Releases: Hello-QM/catgo-LRG
v1.4.1
CatGo v1.4.1 — AI-driven workbench for computational materials science
One window for the whole loop: read almost any code's files → build & edit → run DFT / ML / MD → submit to HPC → analyse → publish. Ships with the bundled backend server (MLP libraries excluded to keep the download lean).
Headline: CatGo now updates itself — installed Windows & macOS builds notice new releases and update in one click. macOS builds are Developer-ID signed, and CatGo is now on the iOS App Store.
⬇️ Downloads
| Platform | File | Notes |
|---|---|---|
| Windows | CatGo_1.4.1_x64-setup.exe (recommended) or .msi |
the -setup.exe also puts the catgo CLI on PATH |
| macOS (Apple Silicon) | CatGo_1.4.1_aarch64.dmg |
Developer-ID signed |
| Linux | CatGo_1.4.1_amd64.deb / CatGo-1.4.1-1.x86_64.rpm |
|
| Android | CatGo-v*-android-universal.apk |
|
| iOS | App Store / TestFlight beta |
💻 Installation
- Windows — run the
-setup.exeinstaller (recommended; installs thecatgoCLI socatgo viewworks; the.msiinstalls the app only). Unsigned: if SmartScreen warns, More info → Run anyway. - macOS — open the
.dmg, drag CatGo to Applications. Developer-ID signed; the first launch needs right-click → Open → Open (full notarization is coming in a follow-up). - Linux —
sudo dpkg -i CatGo_1.4.1_amd64.deb(orsudo rpm -i CatGo-1.4.1-1.x86_64.rpm)
✨ New in 1.4.1
- In-app auto-update — Windows & macOS notice new releases and update with one click (download the signed bundle → relaunch). Linux (
.deb/.rpm) shows a "new version" banner that opens the download page. The banner appears only when a newer release exists.- Note: this is the first build that ships the updater, so existing 1.4.0 users need to install 1.4.1 manually once; updates from 1.4.1 onward are automatic.
- Developer-ID signed macOS — the
.dmg/.appare code-signed (first launch: right-click → Open). - Bonds preserved when adding a lattice — adding a periodic box to a molecule (Build → Lattice) no longer drops the bonds; fractional coords are recomputed correctly, including non-orthogonal cells.
- Search Database fixed — OPTIMADE providers retry on cold start, so it's no longer PubChem-only.
- Image export — high-DPI cropped exports render the selected sub-view directly (aligned, no clipping); PNG files now carry correct DPI (
pHYs) metadata. - VS Code extension — trajectory playback no longer janks (off-thread bond recompute).
- Plots — electronic-structure axis titles no longer overlap tick labels at large fonts.
- iOS — CatGo is now on the App Store (static viewer build); the web "Get the App" button is embedded in the landing page.
🧰 Highlights (the workbench)
- Reads ~30 formats — VASP, Quantum ESPRESSO, CP2K, ABACUS, ORCA, Gaussian, CASTEP, SIESTA, OpenMX, LAMMPS, ASE
.traj, phonopy, HDF5, CIF, XYZ/extXYZ, mol2, PDB, cube/CHGCAR — inputs and outputs - Writes ready-to-run decks — VASP, QE, CP2K, ABACUS, ORCA, Gaussian, LAMMPS, GROMACS, AMBER, SPARK (headers & keywords preserved)
- Multi-pane workspace — tabs, split-view, pop-outs; each pane an independent structure/trajectory
- CatBot AI copilot (Claude / Codex / Gemini / Ollama / DeepSeek …) + visual DAG workflow engine + HPC submit/monitor
- Builders — slabs, adsorbates, moiré, nanotubes, heterostructures, nanoparticles, MOFs, doping, passivation
- Analysis — DOS / band / COHP, Brillouin zone, XRD, phase diagrams, Gibbs & volcano plots
- Built-in xTB / EMT calculators · OPTIMADE & PubChem search · HD render & trajectory video export
Full list: CHANGELOG
v1.4.0
CatGo — AI-driven workbench for computational materials science
One window for the whole loop: read almost any code's files → build & edit → run DFT / ML / MD → submit to HPC → analyse → publish. Ships with the bundled backend server (MLP libraries excluded to keep the download lean).
