Add Python wrapper package

.github/workflows/ci-python-wrapper.yml

@@ -0,0 +1,94 @@
+name: CI (Python wrapper)
+
+on:
+  pull_request:
+    branches:
+      - main
+    paths:
+      - symbolic_regression_py/**
+      - symbolic_regression/**
+      - dynamic_expressions/**
+      - .cargo/**
+      - Cargo.toml
+      - .github/workflows/ci-python-wrapper.yml
+  push:
+    branches:
+      - main
+    paths:
+      - symbolic_regression_py/**
+      - symbolic_regression/**
+      - dynamic_expressions/**
+      - .cargo/**
+      - Cargo.toml
+      - .github/workflows/ci-python-wrapper.yml
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+env:
+  CARGO_TERM_COLOR: always
+
+jobs:
+  python-wrapper:
+    name: Python wrapper
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.12", "3.13"]
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+
+      - name: Install Rust
+        uses: actions-rust-lang/setup-rust-toolchain@v1
+
+      - name: Rust cache
+        uses: Swatinem/rust-cache@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install uv
+        uses: astral-sh/setup-uv@v5
+
+      - name: Install wrapper
+        run: uv pip install --system -e symbolic_regression_py
+
+      - name: Run Python wrapper tests
+        run: python -m unittest discover symbolic_regression_py/tests
+
+      - name: Build Python wrapper wheel
+        working-directory: symbolic_regression_py
+        run: uvx maturin build --out ../dist
+
+      - name: Test built wheel
+        working-directory: symbolic_regression_py
+        run: |
+          python -m venv "$RUNNER_TEMP/pysr-rust-backend-wheel"
+          . "$RUNNER_TEMP/pysr-rust-backend-wheel/bin/activate"
+          python -m pip install --upgrade pip
+          python -m pip install ../dist/*.whl
+          python -c "import numpy as np, symbolic_regression_rs; X=np.linspace(-1,1,24,dtype=np.float32).reshape(-1,1); y=X[:,0]; out=symbolic_regression_rs.search(X,y,options={'seed':0,'niterations':1,'populations':1,'population_size':16,'ncycles_per_iteration':20,'maxsize':10,'maxdepth':10,'deterministic':True,'progress':False},operators={2:['+','sub','*','/']},variable_names=['x0']); assert out['hall_of_fame']"
+
+      - name: Build source distribution
+        working-directory: symbolic_regression_py
+        run: uvx maturin sdist --out ../dist
+
+      - name: Test source distribution
+        working-directory: symbolic_regression_py
+        run: |
+          python -m venv "$RUNNER_TEMP/pysr-rust-backend-sdist"
+          . "$RUNNER_TEMP/pysr-rust-backend-sdist/bin/activate"
+          python -m pip install --upgrade pip
+          python -m pip install ../dist/*.tar.gz
+          python -c "import numpy as np, symbolic_regression_rs; X=np.linspace(-1,1,24,dtype=np.float32).reshape(-1,1); y=X[:,0]; out=symbolic_regression_rs.search(X,y,options={'seed':0,'niterations':1,'populations':1,'population_size':16,'ncycles_per_iteration':20,'maxsize':10,'maxdepth':10,'deterministic':True,'progress':False},operators={2:['+','sub','*','/']},variable_names=['x0']); assert out['hall_of_fame']"
+
+      - name: cargo check
+        run: cargo check -p symbolic_regression_rs_py
+
+      - name: cargo fmt --check
+        run: cargo fmt --check -p symbolic_regression_rs_py

