Installation

This guide covers how to install KINTERA on various platforms.

Prerequisites

System Requirements

C++ Compiler: Support for C++17 (GCC 7+, Clang 5+, or MSVC 2017+)
CMake: Version 3.18 or higher
Python: Version 3.9 or higher
NetCDF: NetCDF C library

Python Dependencies

Required Python packages:

numpy
torch (version 2.7.0-2.7.1)
pyharp (version 1.7.2+)
pytest (for testing)

Platform-Specific Setup

Linux (Ubuntu/Debian)

Install system dependencies:

sudo apt-get update
sudo apt-get install -y build-essential cmake libnetcdf-dev

macOS

Install dependencies using Homebrew:

brew update
brew install cmake netcdf

Installation Methods

Quick Installation (PyPI)

The simplest way to install KINTERA:

# Install Python dependencies
pip install numpy 'torch==2.7.1' 'pyharp>=1.7.1'

# Install KINTERA
pip install kintera

Installation from Source

For the latest development version or to build with custom options:

Clone the repository:

git clone https://github.com/chengcli/kintera.git
cd kintera

Install Python dependencies:

pip install numpy 'torch==2.7.1' 'pyharp>=1.7.1'

Configure and build the C++ library:

cmake -B build
cmake --build build --parallel

Install the Python package:
```
pip install .
```

Building with CUDA Support

To build with CUDA support for GPU acceleration:

cmake -B build -DCUDA_ENABLE=ON
cmake --build build --parallel
pip install .

Verifying Installation

Test your installation:

import kintera
print(kintera.__version__)

# Check available classes
from kintera import ThermoOptions, ThermoX, SpeciesThermo
print("KINTERA installed successfully!")

Running Tests

If you installed from source, you can run the test suite:

cd build/tests
ctest

Development Installation

For development, install in editable mode with pre-commit hooks:

# Clone and navigate to repository
git clone https://github.com/chengcli/kintera.git
cd kintera

# Install dependencies
pip install numpy 'torch==2.7.1' 'pyharp>=1.7.1'
pip install pre-commit pytest

# Build C++ library
cmake -B build
cmake --build build --parallel

# Install Python package in editable mode
pip install -e .

# Set up pre-commit hooks
pre-commit install

Dependency Cache

KINTERA uses a dependency cache to speed up builds. After the first successful build:

Cache files are stored in the .cache directory
Subsequent builds can run offline
To force a clean rebuild:
```
rm -rf .cache build
```

Troubleshooting

Import Errors

If you encounter import errors, ensure:

Python dependencies are installed correctly
The C++ library was built successfully
You’re using Python 3.9 or higher

Build Failures

For build issues:

Ensure CMake version is 3.18 or higher: cmake --version
Check that you have a C++17-compatible compiler
Verify NetCDF is installed: nc-config --version

For more help, visit the GitHub Issues page.