diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml new file mode 100644 index 0000000..661e44d --- /dev/null +++ b/.github/workflows/docs.yml @@ -0,0 +1,48 @@ +name: Docs + +on: + push: + branches: [main] + pull_request: + branches: [main] + workflow_dispatch: + +permissions: + contents: read + +jobs: + build-docs: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v7 + with: + fetch-depth: 0 + - uses: actions/setup-python@v7 + with: + python-version: "3.12" + - name: Install the package and docs dependencies + run: python -m pip install -e ".[docs]" + - name: Build the documentation + run: python -m sphinx -W --keep-going -b html docs docs/_build/html + - name: Upload Pages artifact + uses: actions/upload-pages-artifact@v5 + with: + path: docs/_build/html + + deploy-docs: + needs: build-docs + if: github.event_name == 'push' && github.ref == 'refs/heads/main' + runs-on: ubuntu-latest + concurrency: + group: pages + cancel-in-progress: false + permissions: + pages: write + id-token: write + environment: + name: github-pages + url: ${{ steps.deployment.outputs.page_url }} + steps: + - name: Deploy to GitHub Pages + id: deployment + uses: actions/deploy-pages@v5 diff --git a/.gitignore b/.gitignore index 2a1f6db..854f653 100644 --- a/.gitignore +++ b/.gitignore @@ -10,6 +10,7 @@ htmlcov/ build/ dist/ output/ +docs/_build/ .playwright-cli/ frontend/node_modules/ frontend/.vite/ diff --git a/README.md b/README.md index 728a139..21d67b4 100644 --- a/README.md +++ b/README.md @@ -1,28 +1,16 @@ PQSetup logo -

PQSetup

+[![CI](https://github.com/MolarVerse/PQSetup/actions/workflows/ci.yml/badge.svg)](https://github.com/MolarVerse/PQSetup/actions/workflows/ci.yml) +[![Docs](https://github.com/MolarVerse/PQSetup/actions/workflows/docs.yml/badge.svg)](https://molarverse.github.io/PQSetup/) +[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](LICENSE) -

- Prepare and validate PQ simulation inputs before a run. -

+# PQSetup -

- CI - Python 3.11+ - MIT License -

+Prepare and validate PQ simulation inputs in a local browser interface. -PQSetup is a local graphical setup tool for -[PQ](https://github.com/MolarVerse/PQ). It checks structures, guides ensemble -and method selection, builds equilibration and sampling plans, and exports -readable inputs with a fail-fast run script. +## Install -![PQSetup structure and preflight workflow](docs/assets/pqsetup-workspace.png) - -## Quick start - -PQSetup requires Python 3.11 or newer. A PQ installation is recommended but -not required to prepare an input. +PQSetup is currently installed from source and requires Python 3.11 or newer. ```bash git clone https://github.com/MolarVerse/PQSetup.git @@ -30,69 +18,91 @@ cd PQSetup python3 -m venv .venv source .venv/bin/activate python -m pip install . -pqsetup ``` -The interface is bundled with the Python package, so Node.js is not needed to -install or run PQSetup. It opens on `127.0.0.1` and does not submit or run a -simulation. +The interface is included in the Python package. Node.js is not required. -Check the local PQ installation and available external calculators: +## Quick Start + +Open the graphical interface: + +```bash +pqsetup +``` + +Inspect the selected PQ executable and available calculators: ```bash pqsetup doctor ``` -For an executable with a different name or location: +Use a PQ executable with a different name or location: ```bash -pqsetup --pq-executable /path/to/PQ +pqsetup --pq-executable /path/to/PQ doctor ``` -The same path can be set with `PQ_EXECUTABLE`. +Validate an existing input: -## PQ compatibility +```bash +pqsetup validate run.in +``` -PQSetup currently targets the stable PQ v0.6.4 input schema. It detects the -selected executable's version and uses PQ's machine-readable CLI when -available: +See the [documentation](https://molarverse.github.io/PQSetup/) for server +options, validation scopes, and complete setup examples. -| PQ command | Used for | +## Input + +| Structure | Extension | Handling | +| --- | --- | --- | +| PQ restart | `.rst` | Preserves atom names, molecule types, and available velocities or forces | +| CIF | `.cif` | Read through ASE | +| XYZ | `.xyz`, `.extxyz` | Reads standard and extended XYZ data | +| Protein Data Bank | `.pdb` | Read through ASE | +| MOL / SDF | `.mol`, `.sdf` | Read through ASE | +| ASE trajectory | `.traj` | Read through ASE | + +Multi-frame ASE sources import the final frame. Structures without a cell +receive a centered vacuum cell. Periodic coordinates follow PQ's +origin-centered cell convention. + +## Workflow + +| Step | Result | | --- | --- | -| `PQ --capabilities=json` | Version, compiled features, external calculators, defaults, and supported ranges | -| `PQ --validate run.in --format=json --scope=installed` | Authoritative parser and setup validation | +| System | Inspect coordinates, elements, periodic cells, and close contacts | +| Method | Configure molecular mechanics or one supported QM calculator | +| Conditions | Build NVE, NVT, or NPT sampling with optional NVT equilibration | +| Prepare | Wrap periodic atoms and optionally perturb perfect crystal symmetry | +| Review | Inspect every generated input before creating the package | -This CLI contract is implemented for the planned PQ v0.7 release in -[PQ pull request #322](https://github.com/MolarVerse/PQ/pull/322). With older -PQ versions, PQSetup keeps local checks active and states when PQ validation -was not run. +PQSetup does not submit jobs or run the simulation. -## What it prepares +## Validation -- XYZ and PQ restart structures, including collision and periodic-cell checks. -- Vacuum, NVT, and NPT conditions with the controls supported by PQ v0.6.4. -- QM and molecular-mechanics inputs with calculator availability diagnostics. -- Optional NVT equilibration followed by one or more numbered sampling runs. -- Seeded velocity initialization and optional Gaussian position perturbation. -- `run-eq.in`, `run-01.in` through `run-999.in`, and a `run.sh` launcher. +PQSetup checks the structure, plan, required files, and generated inputs +locally. When the selected PQ executable advertises machine-readable +validation, PQSetup also checks the inputs with PQ. -Exported launchers write logs to `run-logs/` and stop at the first failed or -incomplete PQ run. +Environment detection reports what is available. It does not establish that a +method, force field, or protocol is scientifically suitable. -## Command line +PQSetup targets the stable PQ v0.6.4 input schema. -```bash -pqsetup # open the local interface -pqsetup doctor # inspect PQ and calculators -pqsetup validate run.in # check an existing input -pqsetup serve --no-browser # run without opening a browser -``` +## Run Packages -Use `--json` with `doctor` or `validate` for machine-readable output. +| File | Purpose | +| --- | --- | +| `run-eq.in` | Optional NVT equilibration | +| `run-01.in` … `run-999.in` | Sampling inputs and restart chain | +| Structure restart | Prepared coordinates under the selected start filename | +| `run.sh` | Fail-fast execution in the recorded order | +| `pqproject.json` | Plan, environment, provenance, warnings, and file hashes | -## Development +Uploaded force-field files and calculator templates are included in the +package. -Node.js 20 or newer is required only when changing the interface. +## Development ```bash python -m pip install -e ".