Changelog

All notable changes to CatGo are documented here. The format follows Keep a Changelog.

[1.0.1] — 2026-05-12

Added

• Agent-bridge sidecar — Claude Agent SDK chat now works in packaged Tauri builds. A Node sidecar process (catgo-agent) is bundled alongside the Python sidecar so CatBot streams responses without requiring a separate Node install on the user's machine.
• Linux installers — official .AppImage and .deb artifacts for x86_64 published with each release.
• MCP server endpoint — /api/mcp/ now responds in PyInstaller builds. External tools can drive CatGo over the Model Context Protocol.
• Persistent user data via ~/.catgo/ — workflow databases, panel state, and agent working directories persist across upgrades. Override the path with the CATGO_HOME environment variable.

Fixed

• Windows HPC connect — pywin32 helper libraries (pywintypes/pythoncom) are now bundled correctly, fixing ImportError when launching the workflow engine from a packaged install on Windows.
• AppImage DB path resolution — DB no longer writes under the read-only AppImage mount; resolution falls back to ~/.catgo/ automatically.
• macOS sidecar discovery — catgo-server sidecar uses the bundle basename, fixing failed launches in signed .app bundles.
• PyInstaller /api/mcp/ 404 — rfc3987_syntax .lark grammar files are now collected into the bundle, restoring the MCP HTTP transport.
• Claude SDK binary lookup in packaged builds — resolveClaudeExecutable() now resolves the CLI via PATH instead of the bun cache, eliminating "native binary not found" errors when CatBot starts.

Changed

• README citation now points to the ChemRxiv preprint instead of Zenodo.
• Project license metadata corrected from MIT to AGPL-3.0-or-later across all packages, matching the repository LICENSE.

[Unreleased]

Added

• Plugin system (Phase 0–5) — server-side plugin architecture with lifecycle management, dependency resolution, sandboxed execution, SFTP fallback, and frontend integration
• ABACUS input file export (INPUT, STRU, KPT) from structure viewer
• Force field conversion via Open Babel (GAFF, GAFF2, OPLS-AA) with CLI fallback
• Bond drag-to-connect — click and drag between atoms to create bonds with a real-time ghost bond preview
• Per-atom charge labels — right-click atom to toggle, drag to reposition, double-click to edit value
• Bulk show/hide all charge labels via context menu
• Manual charge value entry for atoms without Bader data
• Charge labels auto-hide when switching away from charge coloring mode and reappear when switching back
• Gaussian CUBE file visualization with isosurface rendering and 2D slice planes
• Materials Project API integration with band gap, energy, and stability data
• Paste structure content feature (Ctrl+Enter to import)
• Vacuum Box as standalone modal with ghost toolbar buttons
• wrap_molecule_in_box for non-periodic structures
• Depth cueing (fog effect) for visual depth perception
• Bond editing mode with add/delete functionality
• Atom drag UX: hold Shift+Alt to drag without clicking

Changed

• Depth cueing on bonds now fades toward the background color (VESTA-style) instead of just darkening
• Removed depth cueing slider from controls panel (setting still works via config)

Fixed

• AtomLegend × toggle visibility only working once (Svelte 5 $derived.by() Set tracking issue)
• Trajectory files (xyz.gz, traj, h5) from CatGo Database sidebar failing to load — binary files now handled properly via load_from_url
• Bond hitbox sensitivity reduced to prevent accidental selection when creating bonds
• Bond selection hit detection and deletion
• Scroll wheel rotation, supercell alignment, and context menu errors
• Slab cutter Y-axis flip from left-handed lattice
• Camera alignment with lattice after slab cut and supercell operations
• Right-handed lattice enforcement after slab generation
• TrackballControls camera snap-back during Ctrl key press
• Measurement lines follow atom positions during drag/rotate
• Bonds display correctly after rotation
• Camera recentering prevented during atom manipulation
• Index-keyed maps cleared when atom count changes to prevent snap-back
• Pencil mode ghost fix after slab cut

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[0.3.2] - 2026-02-02

Added

• WASM slab generation functions (wasm_generate_slab, wasm_detect_layers)
• Ferrox upstream sync with latest Rust crate features
• Bundled backend CI support

Changed

• Atom drag/rotate performance optimization

Fixed

• CI workflow improvements and duplicate release workflow removal
• Standardized pnpm usage across GitHub Actions

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[0.3.1] - 2026-02-02

Added

• Desktop landing page for Tauri app
• Pencil/draw mode for adding atoms with bond preview
• Periodic table embedded in search modals

Fixed

• Slab cutting NaN lattice parameters
• Atom labels and axis vectors after slab cut
• Settings persistence across sessions

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[0.3.0] - 2026-02-01

Added

• Python computation server bundled with desktop app
• Bundled backend build scripts (pnpm bundle)

Fixed

• Removed unnecessary binaries directory
• Removed unnecessary shell permissions from Tauri config

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[0.2.3] - 2026-02-01

Added

• VASP input file generation
• Adsorption site finder (atop, bridge, hollow)
• OPTIMADE database search integration
• PubChem molecular search integration
• MACE and EMT calculator support
• UFF local optimizer (WASM-based, no server needed)
• Slab generation via WASM bindings
• Molecule import and handling
• Supercell transformation
• Multi-pane desktop layout
• ferrox-wasm integration (bonding, neighbor lists, symmetry)

Fixed

• Desktop-specific TypeScript and Svelte config for CI builds

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[0.1.17] - 2026-01-26

Changed

• Renamed project to CatGo

Added

• Import file button in toolbar

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[0.1.15] - 2026-01-26

Added

• Tauri-specific file handling for import and export
• Drag-and-drop support for desktop app
• File permissions expanded for Tauri

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[0.1.13] - 2026-01-26

Added

• Initial desktop app release (Tauri 2.0)
• macOS bundle category configuration
• CLAUDE.md project instructions

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Version History Summary

Version	Date	Highlights
0.3.2	2026-02-02	WASM slab functions, performance optimization
0.3.1	2026-02-02	Desktop landing page, pencil mode, periodic table in modals
0.3.0	2026-02-01	Bundled Python backend with desktop app
0.2.3	2026-02-01	Major feature expansion (database search, optimization, slab cutter)
0.1.17	2026-01-26	Rename to CatGo
0.1.13	2026-01-26	Initial desktop app release