caddforge-gui 0.6.0__tar.gz

caddforge_gui-0.6.0/.github/workflows/release.yml

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+name: CI and PyPI release
+'on':
+  push:
+    branches:
+      - '**'
+    tags:
+      - v*
+  pull_request: null
+  workflow_dispatch: null
+permissions:
+  contents: read
+jobs:
+  build:
+    name: Build and validate distributions
+    runs-on: ubuntu-24.04
+    steps:
+      - uses: actions/checkout@v7.0.1
+        with:
+          fetch-depth: 0
+          persist-credentials: false
+      - uses: actions/setup-python@v7.0.0
+        with:
+          python-version: '3.12'
+      - name: Install build tools
+        run: python -m pip --isolated install --index-url https://pypi.org/simple --upgrade build twine packaging
+      - name: Build wheel from source distribution
+        run: python -m build
+      - name: Validate package metadata
+        run: python -m twine check --strict dist/*
+      - name: Check distribution identity and release version
+        env:
+          IS_RELEASE: ${{ github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v') }}
+          RELEASE_TAG: ${{ github.ref_name }}
+        run: python scripts/check_release.py .
+      - uses: actions/upload-artifact@v7.0.2
+        with:
+          name: distributions
+          path: dist/*
+          if-no-files-found: error
+  test:
+    name: Test wheel (Python ${{ matrix.python }})
+    needs: build
+    runs-on: ubuntu-24.04
+    strategy:
+      fail-fast: false
+      matrix:
+        python:
+          - '3.10'
+          - '3.12'
+    steps:
+      - uses: actions/checkout@v7.0.1
+        with:
+          persist-credentials: false
+      - uses: actions/setup-python@v7.0.0
+        with:
+          python-version: ${{ matrix.python }}
+      - uses: actions/download-artifact@v8.0.1
+        with:
+          name: distributions
+          path: dist
+      - name: Install built wheel and test dependencies
+        shell: bash
+        run: |-
+          python -m pip --isolated install --index-url https://pypi.org/simple dist/*.whl
+          python -m pip --isolated install --index-url https://pypi.org/simple pytest packaging 'tomli; python_version < "3.11"' 'httpx'
+      - name: Test installed wheel outside the checkout
+        env:
+          MPLBACKEND: Agg
+          OMP_NUM_THREADS: '1'
+          OPENBLAS_NUM_THREADS: '1'
+        run: python scripts/run_ci_tests.py
+      - name: Check installed dependencies
+        run: python -m pip check
+  publish:
+    name: Publish to PyPI
+    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
+    needs:
+      - build
+      - test
+    runs-on: ubuntu-24.04
+    environment:
+      name: pypi
+      url: https://pypi.org/project/caddforge-gui/
+    permissions:
+      id-token: write
+    concurrency:
+      group: pypi-${{ github.ref }}
+      cancel-in-progress: false
+    steps:
+      - uses: actions/download-artifact@v8.0.1
+        with:
+          name: distributions
+          path: dist
+      - uses: pypa/gh-action-pypi-publish@v1.14.2

caddforge_gui-0.6.0/.gitignore

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+# Python
+__pycache__/
+*.py[cod]
+*.pyd
+.pytest_cache/
+.mypy_cache/
+.ruff_cache/
+.coverage
+coverage.xml
+*.egg-info/
+.eggs/
+build/
+dist/
+.venv/
+venv/
+.env
+
+# Logs
+*.log
+
+# Frontend
+frontend/node_modules/
+frontend/.vite/
+frontend/dist/
+frontend/npm-debug.log*
+frontend/yarn-error.log*
+frontend/pnpm-debug.log*

caddforge_gui-0.6.0/LICENSE

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+The MIT License (MIT)
+
+Copyright (c) 2026 The CADDForge Authors
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in
+all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+THE SOFTWARE.