[dev]" @@ -101,5 +111,3 @@ python -m pytest npm --prefix frontend test npm --prefix frontend run build ``` - -PQSetup is available under the [MIT License](LICENSE). diff --git a/docs/_static/custom.css b/docs/_static/custom.css new file mode 100644 index 0000000..9845d1c --- /dev/null +++ b/docs/_static/custom.css @@ -0,0 +1,41 @@ +/* PQSetup-specific additions to Furo. */ + +.sidebar-logo { + width: 4rem; +} + +.sidebar-brand-text { + font-weight: 700; + letter-spacing: -0.02em; +} + +.sd-card { + box-shadow: none; + transition: transform 0.15s ease, box-shadow 0.15s ease; +} + +.sd-card:hover { + transform: translateY(-2px); + box-shadow: 0 6px 18px rgba(0, 0, 0, 0.08); +} + +.content p code.literal, +.content li code.literal { + background: var(--color-code-background); + border-radius: 0.2em; +} + +.pq-workspace { + margin: 1.5rem 0 0; +} + +.pq-workspace img, +.pq-shot img { + width: 100%; + border: 1px solid var(--color-foreground-border); + border-radius: 0.35rem; +} + +.pq-shot { + margin: 1.5rem 0 2rem; +} diff --git a/docs/assets/pq-logo.png b/docs/assets/pq-logo.png new file mode 100644 index 0000000..2c5d31c Binary files /dev/null and b/docs/assets/pq-logo.png differ diff --git a/docs/assets/pqsetup-workspace.png b/docs/assets/pqsetup-workspace.png deleted file mode 100644 index bffabb7..0000000 Binary files a/docs/assets/pqsetup-workspace.png and /dev/null differ diff --git a/docs/assets/screenshots/input-review.png b/docs/assets/screenshots/input-review.png new file mode 100644 index 0000000..645cd9c Binary files /dev/null and b/docs/assets/screenshots/input-review.png differ diff --git a/docs/assets/screenshots/run-plan.png b/docs/assets/screenshots/run-plan.png new file mode 100644 index 0000000..1535634 Binary files /dev/null and b/docs/assets/screenshots/run-plan.png differ diff --git a/docs/assets/screenshots/workspace.png b/docs/assets/screenshots/workspace.png new file mode 100644 index 0000000..9a5e16a Binary files /dev/null and b/docs/assets/screenshots/workspace.png differ diff --git a/docs/conf.py b/docs/conf.py new file mode 100644 index 0000000..99dad8a --- /dev/null +++ b/docs/conf.py @@ -0,0 +1,84 @@ +"""Sphinx configuration for the PQSetup documentation.""" + +import os +import sys + +sys.path.insert(0, os.path.abspath("..")) + +project = "PQSetup" +author = "MolarVerse" +copyright = "2026, the PQSetup authors" + +try: + from pqsetup import __version__ as release +except Exception: # pragma: no cover - package may be absent in a bare checkout + release = "" +version = release + +extensions = [ + "sphinx.ext.autodoc", + "sphinx.ext.napoleon", + "sphinx.ext.viewcode", + "sphinx.ext.intersphinx", + "sphinx_copybutton", + "sphinx_design", +] + +autodoc_typehints = "description" +napoleon_numpy_docstring = True +napoleon_google_docstring = False + +intersphinx_mapping = { + "python": ("https://docs.python.org/3", None), + "numpy": ("https://numpy.org/doc/stable/", None), +} + +copybutton_prompt_text = r">>> |\.\.\. |\$ " +copybutton_prompt_is_regexp = True + +templates_path = ["_templates"] +exclude_patterns = ["_build", "Thumbs.db", ".DS_Store"] + +html_theme = "furo" +html_title = "PQSetup" +html_logo = "assets/pq-logo.png" +html_favicon = "assets/pq-logo.png" +html_static_path = ["_static"] +html_css_files = ["custom.css"] + +html_theme_options = { + "sidebar_hide_name": False, + "light_css_variables": { + "color-brand-primary": "#1f718f", + "color-brand-content": "#176c8c", + }, + "dark_css_variables": { + "color-brand-primary": "#65bddb", + "color-brand-content": "#65bddb", + }, + "source_repository": "https://github.com/MolarVerse/PQSetup/", + "source_branch": "main", + "source_directory": "docs/", + "footer_icons": [ + { + "name": "GitHub", + "url": "https://github.com/MolarVerse/PQSetup", + "html": ( + '' + ), + "class": "", + }, + ], +} + +html_baseurl = "https://molarverse.github.io/PQSetup/" diff --git a/docs/getting-started.rst b/docs/getting-started.rst new file mode 100644 index 0000000..6798be6 --- /dev/null +++ b/docs/getting-started.rst @@ -0,0 +1,97 @@ +Getting started +=============== + +PQSetup is currently a pre-release project installed from source. The +graphical interface and its static assets are included in the Python package. + +Requirements +------------ + +* Python 3.11 or newer +* A PQ executable to validate and run the generated inputs +* The calculator and supporting files required by the chosen method + +You can design and export portable inputs without a detected calculator or PQ +executable. PQSetup reports the missing checks instead of silently passing +them. + +Install +------- + +.. code-block:: bash + + git clone https://github.com/MolarVerse/PQSetup.git + cd PQSetup + python3 -m venv .venv + source .venv/bin/activate + python -m pip install . + +Node.js is only needed when changing the interface. + +Check the environment +--------------------- + +.. code-block:: bash + + pqsetup doctor + +``doctor`` reports the selected PQ executable and the external calculators +that PQSetup can detect. To use a different executable: + +.. code-block:: bash + + pqsetup --pq-executable /opt/pq/bin/PQ doctor + +The same path can be supplied through ``PQ_EXECUTABLE``. + +Open the interface +------------------ + +.. code-block:: bash + + pqsetup + +PQSetup opens a local page at ``127.0.0.1:8888``. To choose another port or +avoid opening a browser: + +.. code-block:: bash + + pqsetup serve --port 8890 --no-browser + +Create the first package +------------------------ + +#. Import a structure, or keep the water example. +#. Choose molecular mechanics or one QM calculator. +#. Set the sampling ensemble and duration. Add NVT equilibration if needed. +#. Review optional coordinate preparation. +#. Inspect every generated input, then create the package. + +Presets are editable starting points, not validated production protocols. +Check the timestep, duration, coupling constants, method, and system size for +the actual scientific question. + +Run the package +--------------- + +Unpack the download on the machine where PQ and the calculator are available: + +.. code-block:: bash + + mkdir water-nvt + unzip water-nvt.zip -d water-nvt + cd water-nvt + ./run.sh /opt/pq/bin/PQ + +The launcher follows the recorded input order, writes output to ``run-logs/``, +and stops after the first failed or incomplete PQ run. + +PQSetup does not submit a scheduler job. Transfer and submission remain under +the user's control. + +Next +---- + +* :doc:`Build a run ` +* :doc:`Understand validation ` +* :doc:`Inspect the package format ` diff --git a/docs/index.rst b/docs/index.rst new file mode 100644 index 0000000..22af1a8 --- /dev/null +++ b/docs/index.rst @@ -0,0 +1,93 @@ +.. _overview: + +PQSetup +======== + +PQSetup prepares and validates simulation inputs for PQ in a local browser +interface. It turns a structure and simulation plan into a portable run package +whose inputs can be inspected before execution. + +:doc:`Get started ` · :doc:`Build a run ` · +:doc:`Validation ` · :doc:`Command line ` + +.. note:: + + PQSetup is a pre-release project. File and Python interfaces may change + before 1.0. + +Quick start +----------- + +PQSetup requires Python 3.11 or newer. + +.. code-block:: bash + + git clone https://github.com/MolarVerse/PQSetup.git + cd PQSetup + python3 -m venv .venv + source .venv/bin/activate + python -m pip install . + pqsetup + +The interface is included in the Python package. Node.js is not required. + +.. figure:: assets/screenshots/workspace.png + :alt: PQSetup structure import and preflight workspace + :class: pq-workspace + :align: center + + Structure import, centered-cell handling, and preflight in one workspace. + +Documentation +------------- + +.. grid:: 1 1 3 3 + :gutter: 2 + + .. grid-item-card:: Getting started + :link: getting-started + :link-type: doc + + Installation, environment checks, and the