Installation

This document provides the installation instructions for jittor_geometric

System Requirements

  • Python: 3.7 or higher

  • GCC (Linux only): 5.4 or higher

  • CMake: 3.10 or higher

GPU Environment (optional)

  • CUDA: 11.2 (for NVIDIA GPU support)

  • cuDNN: Compatible with the installed CUDA version

Ascend Environment (optional)

  • CANN (Compute Architecture for Neural Networks) Toolkit: 6.0.1 or higher

  • Ascend Driver: Compatible with your hardware (e.g., Ascend 910B/910B1/910B2)

  • ACL Python API: Installed as part of the CANN Toolkit

  • AscendC Compiler: Included in the CANN Toolkit

Before running on Ascend, configure the environment variables:

source /usr/local/Ascend/ascend-toolkit/set_env.sh

Also ensure to preload the correct OpenMP library (adjust path to your environment):

export LD_PRELOAD=$CONDA_PREFIX/lib/libgomp.so.1

Dependencies

  • ase==3.24.0

  • astunparse==1.6.3

  • autograd==1.7.0

  • cupy==13.3.0

  • Flask==3.1.0

  • einops

  • huggingface_hub==0.27.1

  • jittor==1.3.9.14

  • numpy==1.24.0

  • pandas==2.2.3

  • Pillow==11.1.0

  • PyMetis==2023.1.1

  • pyparsing==3.2.1

  • pywebio==1.8.3

  • recommonmark==0.7.1

  • schnetpack==2.0.0

  • scikit_learn==1.6.1

  • scipy==1.15.1

  • setuptools==69.5.1

  • six==1.16.0

  • sphinx_rtd_theme==3.0.2

  • sympy==1.13.3

  • tqdm==4.66.4

Installation Steps

  1. Install Jittor:

    python -m pip install git+https://github.com/Jittor/jittor.git

  2. Installing other dependencies, such as:

    pip install astunparse==1.6.3 autograd==1.7.0 cupy==13.3.0 numpy==1.24.0 pandas==2.2.3 Pillow==11.1.0 PyMetis==2023.1.1 six==1.16.0 pyparsing==3.2.1 scipy==1.15.1 setuptools==69.5.1 sympy==1.13.3 tqdm==4.66.4 einops huggingface_hub==0.27.1

  3. Install the package:

    git clone https://github.com/AlgRUC/JittorGeometric.git
cd JittorGeometric
pip install .
  4. Verify the installation

    Run the gcn_example.py to check if jittor_geometric is installed correctly

Troubleshooting

  • Higher versions of cuda may not have been adapted, version 11.2 is recommended.

  • On Linux, ensure that GCC 5.4 or higher is installed.

  • Ensure that CMake 3.10 or higher is installed and accessible in your environment.

If you have any questions or would like to contribute, please feel free to contact runlin_lei@ruc.edu.cn.