dependency-groups] dev = [ - { name = "ampform" }, + { name = "ampform", extra = ["viz"] }, { name = "black" }, - { name = "graphviz" }, { name = "ipympl" }, { name = "ipython" }, { name = "jax" }, { name = "jaxlib" }, - { name = "jupyter" }, { name = "jupyterlab" }, { name = "jupyterlab-code-formatter" }, { name = "jupyterlab-git" }, @@ -4164,7 +4032,6 @@ dev = [ { name = "numpy" }, { name = "pandas" }, { name = "phasespace", extra = ["tf"] }, - { name = "pre-commit-uv" }, { name = "pyarrow" }, { name = "pytest" }, { name = "pytest-benchmark" }, @@ -4174,7 +4041,6 @@ dev = [ { name = "python-lsp-ruff" }, { name = "python-lsp-server", extra = ["rope"] }, { name = "ruff" }, - { name = "scipy" }, { name = "sphinx" }, { name = "sphinx-api-relink" }, { name = "sphinx-autobuild" }, @@ -4187,27 +4053,22 @@ dev = [ { name = "sphinx-togglebutton" }, { name = "sphobjinv" }, { name = "tensorflow" }, - { name = "tox" }, { name = "types-pyyaml" }, { name = "types-requests" }, { name = "types-tensorflow" }, { name = "types-tqdm" }, ] doc = [ - { name = "ampform" }, + { name = "ampform", extra = ["viz"] }, { name = "black" }, - { name = "graphviz" }, { name = "ipympl" }, { name = "jax" }, { name = "jaxlib" }, - { name = "jupyter" }, { name = "matplotlib" }, { name = "myst-nb" }, - { name = "numba" }, { name = "numpy" }, { name = "pandas" }, { name = "phasespace", extra = ["tf"] }, - { name = "scipy" }, { name = "sphinx" }, { name = "sphinx-api-relink" }, { name = "sphinx-book-theme" }, @@ -4220,25 +4081,12 @@ doc = [ { name = "sphobjinv" }, { name = "tensorflow" }, ] -jax = [ - { name = "ampform" }, - { name = "graphviz" }, - { name = "jax" }, - { name = "jaxlib" }, - { name = "numba" }, - { name = "numpy" }, - { name = "phasespace", extra = ["tf"] }, - { name = "scipy" }, - { name = "tensorflow" }, -] jupyter = [ - { name = "ampform" }, + { name = "ampform", extra = ["viz"] }, { name = "black" }, - { name = "graphviz" }, { name = "ipympl" }, { name = "jax" }, { name = "jaxlib" }, - { name = "jupyter" }, { name = "jupyterlab" }, { name = "jupyterlab-code-formatter" }, { name = "jupyterlab-git" }, @@ -4246,13 +4094,11 @@ jupyter = [ { name = "jupyterlab-myst" }, { name = "matplotlib" }, { name = "myst-nb" }, - { name = "numba" }, { name = "numpy" }, { name = "pandas" }, { name = "phasespace", extra = ["tf"] }, { name = "python-lsp-ruff" }, { name = "python-lsp-server", extra = ["rope"] }, - { name = "scipy" }, { name = "sphinx" }, { name = "sphinx-api-relink" }, { name = "sphinx-book-theme" }, @@ -4266,56 +4112,27 @@ jupyter = [ { name = "tensorflow" }, ] notebooks = [ - { name = "ampform" }, + { name = "ampform", extra = ["viz"] }, { name = "black" }, - { name = "graphviz" }, { name = "ipympl" }, { name = "jax" }, { name = "jaxlib" }, - { name = "numba" }, + { name = "matplotlib" }, { name = "numpy" }, { name = "pandas" }, { name = "phasespace", extra = ["tf"] }, - { name = "scipy" }, { name = "tensorflow" }, ] -numba = [ - { name = "numba" }, -] -phasespace = [ - { name = "numpy" }, - { name = "phasespace", extra = ["tf"] }, - { name = "tensorflow" }, -] -phsp = [ - { name = "numpy" }, - { name = "phasespace", extra = ["tf"] }, - { name = "tensorflow" }, -] -pwa = [ - { name = "ampform" }, - { name = "numpy" }, - { name = "phasespace", extra = ["tf"] }, - { name = "tensorflow" }, -] -scipy = [ - { name = "scipy" }, -] -sty = [ - { name = "ampform" }, - { name = "graphviz" }, +style = [ + { name = "ampform", extra = ["viz"] }, { name = "ipython" }, { name = "jax" }, { name = "jaxlib" }, { name = "mypy" }, - { name = "numba" }, { name = "numpy" }, { name = "phasespace", extra = ["tf"] }, - { name = "pre-commit-uv" }, { name = "pytest" }, { name = "pytest-mock" }, - { name = "ruff" }, - { name = "scipy" }, { name = "sphinx-api-relink" }, { name = "tensorflow" }, { name = "types-pyyaml" }, @@ -4323,14 +4140,14 @@ sty = [ { name = "types-tensorflow" }, { name = "types-tqdm" }, ] -tensorflow = [ - { name = "numpy" }, - { name = "tensorflow" }, -] test = [ - { name = "ampform" }, + { name = "ampform", extra = ["viz"] }, { name = "ipython" }, - { name = "nbmake" }, + { name = "jax" }, + { name = "jaxlib" }, + { name = "numba" }, + { name = "numpy" }, + { name = "phasespace", extra = ["tf"] }, { name = "pyarrow" }, { name = "pytest" }, { name = "pytest-benchmark" }, @@ -4344,22 +4161,15 @@ test-types = [ { name = "pytest" }, { name = "pytest-mock" }, ] -tf = [ - { name = "numpy" }, - { name = "tensorflow" }, -] types = [ - { name = "ampform" }, - { name = "graphviz" }, + { name = "ampform", extra = ["viz"] }, { name = "ipython" }, { name = "jax" }, { name = "jaxlib" }, - { name = "numba" }, { name = "numpy" }, { name = "phasespace", extra = ["tf"] }, { name = "pytest" }, { name = "pytest-mock" }, - { name = "scipy" }, { name = "sphinx-api-relink" }, { name = "tensorflow" }, { name = "types-pyyaml" }, @@ -4367,95 +4177,158 @@ types = [ { name = "types-tensorflow" }, { name = "types-tqdm" }, ] -viz = [ - { name = "graphviz" }, -] [package.metadata] requires-dist = [ - { name = "ampform", marker = "extra == 'pwa'", specifier = ">=0.12.0" }, - { name = "ampform", marker = "extra == 'test'", specifier = ">=0.13" }, + { name = "ampform", extras = ["viz"], marker = "extra == 'pwa'", specifier = ">=0.12.0" }, { name = "attrs", specifier = ">=20.1.0" }, - { name = "black", marker = "extra == 'notebooks'" }, - { name = "graphviz", marker = "extra == 'viz'" }, { name = "iminuit", specifier = ">=2.0" }, - { name = "ipympl", marker = "extra == 'notebooks'" }, - { name = "ipython", marker = 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name = "phasespace", extras = ["tf"], marker = "extra == 'phsp'", specifier = ">=1.7.0" }, - { name = "pre-commit-uv", marker = "extra == 'sty'" }, - { name = "pyarrow", marker = "extra == 'test'" }, - { name = "pytest", marker = "extra == 'test-types'" }, - { name = "pytest-benchmark", marker = "extra == 'test'" }, - { name = "pytest-cov", marker = "extra == 'test'" }, - { name = "pytest-mock", marker = "extra == 'test-types'" }, - { name = "pytest-xdist", marker = "extra == 'test'" }, - { name = "python-lsp-ruff", marker = "extra == 'jupyter'" }, - { name = "python-lsp-server", extras = ["rope"], marker = "extra == 'jupyter'" }, { name = "pyyaml", specifier = ">=5.1" }, - { name = "ruff", marker = "extra == 'sty'" }, { name = "scipy", marker = "extra == 'scipy'", specifier = ">=1" }, - { name = "sphinx", marker = "extra == 'doc'" }, - { name = "sphinx-api-relink", marker = "extra == 'doc'" }, - { name = "sphinx-api-relink", marker = "extra == 'types'" }, - { name = 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