first run package. + + .. grid-item-card:: Build a run + :link: workflow + :link-type: doc + + System, method, conditions, preparation, review, and shortcuts. + + .. grid-item-card:: Validation + :link: validation + :link-type: doc + + Local preflight, environment discovery, and PQ parser checks. + + .. grid-item-card:: Run packages + :link: run-packages + :link-type: doc + + Restart order, launch scripts, provenance, and transfer. + + .. grid-item-card:: Command line + :link: reference/cli + :link-type: doc + + Start the interface, inspect the environment, and validate inputs. + + .. grid-item-card:: Compatibility + :link: reference/compatibility + :link-type: doc + + PQ schema support, structure formats, cells, and platform notes. + +.. toctree:: + :hidden: + :maxdepth: 2 + :caption: Contents + + getting-started + workflow + validation + run-packages + reference/cli + reference/compatibility diff --git a/docs/reference/cli.rst b/docs/reference/cli.rst new file mode 100644 index 0000000..9bd6bf1 --- /dev/null +++ b/docs/reference/cli.rst @@ -0,0 +1,78 @@ +Command line +============ + +Open the interface +------------------ + +Running ``pqsetup`` without a subcommand starts the local interface. + +.. code-block:: bash + + pqsetup + pqsetup serve --host 127.0.0.1 --port 8888 + pqsetup serve --no-browser + +The server only accepts ``127.0.0.1`` or ``localhost``. + +Inspect the environment +----------------------- + +.. code-block:: bash + + pqsetup doctor + pqsetup doctor --json + +``doctor`` exits with ``0`` when PQ is found and ``1`` when it is not found. + +Validate an input +----------------- + +.. code-block:: bash + + pqsetup validate run.in + pqsetup validate --json run.in + +Exit status: + +.. list-table:: + :header-rows: 1 + :widths: 15 85 + + * - Status + - Meaning + * - ``0`` + - Available checks passed + * - ``1`` + - Local or PQ validation reported an invalid input + * - ``2`` + - PQ validation could not run because of an explicit configuration or + probe error + +Select a PQ executable +---------------------- + +The global option works before the subcommand: + +.. code-block:: bash + + pqsetup --pq-executable /opt/pq/bin/PQ doctor + pqsetup --pq-executable /opt/pq/bin/PQ validate run.in + pqsetup --pq-executable /opt/pq/bin/PQ serve + +PQSetup resolves the executable in this order: + +#. ``--pq-executable`` +#. the saved PQSetup configuration +#. ``PQ_EXECUTABLE`` +#. ``PQ`` or ``pq`` on ``PATH`` +#. a nearby PQ development build, when present + +The saved configuration lives at ``$XDG_CONFIG_HOME/pqsetup/config.json``, or +``~/.config/pqsetup/config.json`` when ``XDG_CONFIG_HOME`` is unset. + +Version +------- + +.. code-block:: bash + + pqsetup --version diff --git a/docs/reference/compatibility.rst b/docs/reference/compatibility.rst new file mode 100644 index 0000000..aa74352 --- /dev/null +++ b/docs/reference/compatibility.rst @@ -0,0 +1,85 @@ +Compatibility +============= + +PQ inputs +--------- + +PQSetup currently writes inputs for the stable PQ v0.6.4 schema. It does not +expose unreleased keywords merely because they exist on a development branch. + +.. list-table:: + :header-rows: 1 + :widths: 30 32 38 + + * - Selected PQ executable + - Input generation + - PQ parser validation + * - Advertises validation schema v1 + - Available + - ``portable`` during export and ``installed`` from the CLI + * - Does not advertise the validation contract + - Available for v0.6.4 inputs + - Not run; local checks remain active + * - Not detected + - Portable export remains available + - Not run; the missing executable is reported + +Calculator availability is reported separately from PQ parser support. + +Structure formats +----------------- + +.. list-table:: + :header-rows: 1 + :widths: 27 23 50 + + * - Format + - Extension + - Notes + * - PQ restart + - ``.rst`` + - Preserves atom names, molecule types, and available velocities or forces + * - CIF + - ``.cif`` + - Read through ASE + * - XYZ / extended XYZ + - ``.xyz``, ``.extxyz`` + - A centered vacuum cell is generated when no cell is present + * - Protein Data Bank + - ``.pdb`` + - Read through ASE + * - MOL / SDF + - ``.mol``, ``.sdf`` + - Read through ASE + * - ASE trajectory + - ``.traj`` + - The final frame is imported + +Uploads are limited to 100 MB. + +Generated cells +--------------- + +PQ uses a cell centered on the origin. PQSetup therefore wraps periodic +coordinates into fractional coordinates from −0.5 to +0.5, equivalent to −L/2 +to +L/2 for an orthorhombic cell. + +For a structure without a cell, the import and preparation model: + +#. centers the coordinate bounds on the origin; +#. adds 6 Å of padding on each side; +#. assigns a diagonal periodic cell; +#. records the generated-cell provenance in ``pqproject.json``. + +QM exports retain this generated cell. MM exports omit the generated ``Box`` and +write the configured density to the PQ input instead. + +QM NPT setup requires an imported physical cell; a generated vacuum cell is not +accepted for that workflow. + +Platform notes +-------------- + +The local interface is Python-based and does not require Node.js at runtime. +Exported launchers require Bash. Calculator and PQ platform support still +depends on the selected external software. diff --git a/docs/run-packages.rst b/docs/run-packages.rst new file mode 100644 index 0000000..05f31a9 --- /dev/null +++ b/docs/run-packages.rst @@ -0,0 +1,88 @@ +.. _run-packages: + +Run packages +============ + +PQSetup exports a self-contained ZIP archive. After extracting it into a +project directory, a continued NVT plan with equilibration can look like this: + +.. code-block:: text + + water-nvt/ + ├── run-eq.in + ├── run-01.in + ├── run-02.in + ├── run-03.in + ├── water-example.rst + ├── run.sh + └── pqproject.json + +Required force-field files or calculator templates are included when the +method needs them. + +Restart order +------------- + +The input sequence is explicit: + +.. code-block:: text + + run-eq.in → run-01.in → run-02.in → run-03.in + +Each input writes the restart consumed by the next stage. Filenames use ``eq`` +for equilibration and zero-padded sampling indices up to ``999``. + +Run launcher +------------ + +``run.sh`` is an executable Bash script that reads the recorded execution +order. Supply the PQ executable as an argument: + +.. code-block:: bash + + ./run.sh /opt/pq/bin/PQ + +You can also set it once: + +.. code-block:: bash + + PQ_EXECUTABLE=/opt/pq/bin/PQ ./run.sh + +The script: + +#. resolves and checks the executable; +#. runs each input in order; +#. writes one log per input under ``run-logs/``; +#. stops at the first non-zero exit or missing ``PQ ended normally`` marker. + +It does not submit a scheduler job. + +Project manifest +---------------- + +``pqproject.json`` records: + +* the PQSetup version and target PQ release; +* the scientific plan and execution order; +* input, structure, setup-file, and run-script SHA-256 hashes; +* structure and preparation provenance; +* the PQ and calculator environment seen during export; +* warnings and the result of each PQ validation layer. + +The manifest makes it possible to inspect what was prepared without parsing +the decorative input header. + +Move to another machine +----------------------- + +The package is designed to be transferred to the machine that has the required +PQ build and calculator. Re-run environment checks there before a long +simulation: + +.. code-block:: bash + + pqsetup --pq-executable /cluster/apps/PQ doctor + pqsetup --pq-executable /cluster/apps/PQ validate run-01.in + +Then use the package launcher directly or call it from the