Installation Guide#
MEGqc supports two installation pathways:
Installer-based installation (recommended for most users)
CLI-based installation (Conda + pip, recommended for advanced users)
1. Installer-based installation#
Use this pathway if you want a ready-to-run setup with minimal manual environment management.
What it does: provisions Python 3.10, creates a virtual environment, installs MEGqc, and creates launch/uninstall shortcuts.
2. CLI-based installation#
Use this pathway when you need terminal-first workflows, scripting, or reproducible environment setup under Conda.
Page: CLI-based installation
Recommended baseline: Python 3.10 in a dedicated Conda environment.
Installed commands#
After installation, these entry points are available in the active environment:
Command |
Purpose |
|---|---|
|
Launch GUI |
|
Calculation module |
|
Plotting module |
|
GQI recomputation |
|
Export default |
For usage and examples, go to the Tutorial.