.github/workflows/publish-python-wrapper.yml

@@ -0,0 +1,179 @@
+name: Publish Python wrapper
+
+on:
+  workflow_dispatch:
+    inputs:
+      publish_ref:
+        description: Tag, branch, or commit SHA to publish
+        required: true
+        type: string
+      repository:
+        description: Package index to publish to
+        required: true
+        default: testpypi
+        type: choice
+        options:
+          - testpypi
+          - pypi
+
+permissions:
+  contents: read
+
+jobs:
+  build-linux-wheels:
+    name: Build Linux wheels
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+        with:
+          ref: ${{ inputs.publish_ref }}
+
+      - name: Install Rust
+        uses: actions-rust-lang/setup-rust-toolchain@v1
+
+      - name: Rust cache
+        uses: Swatinem/rust-cache@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Build wheel
+        uses: PyO3/maturin-action@v1
+        with:
+          working-directory: symbolic_regression_py
+          command: build
+          args: --release -i python${{ matrix.python-version }} --out ../dist
+          manylinux: auto
+
+      - name: Test built wheel
+        run: |
+          python -m pip install --upgrade pip
+          python -c "import glob, subprocess, sys; wheels=glob.glob('dist/*.whl'); assert len(wheels) == 1, wheels; subprocess.check_call([sys.executable, '-m', 'pip', 'install', wheels[0]])"
+          python -c "import numpy as np, symbolic_regression_rs; X=np.linspace(-1,1,24,dtype=np.float32).reshape(-1,1); y=X[:,0]; out=symbolic_regression_rs.search(X,y,options={'seed':0,'niterations':1,'populations':1,'population_size':16,'ncycles_per_iteration':20,'maxsize':10,'maxdepth':10,'deterministic':True,'progress':False},operators={2:['+','sub','*','/']},variable_names=['x0']); assert out['hall_of_fame']"
+
+      - name: Upload wheel
+        uses: actions/upload-artifact@v4
+        with:
+          name: pysr-rust-backend-linux-wheel-${{ matrix.python-version }}
+          path: dist/*.whl
+          if-no-files-found: error
+
+  build-host-wheels:
+    name: Build ${{ matrix.os }} wheels
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [windows-latest, macos-13, macos-latest]
+        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13"]
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+        with:
+          ref: ${{ inputs.publish_ref }}
+
+      - name: Install Rust
+        uses: actions-rust-lang/setup-rust-toolchain@v1
+
+      - name: Rust cache
+        uses: Swatinem/rust-cache@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Build wheel
+        uses: PyO3/maturin-action@v1
+        with:
+          working-directory: symbolic_regression_py
+          command: build
+          args: --release --out ../dist
+          manylinux: off
+
+      - name: Test built wheel
+        run: |
+          python -m pip install --upgrade pip
+          python -c "import glob, subprocess, sys; wheels=glob.glob('dist/*.whl'); assert len(wheels) == 1, wheels; subprocess.check_call([sys.executable, '-m', 'pip', 'install', wheels[0]])"
+          python -c "import numpy as np, symbolic_regression_rs; X=np.linspace(-1,1,24,dtype=np.float32).reshape(-1,1); y=X[:,0]; out=symbolic_regression_rs.search(X,y,options={'seed':0,'niterations':1,'populations':1,'population_size':16,'ncycles_per_iteration':20,'maxsize':10,'maxdepth':10,'deterministic':True,'progress':False},operators={2:['+','sub','*','/']},variable_names=['x0']); assert out['hall_of_fame']"
+
+      - name: Upload wheel
+        uses: actions/upload-artifact@v4
+        with:
+          name: pysr-rust-backend-${{ matrix.os }}-wheel-${{ matrix.python-version }}
+          path: dist/*.whl
+          if-no-files-found: error
+
+  build-sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v4
+        with:
+          ref: ${{ inputs.publish_ref }}
+
+      - name: Install Rust
+        uses: actions-rust-lang/setup-rust-toolchain@v1
+
+      - name: Rust cache
+        uses: Swatinem/rust-cache@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Build source distribution
+        working-directory: symbolic_regression_py
+        run: |
+          python -m pip install --upgrade pip
+          python -m pip install "maturin>=1.8,<2"
+          maturin sdist --out ../dist
+
+      - name: Upload source distribution
+        uses: actions/upload-artifact@v4
+        with:
+          name: pysr-rust-backend-sdist
+          path: dist/*.tar.gz
+          if-no-files-found: error
+
+  publish:
+    name: Publish distributions
+    runs-on: ubuntu-latest
+    needs:
+      - build-linux-wheels
+      - build-host-wheels
+      - build-sdist
+    environment:
+      name: ${{ inputs.repository }}
+      url: ${{ inputs.repository == 'pypi' && 'https://pypi.org/p/pysr-rust-backend' || 'https://test.pypi.org/p/pysr-rust-backend' }}
+    permissions:
+      contents: read
+      id-token: write
+    steps:
+      - name: Download distributions
+        uses: actions/download-artifact@v4
+        with:
+          pattern: pysr-rust-backend-*
+          path: dist
+          merge-multiple: true
+
+      - name: Publish to TestPyPI
+        if: inputs.repository == 'testpypi'
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/
+          skip-existing: true
+          verbose: true
+
+      - name: Publish to PyPI
+        if: inputs.repository == 'pypi'
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          verbose: true