Downloads
- Windows —
-setup.exe(recommended) or.msi - macOS —
.dmg(Apple Silicon M1/M2/M3) - Linux —
.deb(and.rpm) - Android —
CatGo-v1.4.0-android-universal.apk - iOS — TestFlight beta
Installation
- Windows — run the
-setup.exeinstaller (recommended; it puts thecatgoCLI on your PATH socatgo viewworks). The.msiinstalls the app but not the CLI.- Unsigned this release: if Windows SmartScreen warns, click More info → Run anyway. (Code signing is coming in a later build.)
- macOS — open the
.dmgand drag CatGo to Applications. Unsigned this release: the first launch needs right-click → Open → Open (signing/notarization is coming next). - Linux —
sudo dpkg -i CatGo_*_amd64.deb(orsudo rpm -i) - Android — install
CatGo-v1.4.0-android-universal.apk - iOS — join the TestFlight beta
New in 1.4.0
catgo view/catgo guiCLI — open structures & trajectories likease gui:catgo view */POSCARstacks files into one trajectory, per-file@SLICEframe selection,--interpolate(IDPP), and headless-g/-tconvergence plots. On a packaged install, runningcatgo viewwith no app open launches CatGo and shows the structure.- Nanoparticle / cluster builder — Wulff, octahedron, icosahedron, decahedron (via
ase.cluster), in the Build panel, the CLI (catgo nanoparticle), and thecatgo_nanoparticleMCP tool. - Random concentration doping — substitute N of a host element with a dopant mix at random sites, with seed & dedup.
- Web "Get the App" — the browser build now surfaces a one-click download (Windows/macOS/Linux/Android + iOS TestFlight) instead of a bare GitHub link.
Highlights
- Reads ~30 formats — VASP, Quantum ESPRESSO, CP2K, ABACUS, ORCA, Gaussian, CASTEP, SIESTA, OpenMX, LAMMPS, ASE
.traj, phonopy, HDF5, CIF, XYZ/extXYZ, mol2, PDB, cube/CHGCAR — inputs and outputs - Writes ready-to-run decks — VASP, QE, CP2K, ABACUS, ORCA, Gaussian, LAMMPS, GROMACS, AMBER, SPARK
- Multi-pane workspace — tabs, split-view and pop-outs
- CatBot AI copilot (Claude / Codex / Gemini / Ollama / DeepSeek …) + visual DAG workflow engine + HPC submit/monitor
- Builders — slabs, adsorbates, moiré, nanotubes, heterostructures, nanoparticles, MOFs, doping, passivation
- Analysis — DOS / band / COHP, Brillouin zone, XRD, phase diagrams, Gibbs & volcano plots
See the CHANGELOG for the full list.
CatGo v1.3.4
A small but important follow-up to v1.3.3: it fixes an HPC connection that dropped to "session expired" the moment you browsed certain remote homes. Includes everything from v1.3.3. All platform builds are attached below.
Fixes
- HPC: "session expired" the instant you connect. Browsing a remote home whose dotfiles include a non-UTF-8 file (e.g. a binary
.pid, a VESTA lock, or an ISO-8859 config) instantly tore down the SSH connection. On connect, the read-many prefetch runshead -c N <file>across a batch of dotfiles;asyncsshdecoded that command channel as UTF-8, a byte like0xfdmade the decode raise, and asyncssh sent a protocol disconnect that killed the whole connection — so the next directory listing reported "session expired". Clusters with all-text homes (e.g. Expanse) were unaffected, which made it look connection-specific. The read-many command now reads raw bytes and decodes defensively, so a binary dotfile yields replacement characters in that one file's preview instead of dropping the session. (#421) - README: fixed the broken English ⇄ 简体中文 cross-links (they pointed at non-existent
readme_new.*files). (#420)
Also in this release (from v1.3.3)
Teaching workflow templates run end to end (fan-out generators, MLP routing, free-energy diagrams, generic analysis nodes), VASP NEB multi-image input generation, CatBot reliability fixes (Claude settings env fallback, SDK permission cards), and the redesigned English & Chinese READMEs. See the v1.3.3 notes for the full list.