caddforge_gui-0.6.0/PKG-INFO

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+Metadata-Version: 2.5
+Name: caddforge-gui
+Version: 0.6.0
+Summary: FastAPI-based GUI server and web UI for CADDForge.
+Author-email: Manuel Sellner <manuel.sellner@idorsia.com>, Christoph Sager <christoph.sager@idorsia.com>
+License: MIT
+License-File: LICENSE
+Requires-Python: >=3.10
+Requires-Dist: caddforge-core>=0.21.0
+Requires-Dist: fastapi>=0.110
+Requires-Dist: pydantic>=2.5
+Requires-Dist: python-multipart>=0.0.26
+Requires-Dist: pyyaml>=6.0
+Requires-Dist: uvicorn>=0.29
+Description-Content-Type: text/markdown
+
+# CADDForge GUI
+
+Install this plugin with `python -m pip install caddforge-gui`. It depends directly
+on `caddforge-core>=0.21.0`; Python imports and CLI commands still use `caddforge`.
+For the complete public toolbox, including user-facing extras, install
+`python -m pip install caddforge`. When migrating an existing environment, uninstall
+the former `caddforge` core distribution before installing renamed core and updated plugins.
+
+FastAPI server that hosts the CADDForge GUI and REST/SSE API.
+
+## Documentation
+
+- Plugin GUI authoring guide:
+  - `docs/plugin-gui-authoring.md`
+- Shared plugin UI kit module:
+  - `src/caddforge_gui/static/assets/plugin_uikit.js`
+- Shared plugin backend helpers:
+  - `src/caddforge_gui/plugin_runtime.py`
+
+## Development (frontend)
+
+```bash
+cd caddforge-gui/frontend
+npm install
+npm run build
+```
+
+This builds static assets into `caddforge-gui/src/caddforge_gui/static`.
+
+## Run
+
+```bash
+caddforge gui --host 0.0.0.0 --port 8000
+```
+
+## Theme
+
+- Default theme: light
+- Toggle: top-bar `Dark Mode` / `Light Mode` button
+- Persistence: saved in browser `localStorage` (`caddforge-theme`)
+
+## Plugin UI Kit
+
+`caddforge-gui` provides a small reusable UI kit for plugin pages:
+
+- Module: `caddforge_gui/static/assets/plugin_uikit.js`
+- Runtime URL for extensions: `/static/assets/plugin_uikit.js`
+
+Extension modules can import shared primitives (fields, sections, collapsibles, file pickers, etc.) via:
+
+```js
+import { field, row, section, createFilePicker } from "../../assets/plugin_uikit.js";
+```
+
+Available higher-level helpers include:
+
+- `stepSection(stepNumber, title, note)`
+- `modeSwitchSection(...)`
+- `backendSection()`
+- `submitBar(label)`
+- `createPathOrFileInput(...)`
+
+For docking/pose analysis pages, there is also a reusable Mol* viewer panel:
+
+- Module: `caddforge_gui/static/assets/molstar_viewer.js`
+- Export: `createDockingMolstarViewer({ title, description })`
+- Runtime URL for extensions: `/static/assets/molstar_viewer.js`
+
+This keeps plugin GUIs visually consistent and avoids re-implementing common form/layout logic.
+
+## Plugin Backend Helpers
+
+For extension backend routers (`gui_extension.py`), `caddforge-gui` also provides reusable helpers in
+`caddforge_gui.plugin_runtime`:
+
+- `encode_path_token` / `decode_path_token`
+- `list_tool_jobs`
+- `make_staging_dir`
+- `store_upload` (streamed upload writes)
+- `move_to_directory`
+- `ensure_job_within_run_dir`
+
+For non-GUI/general runtime concerns (backend construction, backend submission, registry normalization),
+use `caddforge.core.execution` from `caddforge-core`.
+
+## Third-party notices
+
+The bundled React frontend retains its upstream MIT licence. Copyright and full
+licence text ship in [static/THIRD_PARTY_LICENSES](src/caddforge_gui/static/THIRD_PARTY_LICENSES/NOTICE.txt)
+in source distributions and wheels. Preserve these files when redistributing the
+frontend, and review them whenever frontend dependencies change.
+
+## Continuous integration and releases
+
+`.github/workflows/release.yml` builds a wheel and source archive, validates
+metadata, and tests the installed wheel on Linux with Python 3.10 and 3.12.
+The lightweight test selection is recorded in `scripts/ci_tests.json`;
+external scientific engines are validated separately.
+
+Pushing a matching `v*` release tag publishes the tested artifacts to PyPI.
+Branch pushes, pull requests and manual runs never publish. Configure a
+PyPI Trusted Publisher for the `idorsia` repository, `release.yml` workflow
+and `pypi` environment before pushing release tags. Runtime CADDForge
+dependencies must already be available publicly; publish core first,
+and publish docking/descriptors before MD.