site's scheduler +script. diff --git a/docs/validation.rst b/docs/validation.rst new file mode 100644 index 0000000..de85291 --- /dev/null +++ b/docs/validation.rst @@ -0,0 +1,90 @@ +.. _validation: + +Validation +========== + +PQSetup separates local checks, environment discovery, and PQ parser +validation. The interface states which layers actually ran. + +Local preflight +--------------- + +Local checks run while the setup is edited. They cover: + +* readable structure data, finite coordinates, and known elements; +* periodic-cell geometry and PQ's centered wrapping convention; +* unusually close atom pairs using ASE covalent radii; +* ensemble and coupling parameters; +* required calculator, topology, parameter, and template files; +* restart names and generated-input consistency. + +The close-contact scan is a bounded geometric heuristic. It reports up to 200 +contacts and does not establish bonding, protonation, or chemical correctness. + +Environment discovery +--------------------- + +``pqsetup doctor`` and the Method step inspect PQ and supported external +calculators. A detected executable means that the command or package was found +and its setup appears complete enough for input generation. + +Discovery does not run a reference energy, force, or dynamics calculation. +Warnings may therefore accompany an export that is intended for another +machine. + +PQ parser validation +-------------------- + +When a selected PQ executable advertises validation schema v1, PQSetup calls +PQ's own parser: + +.. list-table:: + :header-rows: 1 + :widths: 30 20 50 + + * - Context + - Scope + - Purpose + * - Package preview and export + - ``portable`` + - Check syntax and release-level input support without requiring the local + calculator + * - ``pqsetup validate run.in`` + - ``installed`` + - Check syntax and the capabilities of the installed PQ build + +PQSetup discovers this support through ``PQ --capabilities=json``. Builds +without the contract continue to receive local checks, and the missing PQ +validation is reported explicitly. + +What validation does not prove +------------------------------ + +Passing preflight does not prove: + +* that the model chemistry or force field is appropriate; +* that the timestep and coupling constants are stable; +* that equilibration or sampling is long enough; +* that the vacuum or periodic cell is converged; +* that the structure has the intended bonding, charge, spin, or protonation; +* that a detected calculator will produce scientifically meaningful results. + +Treat every preset as a starting template. Review the generated inputs and test +the protocol on the intended execution environment. + +Validate an existing input +-------------------------- + +.. code-block:: bash + + pqsetup validate run.in + +Use ``--json`` for structured diagnostics: + +.. code-block:: bash + + pqsetup validate --json run.in + +An explicitly configured but unusable PQ executable is an error. A PQ build +that does not advertise installed validation produces a warning after local +checks. diff --git a/docs/workflow.rst b/docs/workflow.rst new file mode 100644 index 0000000..666e752 --- /dev/null +++ b/docs/workflow.rst @@ -0,0 +1,107 @@ +.. _workflow: + +Build a run +=========== + +PQSetup keeps the scientific setup in five visible steps. The preflight panel +updates as the structure, method, and protocol change. + +1. System +--------- + +Import ``.rst``, ``.cif``, ``.xyz``, ``.extxyz``, ``.pdb``, ``.mol``, +``.sdf``, or ``.traj``. For a multi-frame trajectory, PQSetup imports the +final frame. + +The structure pass checks finite coordinates, element labels, the periodic +cell, and unusually close contacts. Periodic coordinates are wrapped to +fractional coordinates from −0.5 to +0.5. For an orthorhombic cell, that is +−L/2 to +L/2. The original file is not modified. + +Structures without a cell receive an orthorhombic cell with 6 Å of padding on +each side. That generated cell is a convenient vacuum boundary, not a claim +that the chosen dimensions are physically converged. + +2. Method +--------- + +Choose one interaction model: + +* **Molecular mechanics** with GUFF, bonded plus GUFF, or a classical force + field and the required topology or parameter files. +* **QM molecular dynamics** with one supported external calculator and any + required templates. + +PQSetup checks whether the selected calculator appears available in the +current environment. This is a discovery check, not an energy or force +calculation. A portable package can still be prepared for another machine when +the local calculator is absent. + +3. Conditions +------------- + +Sampling can use NVE, NVT, or NPT. Temperature coupling, pressure coupling +(``manostat`` in PQ), timestep, target conditions, and run length remain +editable. + +Add an optional NVT equilibration stage, then write sampling as one input or a +numbered restart chain. Every later input reads the previous restart. + +.. figure:: assets/screenshots/run-plan.png + :alt: PQSetup linked equilibration and sampling plan + :class: pq-shot + :align: center + + An equilibration restart followed by three continued sampling inputs. + +.. admonition:: Why PQ says manostat + + PQ uses *manostat* for the pressure-coupling algorithm. It is essentially + the component most molecular-dynamics programs call a *barostat*. + +4. Prepare +---------- + +Periodic atoms stay wrapped in PQ's centered-cell convention. For a perfect +crystal, an optional seeded Gaussian position perturbation can break exact +symmetry. The same seed reproduces the same coordinates. + +Velocity initialization is performed by PQ at runtime. PQSetup writes the +temperature and random seed; PQ samples the mass-dependent velocities and +removes net motion. + +5. Review +--------- + +Review the run name, structure name, execution order, continuation files, and +the complete text of every generated input. Errors block package creation; +warnings remain visible and are recorded in the project manifest. + +.. figure:: assets/screenshots/input-review.png + :alt: PQSetup generated input review + :class: pq-shot + :align: center + + The restart relationship and final PQ input are visible before export. + +The exported input header identifies PQSetup and the targeted PQ schema. It is +designed to make provenance obvious without obscuring the settings that +matter. + +Search and shortcuts +-------------------- + +.. list-table:: + :header-rows: 1 + :widths: 65 35 + + * - Action + - Shortcut + * - Search settings and actions + - :kbd:`Ctrl+K` / :kbd:`Cmd+K` + * - Jump to workflow step + - :kbd:`Alt+1` … :kbd:`Alt+5` + * - Create the package + - :kbd:`Ctrl+Enter` / :kbd:`Cmd+Enter` + * - Close search + - :kbd:`Esc` diff --git a/pyproject.toml b/pyproject.toml index 80b2efc..5264bdb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -38,6 +38,12 @@ dependencies = [ ] [project.optional-dependencies] +docs = [ + "furo>=2024.8.6,<2027", + "sphinx>=8,<9", + "sphinx-copybutton>=0.5,<1", + "sphinx-design>=0.6,<1", +] test = [ "httpx>=0.27", "pytest>=8.0", @@ -51,6 +57,7 @@ dev = [ pqsetup = "pqsetup.cli:main" [project.urls] +Documentation = "https://molarverse.github.io/PQSetup/" Repository = "https://github.com/MolarVerse/PQSetup" Issues = "https://github.com/MolarVerse/PQSetup/issues" PQ = "https://github.com/MolarVerse/PQ" diff --git a/uv.lock b/uv.lock index 30aaed9..d7e7b76 100644 --- a/uv.lock +++ b/uv.lock @@ -6,6 +6,27 @@ resolution-markers = [ "python_full_version < '3.12'", ] +[[package]] +name = "accessible-pygments" +version = "0.0.5" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "pygments" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/bc/c1/bbac6a50d02774f91572938964c582fff4270eee73ab822a4aeea4d8b11b/accessible_pygments-0.0.5.tar.gz", hash = "sha256:40918d3e6a2b619ad424cb91e556bd3bd8865443d9f22f1dcdf79e33c8046872", size = 1377899, upload-time = "2024-05-10T11:23:10.216Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/8d/3f/95338030883d8c8b91223b4e21744b04d11b161a3ef117295d8241f50ab4/accessible_pygments-0.0.5-py3-none-any.whl", hash = "sha256:88ae3211e68a1d0b011504b2ffc1691feafce124b845bd072ab6f9f66f34d4b7", size = 1395903, upload-time = "2024-05-10T11:23:08.421Z" }, +] + +[[package]] +name = "alabaster" +version = "1.