Downloads
| System | File |
|---|---|
| Windows | CatGo_1.3.4_x64-setup.exe · CatGo_1.3.4_x64_en-US.msi |
| macOS (Apple Silicon) | CatGo_1.3.4_aarch64.dmg |
| Linux | CatGo_1.3.4_amd64.deb · CatGo-1.3.4-1.x86_64.rpm |
| Android | CatGo-v1.3.4-android-universal.apk |
| iOS | CatGo-v1.3.4-ios-arm64.ipa · TestFlight beta |
| VS Code | catgo-1.3.4.vsix (also on the Marketplace) |
| Server / HPC | catgo-server-* binaries · catgo-hpc-bundle.tar.gz |
Full changelog: v1.3.3...v1.3.4
CatGo v1.3.3
CatGo v1.3.3 focuses on making the visual workflow engine actually run end to end, hardening CatBot, and refreshing the docs. All platform builds are attached below.
Highlights
- Teaching workflow templates now run end to end. The editor's demo templates — band structure, surface energy, adsorption screening, elastic tensor, MLP phonon, the HER/OER/ORR/NRR/CO₂RR catalysis recipes, NEB, and more — execute locally with an MLP or route correctly to HPC and produce real per-node results. This fixes fan-out generators,
calc → MLProuting, free-energy diagrams, genericanalysisnodes, and several silent "completed-but-empty" failures. - VASP NEB multi-image input generation.
nebnodes now generate proper image subdirectories (00…0N) plus the NEB INCAR tags (IMAGES / IBRION / SPRING / LCLIMB) on both the local-preview and HPC paths, with the product endpoint resolved from a second structure input. - CatBot reliability. The Claude Code provider reads
~/.claude/settings.jsonenv as a fallback (fixes blank replies behind a local proxy), and SDK tool-permission cards no longer hang on "Thinking…" after you click Allow. - Redesigned English & Chinese READMEs with clearer onboarding, a version-proof download table, an AI-agent build path, and the iOS TestFlight beta link.
Workflow engine
- Fan-out generators (
loop/doping_gen/batch_*) bridge their structures to downstream calc nodes; MLP batch results re-fan sogeo_opt → single_point/freqchains no longer collapse to a single structure. - Added
(single_point / freq / cell_opt → MLP)routing and registeredmlp_single_point/mlp_vibrations/mlp_neb. free_energyis routed to its analysis handler (it was a no-op that left every recipe's final node empty).execute_local_nodere-raises on failure, so errors surface as FAILED instead of a false "completed".- Adsorbate-only freeze for frequency calculations in catalysis recipes (#407, #412).
JobScriptParamsacceptspotcar_root/potcar_functional, andpotcar_rootis read fromhpc.job_defaults(#411, #409).- Reset clears a stale
hpc_job_id/work_dirso a re-run submits fresh (#408). - A locked
slab_genstructure is honored for HPC instead of being regenerated (#406). batch_submitterresolvesbase_work_dir(#416).- Running a workflow no longer returns a 500 from a broken log pipe or CORS-less error (#404).
- MLP nodes no longer show irrelevant VASP parameters (
kpoints,ENCUT, …) in the editor.
Viewer & analysis
- Charge / COHP remote import, cube periodicity, and slice-plane UX (#403).
- DOS: parse adjacent signed PROCAR floats (#402).
HPC & platform
- Support
conn.run(input=)on the subprocess-SSH and local runners (#405). - Bind
fetchtoglobalThisfor managed downloads on WebKitGTK (#400). - Terminal left inset so xterm content is not flush against the pane edge (#401).
