Metadata-Version: 2.4
Name: easypqp-rs
Version: 0.1.4
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Rust
Classifier: Programming Language :: Python :: Implementation :: PyPy
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Summary: Python bindings for EasyPQP-rs
Keywords: mass-spectrometry,bioinformatics,proteomics
Author-email: Justin Sing <justincsing@gmail.com>
License: BSD-3-Clause
Requires-Python: >=3.9
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
Project-URL: Homepage, https://github.com/singjc/easypqp-rs
Project-URL: Repository, https://github.com/singjc/easypqp-rs
Project-URL: Documentation, https://github.com/singjc/easypqp-rs

# easypqp-py: Python Bindings for EasyPQP

[![PyPI - Version](https://img.shields.io/pypi/v/easypqp-rs)](https://pypi.org/project/easypqp-rs/)


Python bindings for [EasyPQP rust library](https://github.com/justinsing/easypqp-rs). Currently, the rust library is mainly used for in-silico peptide query parameter generation.

## Prerequisites

### System Requirements

- **Rust**: 1.70 or newer
- **Python**: 3.10 or newer
- **Cargo**: Latest stable version
- **pip**: Python package manager

### Optional (Linux only)
For optimal binary compatibility on Linux, install `patchelf`:
```bash
# Debian/Ubuntu
sudo apt-get install patchelf

# Arch Linux
sudo pacman -S patchelf

# Via pip (alternative)
pip install maturin[patchelf]
```

## Installation

### Option 1: Development Installation (Editable Mode)

```bash
# Navigate to the easypqp-py directory
cd easypqp-py

# Install in development mode
maturin develop

# Or with optimizations enabled
maturin develop --release
```

### Option 2: Build and Install from Source

```bash
cd easypqp-py

# Build the wheel
maturin build

# Install the built wheel
pip install target/wheels/easypqp_rs-*.whl
```

### Option 3: Install via pip (when published)

```bash
pip install easypqp_rs
```

## Development

### Setting Up Development Environment

```bash
# Clone the repository
git clone https://github.com/justinsing/easypqp-rs.git
cd easypqp-rs/easypqp-py

# Install Rust (if not already installed)
curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh

# Install maturin
pip install maturin

# Set up Python virtual environment (optional but recommended)
python -m venv .venv
source .venv/bin/activate  # On Windows: .venv\Scripts\activate

# Install in development mode
maturin develop
```

### Common Build Commands

```bash
# Build in debug mode (faster builds)
maturin develop

# Build in release mode (optimized)
maturin develop --release

# Clean and rebuild
maturin develop --clean

# Build with specific features
maturin develop --features parquet

# Skip building dependencies
maturin develop --skip-install
```

### Testing the Installation

```python
import easypqp_rs

# Test basic functionality
print(easypqp_rs.__version__)  # Check if module loads
```
