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Redesign of UI and stability improvements#14

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urban233 merged 96 commits into
mainfrom
gui-update
Mar 25, 2026
Merged

Redesign of UI and stability improvements#14
urban233 merged 96 commits into
mainfrom
gui-update

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This pull request introduces a new release (v1.4.0) of PySSA, updating the version across all relevant files, and significantly refactors the Windows installer build process. The build script now uses a standalone Python distribution, installs dependencies in a more robust and reproducible way, and applies necessary patches for PyMOL integration. Additionally, the installer and launcher workflow have been improved for better user experience on Windows.
Furthermore, the GUI has been completely rewritten using PyQt6 and a unified main window with an embedded PyMOL instance.

Key changes include:

Release and Installer Version Updates

  • Updated the version number from 1.3.1 to 1.4.0 in CITATION.cff, README.md, deployment/src/inno_setup/setup.iss, and deployment/src/inno_setup/setup_only_src.iss, as well as all installer file names and user-facing references. [1] [2] [3] [4] [5] [6] [7]

Windows Build System Refactor

  • Overhauled the automations/build_inno_setup.py build script to:
    • Use a standalone CPython 3.11 distribution downloaded and extracted at build time.
    • Install Python dependencies and PyMOL via pip inside the build environment.
    • Copy the PySSA source into the correct site-packages location.
    • Replace manual directory/file operations with utility methods for improved reliability.
    • Add explicit error handling and feedback for all critical file operations. [1] [2] [3] [4] [5]

PyMOL Integration and High DPI Support

  • Added a patched version of pymol_gl_widget.py to the deployment resources, enabling proper High DPI support and improved PyMOL widget behavior in the packaged application.
  • Ensured this and other PyMOL-related patches are applied during the build process.

Installer and Launcher Improvements

  • Changed installer output paths and names to match the new release structure.
  • Updated desktop and start menu shortcuts to launch PySSA via a new start_pyssa.bat launcher, which runs the correct Python interpreter and entry point in the user's local app data. [1] [2]

These changes collectively improve the reproducibility, maintainability, and user experience of the PySSA Windows distribution.

urban233 and others added 30 commits February 17, 2026 23:50
# Conflicts:
#	src/pyssa/controller/main_window_controller.py
kullik01 and others added 27 commits February 25, 2026 17:23
…edictProteinDialog, and PyMOL Viewer panel to improve clarity and consistency
# Conflicts:
#	src/pyssa/gui/main_window.py
…data/help`; clean up outdated and redundant descriptions
…ng, color definitions, and PyMOL event handling; streamline imports
…ation; streamline object naming and help panel updates
…nu structure and object naming for consistency
@urban233 urban233 self-assigned this Mar 25, 2026
@urban233 urban233 added the enhancement New feature or request label Mar 25, 2026
@urban233 urban233 merged commit 2525499 into main Mar 25, 2026
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