Downloads
| System | File |
|---|---|
| Windows | CatGo_1.3.3_x64-setup.exe · CatGo_1.3.3_x64_en-US.msi |
| macOS (Apple Silicon) | CatGo_1.3.3_aarch64.dmg |
| Linux | CatGo_1.3.3_amd64.deb · CatGo-1.3.3-1.x86_64.rpm |
| Android | CatGo-v1.3.3-android-universal.apk |
| iOS | CatGo-v1.3.3-ios-arm64.ipa · TestFlight beta |
| VS Code | catgo-1.3.3.vsix (also on the Marketplace) |
| Server / HPC | catgo-server-* binaries · catgo-hpc-bundle.tar.gz |
Full changelog: v1.3.2...v1.3.3
v1.3.2
CatGo v1.3.2
AI-driven workbench for computational materials science — a 3D structure / trajectory editor + workflow engine, shipped as a desktop app, a mobile build, and a VS Code extension with a Python backend.
This release focuses on the 3D viewer: publication-style render modes, per-material lighting you can aim, and full bond-order perception (double / triple / aromatic) — including across carbon-framework catalysts like graphene and C₃N₄.
✨ What's new
Viewer render styles — a per-material shading mode next to the colour scheme:
- Glossy (specular) · Matte (diffuse) · Toon (3-band cel/cartoon with a silhouette outline). 中文: 光泽 / 哑光 / 卡通.
Per-material lighting controls — a new Lighting group:
- Light azimuth + elevation (aim the headlamp), directional + ambient intensity, and highlight (specular) strength — all update live.
- Each render style keeps its own lighting profile, remembered per material.
- Fixes the viewer headlamp, which was lit from the lower-left → now lit from above.
Bond orders in the 3D viewer (Bond orders / 键级, off by default):
- Perceives double / triple / aromatic orders across the whole structure — molecular adsorbates and carbon-framework catalysts (graphene, C₃N₄, h-BN, COF). Metals stay single-bonded.
- Doubles/triples draw as offset multi-cylinders; aromatic rings draw as a single inscribed ring per hexagon (PBC-aware — cross-cell hexagons are detected, deduped and wrapped into the cell, so periodic sheets tile cleanly).
CatBot atom-selection DSL — agents can select atoms by text query: elem:O AND frac:c>0.9, label:O1, bonded:@i, sphere:@i;r, with AND/OR/NOT and parentheses (via the catgo_view select action).
DOS / COHP / BANDS plots — customizable per-series line colours, Nature-style colour presets, and publication DPI × width PNG export.
CatGo CLI from the bundle — the catgo command is exposed by the packaged app (no pip install). Plus CatBot client-direct providers can now build & edit workflows.
📦 Downloads
- Desktop — Windows (
.msi/.exe), Linux (.deb/.rpm), macOS (.dmg) attached below. - Android — signed
.apkattached below (CatGo-v1.3.2-android-universal.apk). - iOS — signed device
.ipaattached below (CatGo-v1.3.2-ios-arm64.ipa, arm64); install via your MDM / Apple Configurator / a TestFlight upload. - VS Code extension —
catgo-1.3.2.vsix(also on the Marketplace) + thecatgo-serversidecar binaries. - HPC bundle —
catgo-hpc-bundle.tar.gzfor headless cluster use.
Editions
- Desktop client — full workbench: multi-pane viewer, workflow engine, HPC/DFT submission, CatBot.
- VS Code extension — the 3D viewer for ~30 structure/trajectory formats, right-click → Render.
🤖 Release prepared with Claude Code
v1.3.1
CatGo v1.3.1
AI-driven workbench for computational materials science — one window for the whole loop: read almost any code's files → build & edit → run DFT / ML / MD → submit to HPC → analyse → publish, with an AI copilot (CatBot) and a visual workflow engine throughout.
Corrected replacement for v1.3.0 (retracted before GA). v1.3.1 fixes HPC/SSH connections in packaged builds — the bundle was missing asyncssh's crypto backends (
pynacl/bcrypt) for Ed25519 / Curve25519 / encrypted OpenSSH keys, so cluster connections (e.g. SDSC Expanse, key + TOTP) hung at "connecting…". Now bundled and verified. Also fixescustodian(VASP job recovery) missing from packaged workflows.