.gitignore

@@ -17,5 +17,7 @@ Cargo.lock
 !web_ui/package-lock.json
 web_ui/src/generated/defaultCsv.ts
 **/.playwright-browsers/**
+**/__pycache__/
+**/.pytest_cache/
 !symbolic_regression_wasm/.cargo/
 !symbolic_regression_wasm/.cargo/**

Cargo.toml

@@ -3,6 +3,7 @@ resolver = "2"
 members = [
     "dynamic_expressions",
     "symbolic_regression",
+    "symbolic_regression_py",
     "symbolic_regression_wasm",
 ]
 

README.md

@@ -16,13 +16,14 @@ Try out a fully browser-based demo of WebAssembly-compiled symbolic regression [
 > This package is an **experiment**. The API is not stabilized, and you should expect large breaking changes in the syntax.
 > This library is not ready for use.
 
-This workspace contains three crates:
+This workspace contains three Rust crates and one Python extension package:
 
 | Crate | crates.io | CI |
 |---|---|---|
 | [`symbolic_regression`](./symbolic_regression) | [![crates.io](https://img.shields.io/crates/v/symbolic_regression)](https://crates.io/crates/symbolic_regression) | [![CI (symbolic_regression)](https://github.com/astro-automata/symbolic_regression.rs/actions/workflows/ci-symbolic-regression.yml/badge.svg?branch=main)](https://github.com/astro-automata/symbolic_regression.rs/actions/workflows/ci-symbolic-regression.yml) |
 | [`dynamic_expressions`](./dynamic_expressions) | [![crates.io](https://img.shields.io/crates/v/dynamic_expressions)](https://crates.io/crates/dynamic_expressions) | [![CI (dynamic_expressions)](https://github.com/astro-automata/symbolic_regression.rs/actions/workflows/ci-dynamic-expressions.yml/badge.svg?branch=main)](https://github.com/astro-automata/symbolic_regression.rs/actions/workflows/ci-dynamic-expressions.yml) |
 | [`symbolic_regression_wasm`](./symbolic_regression_wasm) | [![crates.io](https://img.shields.io/crates/v/symbolic_regression_wasm)](https://crates.io/crates/symbolic_regression_wasm) | [![CI (Web UI)](https://github.com/astro-automata/symbolic_regression.rs/actions/workflows/ci-web.yml/badge.svg?branch=main)](https://github.com/astro-automata/symbolic_regression.rs/actions/workflows/ci-web.yml) |
+| [`symbolic_regression_py`](./symbolic_regression_py) | `pysr-rust-backend` package draft | [![CI (Python wrapper)](https://github.com/astroautomata/symbolic_regression.rs/actions/workflows/ci-python-wrapper.yml/badge.svg?branch=main)](https://github.com/astroautomata/symbolic_regression.rs/actions/workflows/ci-python-wrapper.yml) |
 
 ## Low-level API
 

symbolic_regression_py/Cargo.toml

@@ -0,0 +1,22 @@
+[package]
+name = "symbolic_regression_rs_py"
+version = "0.1.0"
+edition = "2021"
+license = "Apache-2.0"
+description = "Experimental Rust backend package for PySR."
+homepage = "https://github.com/astroautomata/symbolic_regression.rs"
+repository = "https://github.com/astroautomata/symbolic_regression.rs"
+publish = false
+
+[lib]
+name = "symbolic_regression_rs"
+crate-type = ["cdylib"]
+
+[dependencies]
+dynamic_expressions = { version = "0.10.1", path = "../dynamic_expressions", default-features = false }
+ndarray = "0.17"
+num-traits = "0.2"
+numpy = "0.29"
+pyo3 = { version = "0.29", features = ["extension-module"] }
+rayon = "1"
+symbolic_regression = { version = "0.12.2", path = "../symbolic_regression", default-features = false }