Installation for Linux

Installation Guide for Linux

This installation method uses a version of moleditpy with OpenBabel disabled to avoid Segmentation fault issues caused by library conflicts. This is the recommended approach for many Linux distributions.

Prerequisites

• Python 3.x is installed.
• pip and venv are available.

⚠️ Notice Regarding Python 3.14 Installation Issues

Users attempting to install this project with Python 3.14 may encounter installation failures.

The Reason

The issue stems from a specific dependency conflict. A package this project depends on requires an older version of NumPy (e.g., numpy<2.0). However, no pre-compiled binary packages (wheels) are available for these older NumPy versions on Python 3.14.

Consequently, pip attempts to build this older NumPy from source, which will fail on most standard user environments.

Recommendation

To avoid this compilation issue, we strongly recommend using Python 3.11-3.13 for this project.

Installation Steps

1. Create and activate a virtual environment
   Open a terminal and run the following commands to create and activate a new virtual environment named moleditpy.

   python3 -m venv moleditpy  
   source moleditpy/bin/activate

2. Install the package
   Install the dedicated Linux package using pip.

   pip install moleditpy-linux

3. Install system dependencies
   This OS-level library might be required for Qt to function correctly.
   # For Debian/Ubuntu based systems

   sudo apt install libxcb-cursor0

4. Run the application
   You can now launch the application by typing its name in the terminal.

   moleditpy