⬇️ Downloads
- Windows —
.msi(recommended) or.exe - macOS —
.dmg(Apple Silicon) - Linux —
.deb/.rpm→sudo dpkg -i CatGo_*_amd64.deb - VS Code — search CatGo in the Marketplace (auto-updates)
📂 Reads ~30 formats — inputs and outputs, not just VASP/CIF
By software: VASP (POSCAR/CONTCAR/XDATCAR/OUTCAR/vasprun.xml/CHGCAR), Quantum ESPRESSO, CP2K, ABACUS (STRU), ORCA, Gaussian (gjf/log/cube), CASTEP (.cell), SIESTA (.fdf), OpenMX, LAMMPS (data/dump), ASE (.traj), phonopy.
Generic/molecular: CIF · XYZ/extXYZ · mol2 · PDB · HDF5 · pymatgen/OPTIMADE JSON.
Writes ready-to-run decks (headers/keywords preserved): VASP · QE · CP2K · ABACUS · ORCA · Gaussian · LAMMPS · GROMACS · AMBER · SPARK.
✨ Highlights
- Multi-pane workspace — tabs, split-view, pop-outs; each pane an independent structure/trajectory
- Edit & build — atoms/bonds/lattice, supercells, box-select, measurement, undo/redo; builders: slab cutter, adsorbates, moiré, nanotubes, heterostructures, MOFs, doping, passivation
- CatBot AI — Claude / Codex / Gemini / Ollama / DeepSeek… via ~28 MCP tools
- Workflow + HPC — DAG editor, Quick-Build recipes (HER/OER/ORR/NRR/CO₂RR/NEB), SLURM/PBS/LSF/SGE submit & monitor, OTP + jump-host
- Analysis — DOS/band/COHP, Brillouin zone, XRD, phase diagrams (2D/3D/4D), Gibbs & volcano
- Export — HD PNG/JPG/TIFF/SVG/PDF, GLB/OBJ, trajectory video; OPTIMADE & PubChem import
⌨️ Keyboard shortcuts (Ctrl = Ctrl/⌘)
Ctrl+O open · Ctrl+T new tab · Ctrl+W close pane · 1-4 activate pane · Ctrl+/ CatBot ·
Ctrl+C/V copy/paste atoms · Del delete · Shift+Alt+Arrows move · Shift+Arrows rotate · X/Y/Z axis-lock · Ctrl+Z / Ctrl+Shift+Z undo/redo ·
Space play/pause · A/D prev/next frame · Home/End first/last · 0-9 jump 0–90% · +/- speed.
🧩 Editions
Desktop client = the full workbench. The VS Code extension embeds the full single-window viewer (view, edit, builders, analysis, save/export) — only the desktop shell (multi-pane workspace, standalone workflow editor, HPC job manager) is client-only.
See the CHANGELOG for full details.
CatGo 1.2.1 — Native Voice STT + GPU Acceleration
CatGo 1.2.1 is a major release on top of v1.1.16. The headline is a completely rebuilt voice-dictation stack (now native, GPU-accelerated, crash-free), but it also brings a new document viewer, a unified pane workspace, richer structure / electronic-structure tooling, and Android + iOS build pipelines.
