3.4.0 - huge performance improvements via rust module

.github/workflows/continous_integration.yml

@@ -15,7 +15,7 @@ jobs:
     strategy:
       matrix:
         os: [ ubuntu-latest, windows-latest, macos-latest ]
-        python-version: [ '3.11', '3.12', '3.13' ]
+        python-version: [ '3.11', '3.12', '3.13', '3.14' ]
         include:
           - os: ubuntu-22.04
             python-version: '3.10'
@@ -43,23 +43,11 @@ jobs:
         uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
-      - name: Install dependencies for pypy3
-        if: ${{ matrix.python-version == 'pypy3' }}
-        run: pypy3 -m pip install -e .
-      - name: Install dependencies for CPython
-        if: ${{ matrix.python-version != 'pypy3' }}
+      - name: Set up Rust
+        uses: actions-rust-lang/setup-rust-toolchain@v1
+        with:
+          cache: false
+      - name: Install package
         run: python3 -m pip install -e .
-      - name: Build c extension for pypy3
-        if: ${{ matrix.python-version == 'pypy3' }}
-        run: pypy3 -m pip install ./c
-      - name: Build c extension for Cpython
-        if: ${{ matrix.python-version != 'pypy3' }}
-        run: python3 -m pip install ./c
-      - name: Run tests using Cpython
-        if: ${{ matrix.python-version != 'pypy3' }}
+      - name: Run tests
         run: python3 -m pynmrstar.unit_tests
-      - name: Run tests using Pypy
-        if: ${{ matrix.python-version == 'pypy3' }}
-        run: pypy3 -m pynmrstar.unit_tests
-        #- name: Launch interactive debug
-        #        uses: mxschmitt/action-tmate@v3

.github/workflows/manylinux_wheel_builder.yml

@@ -3,9 +3,6 @@ name: Build and upload to PyPI
 on:
   workflow_dispatch:
   pull_request:
-  push:
-    branches:
-      - v3
   release:
     types:
       - published
@@ -16,17 +13,27 @@ jobs:
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        # macos-13 is an intel runner, macos-14 is apple silicon
-        os: [ubuntu-latest, windows-latest, macos-13, macos-14]
+        os: [ubuntu-latest, windows-latest, macos-15, macos-15-intel]
 
     steps:
       - uses: actions/checkout@v4
 
+      - name: Set up Rust
+        uses: actions-rust-lang/setup-rust-toolchain@v1
+
       - name: Build wheels
         uses: pypa/cibuildwheel@v2.23.3
         env:
+          # Skip PyPy versions below 3.11 (PyO3 requirement) and 32-bit Linux (Rust unsupported)
+          CIBW_SKIP: "pp37-* pp38-* pp39-* pp310-* *-musllinux_i686 *-manylinux_i686"
           # Ensure cibuildwheel uses PEP 517 build
           CIBW_BUILD_FRONTEND: "build"
+          # Install Rust in the cibuildwheel environment
+          CIBW_BEFORE_ALL_LINUX: "curl https://sh.rustup.rs -sSf | sh -s -- --default-toolchain stable -y && source $HOME/.cargo/env"
+          CIBW_BEFORE_ALL_MACOS: "curl https://sh.rustup.rs -sSf | sh -s -- --default-toolchain stable -y && source $HOME/.cargo/env"
+          CIBW_BEFORE_ALL_WINDOWS: "rustup default stable"
+          CIBW_ENVIRONMENT_LINUX: 'PATH="$HOME/.cargo/bin:$PATH"'
+          CIBW_ENVIRONMENT_MACOS: 'PATH="$HOME/.cargo/bin:$PATH" MACOSX_DEPLOYMENT_TARGET=10.15'
 
       - uses: actions/upload-artifact@v4
         with:

.gitignore

@@ -45,6 +45,9 @@ coverage.xml
 *,cover
 .hypothesis/
 
+# Rust
+Cargo.lock
+
 # Translations
 *.mo
 *.pot

Cargo.toml

@@ -0,0 +1,12 @@
+[package]
+name = "pynmrstar_parser"
+version = "0.0.0"
+edition = "2021"
+
+[lib]
+name = "pynmrstar_parser"
+crate-type = ["cdylib"]
+
+[dependencies]
+pyo3 = { version = "0.27", features = ["extension-module"] }
+memchr = "2"