caddforge_gui-0.6.0/README.md

@@ -0,0 +1,105 @@
+# CADDForge GUI
+
+Install this plugin with `python -m pip install caddforge-gui`. It depends directly
+on `caddforge-core>=0.21.0`; Python imports and CLI commands still use `caddforge`.
+For the complete public toolbox, including user-facing extras, install
+`python -m pip install caddforge`. When migrating an existing environment, uninstall
+the former `caddforge` core distribution before installing renamed core and updated plugins.
+
+FastAPI server that hosts the CADDForge GUI and REST/SSE API.
+
+## Documentation
+
+- Plugin GUI authoring guide:
+  - `docs/plugin-gui-authoring.md`
+- Shared plugin UI kit module:
+  - `src/caddforge_gui/static/assets/plugin_uikit.js`
+- Shared plugin backend helpers:
+  - `src/caddforge_gui/plugin_runtime.py`
+
+## Development (frontend)
+
+```bash
+cd caddforge-gui/frontend
+npm install
+npm run build
+```
+
+This builds static assets into `caddforge-gui/src/caddforge_gui/static`.
+
+## Run
+
+```bash
+caddforge gui --host 0.0.0.0 --port 8000
+```
+
+## Theme
+
+- Default theme: light
+- Toggle: top-bar `Dark Mode` / `Light Mode` button
+- Persistence: saved in browser `localStorage` (`caddforge-theme`)
+
+## Plugin UI Kit
+
+`caddforge-gui` provides a small reusable UI kit for plugin pages:
+
+- Module: `caddforge_gui/static/assets/plugin_uikit.js`
+- Runtime URL for extensions: `/static/assets/plugin_uikit.js`
+
+Extension modules can import shared primitives (fields, sections, collapsibles, file pickers, etc.) via:
+
+```js
+import { field, row, section, createFilePicker } from "../../assets/plugin_uikit.js";
+```
+
+Available higher-level helpers include:
+
+- `stepSection(stepNumber, title, note)`
+- `modeSwitchSection(...)`
+- `backendSection()`
+- `submitBar(label)`
+- `createPathOrFileInput(...)`
+
+For docking/pose analysis pages, there is also a reusable Mol* viewer panel:
+
+- Module: `caddforge_gui/static/assets/molstar_viewer.js`
+- Export: `createDockingMolstarViewer({ title, description })`
+- Runtime URL for extensions: `/static/assets/molstar_viewer.js`
+
+This keeps plugin GUIs visually consistent and avoids re-implementing common form/layout logic.
+
+## Plugin Backend Helpers
+
+For extension backend routers (`gui_extension.py`), `caddforge-gui` also provides reusable helpers in
+`caddforge_gui.plugin_runtime`:
+
+- `encode_path_token` / `decode_path_token`
+- `list_tool_jobs`
+- `make_staging_dir`
+- `store_upload` (streamed upload writes)
+- `move_to_directory`
+- `ensure_job_within_run_dir`
+
+For non-GUI/general runtime concerns (backend construction, backend submission, registry normalization),
+use `caddforge.core.execution` from `caddforge-core`.
+
+## Third-party notices
+
+The bundled React frontend retains its upstream MIT licence. Copyright and full
+licence text ship in [static/THIRD_PARTY_LICENSES](src/caddforge_gui/static/THIRD_PARTY_LICENSES/NOTICE.txt)
+in source distributions and wheels. Preserve these files when redistributing the
+frontend, and review them whenever frontend dependencies change.
+
+## Continuous integration and releases
+
+`.github/workflows/release.yml` builds a wheel and source archive, validates
+metadata, and tests the installed wheel on Linux with Python 3.10 and 3.12.
+The lightweight test selection is recorded in `scripts/ci_tests.json`;
+external scientific engines are validated separately.
+
+Pushing a matching `v*` release tag publishes the tested artifacts to PyPI.
+Branch pushes, pull requests and manual runs never publish. Configure a
+PyPI Trusted Publisher for the `idorsia` repository, `release.yml` workflow
+and `pypi` environment before pushing release tags. Runtime CADDForge
+dependencies must already be available publicly; publish core first,
+and publish docking/descriptors before MD.