🎤 Voice dictation (new) — native, GPU-accelerated, fixed
- Local terminal voice dictation — speak into any terminal via a mic button, with a speech-model + spoken-language picker and Chinese Traditional→Simplified conversion. (#377)
- Native backend STT — Whisper now runs in the FastAPI backend (faster-whisper / CTranslate2) instead of the webview. This fixes the Tauri white-screen / OOM crash: the old in-webview WASM engine leaked ~0.8 GB of unreclaimable memory per utterance on WebKit webviews (Linux WebKitGTK, macOS WKWebView) until the renderer was killed. CPU int8 everywhere (incl. Apple Silicon), automatic CUDA on NVIDIA with CPU fallback, hf-mirror.com download fallback. (#379)
- In-app GPU accelerator (opt-in) — a "GPU Acceleration" control downloads a prebuilt whisper.cpp binary + model on demand: Vulkan for AMD/Intel iGPUs, Metal for Apple Silicon (~2–4.6× faster encode than CPU). Nothing extra bundled by default; runtime GPU↔CPU switch; sha256-verified, slip-guarded downloads. (#381)
- Fixes: duplicated input when two panes both had voice on; phantom dictation with the mic button off. (#379, #381)
📄 Document viewer (new)
- Multi-tab, movable document-viewer window for non-structure files — text, Markdown, HTML, CSV, PDF, images, Excel, and Word (.docx). Each opened file becomes a tab; the window can be dragged onto a second screen. (#376)
🪟 Panes & workspace
- Unified pane tree replacing the old quad grid, plus SDK-agent terminal / Campaign integration, chat, and Mol* / model fixes. (#357)
- "Open to" targets — choose tab / split / window × new / overwrite when opening files; Shift flips the mode; quad-layout, close-pane, and trajectory/camera fixes. (#375)
- CatBot → existing viewer — when the assistant loads a structure it can ask: overwrite, new pane, or new window. (#372)
- Trackball pan speed normalized to camera distance (molecules no longer pan sluggishly). (#363)
🔷 Structure & electronic structure
- Coordination polyhedra — ported matterviz 0.4.1 polyhedra features (#355), then rewrote them on a bond-graph with distance-rule bonding and live per-element polyhedra controls. (#364)
- Slab builder orthogonalizes c by default so the surface plane is ab. (#371)
- Electronic-structure plot polish — axis titles, bundled Arial-equivalent font, theme-aware colors, adjustable title/font sizes, consistent spin-up/down line styles, band gap shown in Materials Project search, and assorted button-contrast fixes. (#378)
- PROCAR — parse adjacent signed floats VASP prints without a separator (e.g.
0.00000000-0.00000000), fixing PDOS/projection reads. (#380)
📱 Mobile & cross-platform builds
- Android — new CI workflow producing a signed APK attached to the GitHub release (#351), plus workflow fixes (#353) and a Mol* toolbar entry replacing the floating button (#352).
- iOS — terminal input correctness + SSH session stability on device. (#356)
- This release ships Desktop (Windows / macOS / Linux), Android, and iOS.
☁️ HPC, agent & infra
- HPC jump-host plain-password auth + a DNS-failure hint. (#354)
- MCP endpoint trailing-slash fix. (#373)
The optional Vulkan/Metal STT binaries are published separately as stt-accel-v1 and fetched in-app on demand.
🤖 Release prepared with Claude Code
stt-accel-v1
CatGo STT GPU accelerator binaries
v1.1.16
CatGo v1.1.16
Highlights
- Claude Code integration now works from the installer (Windows fix). The bundled server self-registers the catgo MCP + campaign skills with Claude Code on startup (writes
~/.claude.json, copies skills) — installer users no longer need thecatgoCLI or admin rights. (#348) - Biological-system visualization. Open a protein / nucleic-acid (PDB / bio-mmCIF) and it renders in an embedded Mol* viewer (cartoon/surface/sequence); a DNA toolbar button opens any structure in Mol*. (#339, #343)
- Band-structure UI fixes. Electronic plots (DOS/COHP/Bands) now stack beside the structure instead of squishing at the bottom; Load buttons styled; proactive + friendly KPOINTS guidance on upload. (#342, #344)
Structure parsers
- New TS parsers: QE input, CASTEP
.cell, SIESTA.fdf, VASPOUTCAR(+ trajectory), OpenMX, ORCA, Gaussian (Z-matrix /%coords), ABACUSSTRU, full QEibravtable incl. niche cases. (#333–#336)
Mobile / iOS
- Native voice input, Ollama / local-LLM support, and backend-less hardening. (#337, #320)
- Multi-cluster sessions with per-cluster terminal tabs; on-device terminal fixes (sticky Ctrl, key-bar focus, selection copy); ~30s background grace so SSH/OTP survive app switches; monotonic CFBundleVersion for TestFlight. (#315–#319)
HPC
- Desktop download manager; private-key-file selection; in-memory key-import hardening. (#326, #327, #329)
VS Code extension
- Inline catrender WASM so it loads under the webview CSP;
server.url/server.sidecarPathescape hatches for offline / Remote-SSH; Open VSX namespace claim. (#347, #332, #330, #331)
Analysis / workflow
- Surface plot/CSV export failures instead of failing silently; PBS resource parameters in workflow runs; collision-proof workflow node ids (flaky-test fix); ORCA form cleanup. (#338, #340, #345, #321)
Viewer / misc
- Cap rendered bond length + fix collapsed periodic-table modal; route external links through
shell.open. (#323, #314) - Campaign md-orchestration mode + input-file submit gate; Chinese-docs alignment. (#324, #341, #328)
- Build: pin
@tauri-apps/apito 2.9.x to match the Rust crate. (#350)
Downloads
- Windows:
CatGo_1.1.16_x64_en-US.msiorCatGo_1.1.16_x64-setup.exe - macOS (Apple Silicon):
CatGo_1.1.16_aarch64.dmg - Linux:
CatGo_1.1.16_amd64.deborCatGo-1.1.16-1.x86_64.rpm - VS Code:
catgo-1.1.16.vsix
Note: iOS / Android builds are not part of this release — see the project notes (mobile distribution needs Apple/Android signing credentials).
v1.1.15
CatGo v1.1.15 — desktop builds for Windows, macOS (Apple Silicon), and Linux (.deb / .rpm), bundling the backend server (MLP libraries excluded). First release with the iOS-ready mobile app code and tool-calling mobile AI chat.
Highlights
Mobile — iOS app + agentic AI chat
- iOS app (v1): purpose-built mobile UI, terminal tabs, and AI chat running against the same editor core as desktop (#292)
- Tool calling in mobile AI chat: full CLIENT_TOOLS agentic loop with a native permission card — the assistant can now search Materials Project, edit structures, and drive the viewer from a phone (#304)
- Materials Project API works on mobile: native fetch runs before the relay auth-header guard (#301), and key-bearing requests take the direct-API branch (#306)
- SSH connection password handling + terminal keyboard UX fixes (#295)
3D viewer — rotation & zoom finally behave
- Rotation orbits the structure's own center even after panning (closes #214, a bug that survived three previous attempts): lattice-box center for crystals, mass-weighted center of mass for molecules; the pan offset is preserved while rotating (#303)
- Orthographic zoom no longer fights you: the view fits the whole structure (no more cropped cells with giant atoms in side-by-side panes), and switching layouts no longer clobbers your zoom level (#309)
- Materials Project search results sort by stability again (#307); nanoscroll builds fit the view (#296); desktop overlays stay within the viewport (#298); the viewer adopts CatBot tool edits live (#308)
Workflow & analysis
- Workflow submission, persistence, i18n, and modal-pane stability batch (#299)
- DOS/COHP extensions bundled; band structures work without a KPOINTS file (#297)
- DOS: Compute PDOS auto-creates a group from the current selection, robust d-band rendering when values are null (#302)
- HPC file browser: command-based listing runs before SFTP (avoids SFTP-subsystem hangs on busy login nodes) with a bounded SFTP fallback when the exec channel times out (#302)
Chat & web
- Materials Project API key works in the web build via the CORS relay allowlist (#305)
- Keyless Ollama local models supported in chat (#294)
VS Code extension
- Refuses the doomed 463 MB sidecar download on unsupported platforms — Intel Macs get a clear message instead of a binary that can't run (#312)
CI
- The e2e lane is real again: it now drives the actual app (launcher, editor canvas, layout round-trip) instead of a dead upstream demo-site suite, and failures show a real ❌ instead of being painted green (#310, #311)
Assets
- Windows:
.msi/.exeinstaller - macOS (Apple Silicon):
.dmg - Linux:
.deb+.rpm - Android:
.apk(arm64) - VS Code extension (
.vsix) + backend server sidecars (darwin-arm64 / linux-x64 / win-x64) - HPC bundle
Full changelog: v1.1.14...v1.1.15