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/a6/f8/d9c74d0daf3f742840fd818d69cfae176fa332022fd44e3469487d5a9420/alabaster-1.0.0.tar.gz", hash = "sha256:c00dca57bca26fa62a6d7d0a9fcce65f3e026e9bfe33e9c538fd3fbb2144fd9e", size = 24210, upload-time = "2024-07-26T18:15:03.762Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/7e/b3/6b4067be973ae96ba0d615946e314c5ae35f9f993eca561b356540bb0c2b/alabaster-1.0.0-py3-none-any.whl", hash = "sha256:fc6786402dc3fcb2de3cabd5fe455a2db534b371124f1f21de8731783dec828b", size = 13929, upload-time = "2024-07-26T18:15:02.05Z" }, +] + [[package]] name = "annotated-doc" version = "0.0.4" @@ -54,6 +75,28 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/66/a6/a3d29378618d3d9ba0962473f8bbf09a5ad15eb8b210c5153fb88d0b8aad/ase-3.29.0-py3-none-any.whl", hash = "sha256:7b9dd103f007810339c24acfee2f6b677c0c48443b21d3c98e52959246cf4ebf", size = 3014724, upload-time = "2026-06-21T16:03:03.794Z" }, ] +[[package]] +name = "babel" +version = "2.18.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/7d/b2/51899539b6ceeeb420d40ed3cd4b7a40519404f9baf3d4ac99dc413a834b/babel-2.18.0.tar.gz", hash = "sha256:b80b99a14bd085fcacfa15c9165f651fbb3406e66cc603abf11c5750937c992d", size = 9959554, upload-time = "2026-02-01T12:30:56.078Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/77/f5/21d2de20e8b8b0408f0681956ca2c69f1320a3848ac50e6e7f39c6159675/babel-2.18.0-py3-none-any.whl", hash = "sha256:e2b422b277c2b9a9630c1d7903c2a00d0830c409c59ac8cae9081c92f1aeba35", size = 10196845, upload-time = "2026-02-01T12:30:53.445Z" }, +] + +[[package]] +name = "beautifulsoup4" +version = "4.15.0" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "soupsieve" }, + { name = "typing-extensions" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/43/65/318323f98dbee45d42dff61d8f047181bc6f2268a9068cfad035a46be5af/beautifulsoup4-4.15.0.tar.gz", hash = "sha256:288e3ca7d54b06f2ac191970bc275c1939cb46d450b255bf6718b04aa37ab4f7", size = 632571, upload-time = "2026-06-07T16:44:20.453Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/88/c6/92fcd42f1ba33e1184263f25bfabf3d27c383410470f169e4b8163bf9c17/beautifulsoup4-4.15.0-py3-none-any.whl", hash = "sha256:d6f88de62e1d4e38ecb1077eb9724cd0eff29d2a08ca16a401e9b9e93f117cf9", size = 109924, upload-time = "2026-06-07T16:44:21.566Z" }, +] + [[package]] name = "certifi" version = "2026.7.22" @@ -63,6 +106,80 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/0b/a7/71ac2cff56fec219ed242bb11b8efb69fcc4bec75db06fb7bfe35de520e6/certifi-2026.7.22-py3-none-any.whl", hash = "sha256:62f22742b58a1a33014a2b6b706588a8d7e2a88ae7bd1a6ebe8c992928483775", size = 136983, upload-time = "2026-07-22T03:35:11.276Z" }, ] +[[package]] +name = "charset-normalizer" +version = "3.4.9" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/bd/2a/23f34ec9d04624958e137efdc394888716353190e75f25dd22c7a2c7a8aa/charset_normalizer-3.4.9.tar.gz", hash = "sha256:673611bbd43f0810bec0b0f028ddeaaa501190339cac411f347ac76917c3ae7b", size = 152439, upload-time = "2026-07-07T14:34:58.454Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/0b/e3/85ec501f206fb049259288c1f3506e53876937fb00edb47009348e66756b/charset_normalizer-3.4.9-cp311-cp311-macosx_10_9_universal2.whl", hash = "sha256:0e94703ec9684807f20cfb5eed95c70f67f2a8f21ad620146d7b5a13677b93e5", size = 317075, upload-time = "2026-07-07T14:32:56.021Z" }, + { url = "https://files.pythonhosted.org/packages/c3/69/2a5385192e67175f7d8bd5ce4f57c24bc956439adeae5c13a99aa28a53d1/charset_normalizer-3.4.9-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:2a441ea71902098ffe78c5abe6c494f44160b4af614ed16c3d9a3b1d17fd8ee2", size = 213837, upload-time = "2026-07-07T14:32:57.78Z" }, + { url = "https://files.pythonhosted.org/packages/b3/46/03ddc7da576d814fe0a36dd1f0fd3258e95404b4b2e3c026b7923d7e133f/charset_normalizer-3.4.9-cp311-cp311-manylinux2014_ppc64le.manylinux_2_17_ppc64le.manylinux_2_28_ppc64le.whl", hash = "sha256:304b13570067b2547562e308af560b3963857b1fa90bd6afd978130130fe2d6a", size = 235503, upload-time = "2026-07-07T14:32:59.205Z" }, + { url = "https://files.pythonhosted.org/packages/4e/6e/de0229a7ef40f6f9d28a837eebf4ec47bdca5dab4e900c84f22919af636a/charset_normalizer-3.4.9-cp311-cp311-manylinux2014_s390x.manylinux_2_17_s390x.manylinux_2_28_s390x.whl", hash = "sha256:4773092f8019072343a7447203308b176e10199920eb02d6195e81bbb3274c29", size = 229944, upload-time = "2026-07-07T14:33:00.803Z" }, + { url = "https://files.pythonhosted.org/packages/a5/34/49b9060e8418b14fb5cba9cf6bfb383111e2538a03a1fb18e66a95aeb3d5/charset_normalizer-3.4.9-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:04ce310cb89c15df659582aee80a0603788732a5e017d5bd5c81158106ce249c", size = 221276, upload-time = "2026-07-07T14:33:02.199Z" }, + { url = "https://files.pythonhosted.org/packages/44/95/80282cce0fae9c3061203d723ee87da996aed79679e65d8935050ee7ca1f/charset_normalizer-3.4.9-cp311-cp311-manylinux_2_31_armv7l.whl", hash = "sha256:c0323c9daef75ef2e5083624b4585018a0c9d5e3b40f607eed81a311270b934b", size = 205260, upload-time = "2026-07-07T14:33:03.698Z" }, + { url = "https://files.pythonhosted.org/packages/0c/74/2f62c8821b969ea3bd67cc2e6976834f48ca5d12664d2559ebcd9bcfbed7/charset_normalizer-3.4.9-cp311-cp311-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:871ff67ea1aad4dfd91736464934d56b32dac49f9fbe16cddba36198a7b3a0db", size = 217786, upload-time = "2026-07-07T14:33:05.12Z" }, + { url = "https://files.pythonhosted.org/packages/d9/8d/feabb82cb49fcad14515b1d7d1ca4787b0da7fc723a212bf89bc9e0fac52/charset_normalizer-3.4.9-cp311-cp311-musllinux_1_2_aarch64.whl", hash = "sha256:67830fc78e67501f47bb950471b2dcb9b35b140084429318e862895a8e89c993", size = 216798, upload-time = "2026-07-07T14:33:06.629Z" }, + { url = "https://files.pythonhosted.org/packages/a5/ff/c946d63bc3786d5b84d960b0f7ab7e25b828486a946b5aa997625bcaf6a6/charset_normalizer-3.4.9-cp311-cp311-musllinux_1_2_armv7l.whl", hash = "sha256:3d92613ec25e43b05f042302531ec0f00b8445190e43325880cbd6ab7c2581da", size = 206429, upload-time = "2026-07-07T14:33:08.006Z" }, + { url = "https://files.pythonhosted.org/packages/af/ba/5e5007c370702f85d2ef75791fac7943ed41e080364a673b20142e430e3e/charset_normalizer-3.4.9-cp311-cp311-musllinux_1_2_x86_64.whl", hash = "sha256:280081916dc341820640489a66e4696049401ef1cf6dd672f672e70ad915aca3", size = 223066, upload-time = "2026-07-07T14:33:09.783Z" }, + { url = "https://files.pythonhosted.org/packages/83/d5/9096aa3cf532dfad237861544eb47a0f20d5adbf1039760fed8eaae935d9/charset_normalizer-3.4.9-cp311-cp311-win32.whl", hash = "sha256:ac351b3b8014eead140e77e9717e2992c6bbe30b63bc3422422eb84865412e3d", size = 150456, upload-time = "2026-07-07T14:33:11.217Z" }, + { url = "https://files.pythonhosted.org/packages/ed/a1/e29995109e455dc8eff8d0fac6ae509be39561318a7cfeac5d33ad029213/charset_normalizer-3.4.9-cp311-cp311-win_amd64.whl", hash = "sha256:6366a16e1a25018694d6a5d784d09b046edc9eac40ea2b54065c3052672516a1", size = 161410, upload-time = "2026-07-07T14:33:12.743Z" }, + { url = "https://files.pythonhosted.org/packages/4f/8d/1569f4d0032d6ba2a4fe4591c35bf87868c600c41a71eb5c2e1ffa8464c2/charset_normalizer-3.4.9-cp311-cp311-win_arm64.whl", hash = "sha256:1d22856ffbe153a602df38e4a5464f0b748a54002e0d69ac6d2ad0a197cc99ec", size = 152649, upload-time = "2026-07-07T14:33:14.173Z" }, + { url = "https://files.pythonhosted.org/packages/70/4a/ecbd131485c07fcdfad54e28946d513e3da22ef3b4bd854dcafae54ec739/charset_normalizer-3.4.9-cp312-cp312-macosx_10_13_universal2.whl", hash = "sha256:45b0cc4e3556cd875e09102988d1ab8356c998b596c9fced84547c8138b487a0", size = 319300, upload-time = "2026-07-07T14:33:15.666Z" }, + { url = "https://files.pythonhosted.org/packages/ec/96/5d9364e3342d69f3a045e1777bc47c85c383e6e9466d561b33fdb419d1f9/charset_normalizer-3.4.9-cp312-cp312-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:9b2aff1c7b3884512b9512c3eaadd9bab39fb45042ffaaa1dd08ff2b9f8109d9", size = 215802, upload-time = "2026-07-07T14:33:17.031Z" }, + { url = "https://files.pythonhosted.org/packages/4b/4c/5361f9aa7f2cb58d94f2ab831b3d493f69efb1d239654b4744e3c09527cb/charset_normalizer-3.4.9-cp312-cp312-manylinux2014_ppc64le.manylinux_2_17_ppc64le.manylinux_2_28_ppc64le.whl", hash = "sha256:9104ed0bd76a429d46f9ec0dbc9b08ad1d2dcdf2b00a5a0daa1c145329b35b44", size = 237171, upload-time = "2026-07-07T14:33:18.576Z" }, + { url = "https://files.pythonhosted.org/packages/50/78/ce342ca4ff30b2eb49fe6d9578df85974f90c67d294113e94efdd9664cbd/charset_normalizer-3.4.9-cp312-cp312-manylinux2014_s390x.manylinux_2_17_s390x.manylinux_2_28_s390x.whl", hash = "sha256:7b86a2b16095d250c6f58b3d9b2eee6f4147754344f3dab0922f7c9bf7d226c9", size = 233075, upload-time = "2026-07-07T14:33:20.084Z" }, + { url = "https://files.pythonhosted.org/packages/01/c4/4fa4c8b3097a11f3c5f09a35b72ed6855fb1d332469504962ab7bafcc702/charset_normalizer-3.4.9-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:5e226f6218febc71f6c1fc2fafb91c226f75bdc1d8fb12d66823716e891608fd", size = 224256, upload-time = "2026-07-07T14:33:21.747Z" }, + { url = "https://files.pythonhosted.org/packages/87/3a/ad914516df7e358a81aae018caa5e0470ba827fa6d763b1d2e87d920a5f6/charset_normalizer-3.4.9-cp312-cp312-manylinux_2_31_armv7l.whl", hash = "sha256:90c44bc373b7687f6948b693cceaea1348ae0975d7474746559494468e3c1d84", size = 208784, upload-time = "2026-07-07T14:33:23.313Z" }, + { url = "https://files.pythonhosted.org/packages/d7/74/3c12f9755717dfe5c5c87da63f35d765fa0c00382ec26bf23f7fae34f2ba/charset_normalizer-3.4.9-cp312-cp312-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:9cdef90ae47919cae358d8ab15797a800ed41da7aba5d72419fb510729e2ed4b", size = 219928, upload-time = "2026-07-07T14:33:24.814Z" }, + { url = "https://files.pythonhosted.org/packages/33/9a/895095b83e7907abd6d3d99aad3a38ad0d9686cc186cb0c94c24320fe63e/charset_normalizer-3.4.9-cp312-cp312-musllinux_1_2_aarch64.whl", hash = "sha256:60f44ade2cf573dad7a277e6f8ca9a51a21dda572b13bd7d8539bb3cd5dbedde", size = 218489, upload-time = "2026-07-07T14:33:26.42Z" }, + { url = "https://files.pythonhosted.org/packages/a1/34/ef5c05f412f42520d7709b7d3784d19640839eb7366ded1755511585429f/charset_normalizer-3.4.9-cp312-cp312-musllinux_1_2_armv7l.whl", hash = "sha256:a1786910334ed46ab1dd73222f2cd1e05c2c3bb39f6dddb4f8b36fc382058a39", size = 210267, upload-time = "2026-07-07T14:33:27.952Z" }, + { url = "https://files.pythonhosted.org/packages/83/dc/9b29fa4412b318bf3bfea985c35d67eb55e04b59a7c3f2237168b0e0be6f/charset_normalizer-3.4.9-cp312-cp312-musllinux_1_2_x86_64.whl", hash = "sha256:03d07803992c6c7bbc976327f34b18b6160327fc81cb82c9d504720ac0be3b62", size = 226030, upload-time = "2026-07-07T14:33:29.397Z" }, + { url = "https://files.pythonhosted.org/packages/0e/42/6dbc00b8cd16011691203e33570fa42ed5746599a2e878112d16eab403a3/charset_normalizer-3.4.9-cp312-cp312-win32.whl", hash = "sha256:78841cccf1af7b40f6f716338d50c0902dbe88d9f800b3c973b7a9a0a693a642", size = 151185, upload-time = "2026-07-07T14:33:30.781Z" }, + { url = "https://files.pythonhosted.org/packages/80/cc/f920afd1a23c58ccd53c1d36085a71893a4737ff5e66e0371efab6809850/charset_normalizer-3.4.9-cp312-cp312-win_amd64.whl", hash = "sha256:4b3dac63058cc36820b0dd072f89898604e2d39686fe05321729d00d8ac185a0", size = 162557, upload-time = "2026-07-07T14:33:32.176Z" }, + { url = "https://files.pythonhosted.org/packages/f0/e6/0386d43a261ff4e4b30c5857af7df877254b46bec7b9d1b74b6bf969a90b/charset_normalizer-3.4.9-cp312-cp312-win_arm64.whl", hash = "sha256:78fa18e436a1a0e58dbd7e02fc4473f3f32cceb12df9dfca542d075961c307d2", size = 152665, upload-time = "2026-07-07T14:33:33.711Z" }, + { url = "https://files.pythonhosted.org/packages/b2/06/97ec2aeae780b31d742b6352218b43841a6871e2564578ca522dce4a45c3/charset_normalizer-3.4.9-cp313-cp313-macosx_10_13_universal2.whl", hash = "sha256:440eede837960000d74978f0eba527be106b5b9aee0daf779d395276ed0b0614", size = 317688, upload-time = "2026-07-07T14:33:35.408Z" }, + { url = "https://files.pythonhosted.org/packages/d0/39/8ff066c672434225f8d25f8b739f992af250944392173dcc88362681c9bf/charset_normalizer-3.4.9-cp313-cp313-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:21e764fd1e70b6a3e205a0e46f3051701f98a8cb3fad66eeb80e48bb502f8698", size = 214982, upload-time = "2026-07-07T14:33:36.996Z" }, + { url = "https://files.pythonhosted.org/packages/92/8f/3a47a3667c83c2df9483d91644c6c107de3bf8874aa1793da9d3012eb986/charset_normalizer-3.4.9-cp313-cp313-manylinux2014_ppc64le.manylinux_2_17_ppc64le.manylinux_2_28_ppc64le.whl", hash = "sha256:e4fd89cc178bced6ad29cb3e6dd4aa63fa5017c3524dbd0b25998fb64a87cc8b", size = 236460, upload-time = "2026-07-07T14:33:38.536Z" }, + { url = "https://files.pythonhosted.org/packages/f1/60/b22cdbee7e4013dab8b0d7647fc6181120fbbbc8f7025c226d15bd5a47fc/charset_normalizer-3.4.9-cp313-cp313-manylinux2014_s390x.manylinux_2_17_s390x.manylinux_2_28_s390x.whl", hash = "sha256:bd47ba7fc3ca94896759ea0109775132d3e7ab921fbf54038e1bab2e46c313c9", size = 232003, upload-time = "2026-07-07T14:33:40.059Z" }, + { url = "https://files.pythonhosted.org/packages/ea/f8/72eb13dcabe7257035cea8aefd922caad2f110d252bf9f67c4c2ca763aee/charset_normalizer-3.4.9-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:84fd18bcc17526fc2b3c1af7d2b9217d32c9c04448c16ec693b9b4f1985c3d33", size = 223149, upload-time = "2026-07-07T14:33:41.631Z" }, + { url = "https://files.pythonhosted.org/packages/b0/3e/faee8f9de92b14ee1198e9163252bb15efee7301b31256a3b6d9ebfdd0dd/charset_normalizer-3.4.9-cp313-cp313-manylinux_2_31_armv7l.whl", hash = "sha256:5b10cd92fc5c498b35a8635df6d5a100207f88b63a4dc1de7ef9a548e1e2cd63", size = 207901, upload-time = "2026-07-07T14:33:43.209Z" }, + { url = "https://files.pythonhosted.org/packages/3a/25/45f30093ae27dd7b92a793b61882a38685f993700113ca36e0c9c14965e1/charset_normalizer-3.4.9-cp313-cp313-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:a4fbdde9dd4a9ce5fd52c2b3a347bb50cc89483ef783f1cb00d408c13f7a96c0", size = 219176, upload-time = "2026-07-07T14:33:44.725Z" }, + { url = "https://files.pythonhosted.org/packages/48/18/c8f397329c35e32f6a837e488986f4ae03bd2abebc453b48714991630c2f/charset_normalizer-3.4.9-cp313-cp313-musllinux_1_2_aarch64.whl", hash = "sha256:416c229f77e5ea25b3dfd4b582f8d73d7e43c22320302b9ab128a2d3a0b38efe", size = 217356, upload-time = "2026-07-07T14:33:46.192Z" }, + { url = "https://files.pythonhosted.org/packages/86/7e/5ce0bba863470fd1902d5e5843968951bddf38abe4742fc97116ef4598b3/charset_normalizer-3.4.9-cp313-cp313-musllinux_1_2_armv7l.whl", hash = "sha256:75286256590a6320cf106a0d28970d3560aad9ee09aa7b34fb40524792436d35", size = 209614, upload-time = "2026-07-07T14:33:47.705Z" }, + { url = "https://files.pythonhosted.org/packages/6c/ef/2473d3c4d869155be4af1191111d59c4d5c4e0173026f7e85b176e23bf65/charset_normalizer-3.4.9-cp313-cp313-musllinux_1_2_x86_64.whl", hash = "sha256:69b157c5d3292bcd443faca052f3096f637f1e074b98212a933c074ae23dc3b8", size = 224991, upload-time = "2026-07-07T14:33:49.238Z" }, + { url = "https://files.pythonhosted.org/packages/d0/a3/53ddae3db108a088156aa8ddfafd411ebbc1340f48c5573f697b27f69a39/charset_normalizer-3.4.9-cp313-cp313-win32.whl", hash = "sha256:51307f5c71007673a2bf8232ad973483d281e74cb99c8c5a990af1eefa6277d9", size = 150622, upload-time = "2026-07-07T14:33:50.711Z" }, + { url = "https://files.pythonhosted.org/packages/e8/ef/6953a77c7cf2c2ff9998e6f575ab3e380119f100223381565a4f94c1f836/charset_normalizer-3.4.9-cp313-cp313-win_amd64.whl", hash = "sha256:fe2c7201c642b7c308f1675355ad7ff7b66acfe3541625efe5a3ad38f29d6115", size = 161947, upload-time = "2026-07-07T14:33:52.197Z" }, + { url = "https://files.pythonhosted.org/packages/6e/fb/d560d1d1555debbfe7849d9cac6145c1b537709d79576bf22557ed803b82/charset_normalizer-3.4.9-cp313-cp313-win_arm64.whl", hash = "sha256:611057cc5d5c0afc743ba8be6bd828c17e0aaa8643f9d0a9b9bb7dea80eb8012", size = 152594, upload-time = "2026-07-07T14:33:53.486Z" }, + { url = "https://files.pythonhosted.org/packages/7e/8d/496817fa0944239ecae662dd57ea765cfeaec6a735f9f025d4b7b72e7143/charset_normalizer-3.4.9-cp314-cp314-macosx_10_15_universal2.whl", hash = "sha256:0327fcd59a935777d83410750c50600ee9571af2846f71ce40f25b13da1ef380", size = 317253, upload-time = "2026-07-07T14:33:54.994Z" }, + { url = "https://files.pythonhosted.org/packages/2b/f9/ef4a69ea338ad3c0deceea0f5f7d2380ae8b52132b06d652cb0d2cd86706/charset_normalizer-3.4.9-cp314-cp314-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:8a79d9f4d8001473a30c163556b3c3bfebec837495a412dde78b51672f6134f9", size = 215898, upload-time = "2026-07-07T14:33:56.334Z" }, + { url = "https://files.pythonhosted.org/packages/8c/e7/5ddfd76fc061eb52de219658a4aa431cbacadf0a0219c8854f00da50d289/charset_normalizer-3.4.9-cp314-cp314-manylinux2014_ppc64le.manylinux_2_17_ppc64le.manylinux_2_28_ppc64le.whl", hash = "sha256:33bdcc2a32c0a0e861f60841a512c8acc658c87c2ac59d89e3a46dacf7d866e4", size = 236718, upload-time = "2026-07-07T14:33:57.9Z" }, + { url = "https://files.pythonhosted.org/packages/49/ba/768fa3f36048d81c477a0ce61f813bc1454d80917ccfe550abd9f44f5e24/charset_normalizer-3.4.9-cp314-cp314-manylinux2014_s390x.manylinux_2_17_s390x.manylinux_2_28_s390x.whl", hash = "sha256:f840ed6d8ecba8255df8c42b87fadeda98ddfc6eeec05e2dc66e26d46dd6f58a", size = 232519, upload-time = "2026-07-07T14:33:59.811Z" }, + { url = "https://files.pythonhosted.org/packages/f4/c4/b3e049d2aa3766180c78507110543d9d50894cc97f57de543f1be521dcdc/charset_normalizer-3.4.9-cp314-cp314-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:c25fe15c70c59eb7c5ce8c06a1f3fa1da0ecc5ea1e7a5922c40fd2fa9b0d5046", size = 223143, upload-time = "2026-07-07T14:34:01.517Z" }, + { url = "https://files.pythonhosted.org/packages/19/79/55c32d06d76ae4feafe053f061f3e3ab70bcf19f4007797ce8c3efda7830/charset_normalizer-3.4.9-cp314-cp314-manylinux_2_31_armv7l.whl", hash = "sha256:f7fb7d750cfa0a070d2c24e831fd3481019a60dd317ea2b39acbcebc08b6ed81", size = 206742, upload-time = "2026-07-07T14:34:03.04Z" }, + { url = "https://files.pythonhosted.org/packages/10/e0/47c079dd82d217c807479cd59ffd30af56307ea31c108b75758970459ad3/charset_normalizer-3.4.9-cp314-cp314-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:4d1c96a7a18b9690a4d46df09e3e3382406ae3213727cd1019ebade1c4a81917", size = 219191, upload-time = "2026-07-07T14:34:04.657Z" }, + { url = "https://files.pythonhosted.org/packages/42/ab/b9bc2e77d6b44a7e46ef62ec5cac1c9a6ba7b9135a5d560f002696ec9995/charset_normalizer-3.4.9-cp314-cp314-musllinux_1_2_aarch64.whl", hash = "sha256:a4cfde78a9f2880208d16a93b795726a3017d5977e08d1e162a7a31322479c41", size = 218328, upload-time = "2026-07-07T14:34:06.115Z" }, + { url = "https://files.pythonhosted.org/packages/f1/78/c9c71d599f5aa2d42bcdd35cbbd46d7f535351a57e40ff7d8e5a7e219401/charset_normalizer-3.4.9-cp314-cp314-musllinux_1_2_armv7l.whl", hash = "sha256:d4d6fcde76f94f5cb9e43e9e9a61f16dacefd228cbbf6f1a09bd9b219a92f1a1", size = 207406, upload-time = "2026-07-07T14:34:07.554Z" }, + { url = "https://files.pythonhosted.org/packages/f6/39/c914445c321a845097ce4f6ac7de9a18228a77b766272125a1ce00d851eb/charset_normalizer-3.4.9-cp314-cp314-musllinux_1_2_x86_64.whl", hash = "sha256:898f0e9068ca27d37f8e83a5b962821df851532e6c4a7d615c1c033f9da6eedf", size = 225157, upload-time = "2026-07-07T14:34:09.061Z" }, + { url = "https://files.pythonhosted.org/packages/9b/f2/c0d4b8508565a36bc5c624e88ed297f5b0b1095011034d7f5b83a69908b5/charset_normalizer-3.4.9-cp314-cp314-win32.whl", hash = "sha256:c1c948747b03be832dceed96ca815cef7360de9aa19d37c730f8e3f6101aca48", size = 151095, upload-time = "2026-07-07T14:34:10.901Z" }, + { url = "https://files.pythonhosted.org/packages/49/fd/a1d26144398c67486422a72bf5812cda22cb4ccfcd95a290fb41ceb4b8e2/charset_normalizer-3.4.9-cp314-cp314-win_amd64.whl", hash = "sha256:16b65ea0f2465b6fb52aa22de5eca612aa964ddfec00a912e26f4656cbef890b", size = 162796, upload-time = "2026-07-07T14:34:12.47Z" }, + { url = "https://files.pythonhosted.org/packages/20/95/d75e82f8ce9fd323ebf059c16c9aadefb22a1ecde13b7840b35835e4886c/charset_normalizer-3.4.9-cp314-cp314-win_arm64.whl", hash = "sha256:40a126142a56b2dfc0aacbad1de8310cbf60da7656db0e6b16eebd48e3e93519", size = 153334, upload-time = "2026-07-07T14:34:14.044Z" }, + { url = "https://files.pythonhosted.org/packages/00/5e/17398df3a139985ba9d11ed072531986f408c8fca952835ef1ab1820c02b/charset_normalizer-3.4.9-cp314-cp314t-macosx_10_15_universal2.whl", hash = "sha256:609b3ba8fcc0fb5ab7af00719d0fb6ad0cb518e48e7712d12fd68f1327951198", size = 338848, upload-time = "2026-07-07T14:34:15.688Z" }, + { url = "https://files.pythonhosted.org/packages/cd/91/7253a32e86b7e1d1239b1b36ba6dd0f021a21107ab33054b53119cc083b9/charset_normalizer-3.4.9-cp314-cp314t-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:51447e9aa2684679af07ca5021c3db526e0284347ebf4ffcec1154c3350cfe32", size = 223022, upload-time = "2026-07-07T14:34:17.248Z" }, + { url = "https://files.pythonhosted.org/packages/cb/32/2e64bd2be10e89c61e57ebe6a93fd98ae88eb7ebe414b5121f22c96c69eb/charset_normalizer-3.4.9-cp314-cp314t-manylinux2014_ppc64le.manylinux_2_17_ppc64le.manylinux_2_28_ppc64le.whl", hash = "sha256:cc1b0fff8ead343dae06305f954eb8468ba0ec1a97881f42489d198e4ce3c632", size = 241590, upload-time = "2026-07-07T14:34:18.813Z" }, + { url = "https://files.pythonhosted.org/packages/3d/ef/d96ec496cfea0c21db43b0ad03891308b02388d054cc902cf0e5a1ad6a88/charset_normalizer-3.4.9-cp314-cp314t-manylinux2014_s390x.manylinux_2_17_s390x.manylinux_2_28_s390x.whl", hash = "sha256:fa36ec09ef71d158186bc79e359ff5fdd6e7996fe8ab638f00d6b93139ba4fcf", size = 239584, upload-time = "2026-07-07T14:34:20.52Z" }, + { url = "https://files.pythonhosted.org/packages/d4/ce/9af95f7876194bd7a14e3dfe4a4de2e0bff02666a3910d72beafd06cc297/charset_normalizer-3.4.9-cp314-cp314t-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:df115d4d83168fdf2cae48ef1ff6d1cb4c466364e30861b37121de0f3bf1b990", size = 230224, upload-time = "2026-07-07T14:34:22.189Z" }, + { url = "https://files.pythonhosted.org/packages/52/94/af74dde74a3996bd959c350709bfe50e297823d70a8c1cbd54b838880863/charset_normalizer-3.4.9-cp314-cp314t-manylinux_2_31_armv7l.whl", hash = "sha256:f86c6358749bd4fda175388691e3ba8c46e24c5347d0afd20f9b7edfc9faf07d", size = 212667, upload-time = "2026-07-07T14:34:23.857Z" }, + { url = "https://files.pythonhosted.org/packages/ee/f0/f1c4fe746c395922961b5916ed1d7d6e7d4c84851d19ed43cc89980ec953/charset_normalizer-3.4.9-cp314-cp314t-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:32286a2c8d167e897177b673176c1e3e00d4057caf5d2b64eef9a3666b03018e", size = 227179, upload-time = "2026-07-07T14:34:25.586Z" }, + { url = "https://files.pythonhosted.org/packages/e4/56/6c745619ac397e8871e2bcd3cea1eec86b877488f33888b3aef5c3ed506e/charset_normalizer-3.4.9-cp314-cp314t-musllinux_1_2_aarch64.whl", hash = "sha256:83aed2c10721ddd90f68140685391b50811a880af20654c59af6b6c66c40513c", size = 225372, upload-time = "2026-07-07T14:34:27.212Z" }, + { url = "https://files.pythonhosted.org/packages/78/ad/98aae8630ac71f16711968e38a5acfecce41b778bf2f0312851020f565a8/charset_normalizer-3.4.9-cp314-cp314t-musllinux_1_2_armv7l.whl", hash = "sha256:cd6c3d4b783c556fa00bf540854e42f135e2f256abd29669fcd0da0f2dec79c2", size = 215222, upload-time = "2026-07-07T14:34:28.774Z" }, + { url = "https://files.pythonhosted.org/packages/f7/40/9593d54209765207a7f11073c06494c1721e4ca4a0a426c597679bf7f91e/charset_normalizer-3.4.9-cp314-cp314t-musllinux_1_2_x86_64.whl", hash = "sha256:ee2f2a527e3c1a6e6411eb4209642e138b544a2d72fe5d0d76daf77b24063534", size = 231958, upload-time = "2026-07-07T14:34:30.345Z" }, + { url = "https://files.pythonhosted.org/packages/b1/27/693ee5e8a18191eb38647360c51cd505013e2bd3b366aa43fd5344c21e3c/charset_normalizer-3.4.9-cp314-cp314t-win32.whl", hash = "sha256:0d861473f743244d349b50f850d10eb87aeb22bbdcc8e64f79273c94af5a8226", size = 155580, upload-time = "2026-07-07T14:34:31.884Z" }, + { url = "https://files.pythonhosted.org/packages/80/3f/bd97d3d9c613013d07cb7733d299385b41df37f0471310f5a73dc359f0b8/charset_normalizer-3.4.9-cp314-cp314t-win_amd64.whl", hash = "sha256:9b8e0f3107e2200b76f6054de99016eac3ee6762713587b36baaa7e4bd2ae177", size = 167620, upload-time = "2026-07-07T14:34:33.438Z" }, + { url = "https://files.pythonhosted.org/packages/3d/c6/eee9dca4439b1061f76373f06ea855678cc4a64c1c3c90b50e479edbb8eb/charset_normalizer-3.4.9-cp314-cp314t-win_arm64.whl", hash = "sha256:19ac87f93086ce37b86e098888555c4b4bc48102279bae3350098c0ed664b501", size = 158037, upload-time = "2026-07-07T14:34:35.018Z" }, + { url = "https://files.pythonhosted.org/packages/98/2b/f97f1c193fb855c345d678f5077d6926034db0722df74c8f057020e05a25/charset_normalizer-3.4.9-py3-none-any.whl", hash = "sha256:68e5f26a1ad57ded6d1cfb85331d1c1a195314756471d97758c48498bb4dcdf5", size = 64538, upload-time = "2026-07-07T14:34:56.993Z" }, +] + [[package]] name = "click" version = "8.4.2" @@ -176,6 +293,15 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/e7/05/c19819d5e3d95294a6f5947fb9b9629efb316b96de511b418c53d245aae6/cycler-0.12.1-py3-none-any.whl", hash = "sha256:85cef7cff222d8644161529808465972e51340599459b8ac3ccbac5a854e0d30", size = 8321, upload-time = "2023-10-07T05:32:16.783Z" }, ] +[[package]] +name = "docutils" +version = "0.21.2" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/ae/ed/aefcc8cd0ba62a0560c3c18c33925362d46c6075480bfa4df87b28e169a9/docutils-0.21.2.tar.gz", hash = "sha256:3a6b18732edf182daa3cd12775bbb338cf5691468f91eeeb109deff6ebfa986f", size = 2204444, upload-time = "2024-04-23T18:57:18.24Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/8f/d7/9322c609343d929e75e7e5e6255e614fcc67572cfd083959cdef3b7aad79/docutils-0.21.2-py3-none-any.whl", hash = "sha256:dafca5b9e384f0e419294eb4d2ff9fa826435bf15f15b7bd45723e8ad76811b2", size = 587408, upload-time = "2024-04-23T18:57:14.835Z" }, +] + [[package]] name = "fastapi" version = "0.140.0" @@ -241,6 +367,22 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/2c/47/c99d5268f354002ce80f8d029cd9d7d872969da1de8b93d32de4dc56d6f4/fonttools-4.63.0-py3-none-any.whl", hash = "sha256:445af2eab030a16b9171ea8bdda7ebf7d96bda2df88ee182a464252f6e05e20d", size = 1164562, upload-time = "2026-05-14T12:04:29.092Z" }, ] +[[package]] +name = "furo" +version = "2025.12.19" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "accessible-pygments" }, + { name = "beautifulsoup4" }, + { name = "pygments" }, + { name = "sphinx" }, + { name = "sphinx-basic-ng" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/ec/20/5f5ad4da6a5a27c80f2ed2ee9aee3f9e36c66e56e21c00fde467b2f8f88f/furo-2025.12.19.tar.gz", hash = "sha256:188d1f942037d8b37cd3985b955839fea62baa1730087dc29d157677c857e2a7", size = 1661473, upload-time = "2025-12-19T17:34:40.889Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/f4/b2/50e9b292b5cac13e9e81272c7171301abc753a60460d21505b606e15cf21/furo-2025.12.19-py3-none-any.whl", hash = "sha256:bb0ead5309f9500130665a26bee87693c41ce4dbdff864dbfb6b0dae4673d24f", size = 339262, upload-time = "2025-12-19T17:34:38.905Z" }, +] + [[package]] name = "h11" version = "0.16.0" @@ -287,6 +429,15 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/1e/5e/d4e9f1a599fb8e573b7b87160658329fbf28d19eac2718f51fc3def3aa5a/idna-3.18-py3-none-any.whl", hash = "sha256:7f952cbe720b688055e3f87de14f5c3e5fdaa8bc3928985c4077ca689de849a2", size = 65455, upload-time = "2026-06-02T14:34:06.319Z" }, ] +[[package]] +name = "imagesize" +version = "2.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/6c/e6/7bf14eeb8f8b7251141944835abd42eb20a658d89084b7e1f3e5fe394090/imagesize-2.0.0.tar.gz", hash = "sha256:8e8358c4a05c304f1fccf7ff96f036e7243a189e9e42e90851993c558cfe9ee3", size = 1773045, upload-time = "2026-03-03T14:18:29.941Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/5f/53/fb7122b71361a0d121b669dcf3d31244ef75badbbb724af388948de543e2/imagesize-2.0.0-py2.py3-none-any.whl", hash = "sha256:5667c5bbb57ab3f1fa4bc366f4fbc971db3d5ed011fd2715fd8001f782718d96", size = 9441, upload-time = "2026-03-03T14:18:27.892Z" }, +] + [[package]] name = "iniconfig" version = "2.3.0" @@ -296,6 +447,18 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/cb/b1/3846dd7f199d53cb17f49cba7e651e9ce294d8497c8c150530ed11865bb8/iniconfig-2.3.0-py3-none-any.whl", hash = "sha256:f631c04d2c48c52b84d0d0549c99ff3859c98df65b3101406327ecc7d53fbf12", size = 7484, upload-time = "2025-10-18T21:55:41.639Z" }, ] +[[package]] +name = "jinja2" +version = "3.1.6" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "markupsafe" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/df/bf/f7da0350254c0ed7c72f3e33cef02e048281fec7ecec5f032d4aac52226b/jinja2-3.1.6.tar.gz", hash = "sha256:0137fb05990d35f1275a587e9aee6d56da821fc83491a0fb838183be43f66d6d", size = 245115, upload-time = "2025-03-05T20:05:02.478Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/62/a1/3d680cbfd5f4b8f15abc1d571870c5fc3e594bb582bc3b64ea099db13e56/jinja2-3.1.6-py3-none-any.whl", hash = "sha256:85ece4451f492d0c13c5dd7c13a64681a86afae63a5f347908daf103ce6d2f67", size = 134899, upload-time = "2025-03-05T20:05:00.369Z" }, +] + [[package]] name = "kiwisolver" version = "1.5.0" @@ -402,6 +565,80 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/0a/dd/8050c947d435c8d4bc94e3252f4d8bb8a76cfb424f043a8680be637a57f1/kiwisolver-1.5.0-pp311-pypy311_pp73-win_amd64.whl", hash = "sha256:59cd8683f575d96df5bb48f6add94afc055012c29e28124fcae2b63661b9efb1", size = 73558, upload-time = "2026-03-09T13:15:52.112Z" }, ] +[[package]] +name = "markupsafe" +version = "3.0.3" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/7e/99/7690b6d4034fffd95959cbe0c02de8deb3098cc577c67bb6a24fe5d7caa7/markupsafe-3.0.3.tar.gz", hash = "sha256:722695808f4b6457b320fdc131280796bdceb04ab50fe1795cd540799ebe1698", size = 80313, upload-time = "2025-09-27T18:37:40.426Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/08/db/fefacb2136439fc8dd20e797950e749aa1f4997ed584c62cfb8ef7c2be0e/markupsafe-3.0.3-cp311-cp311-macosx_10_9_x86_64.whl", hash = "sha256:1cc7ea17a6824959616c525620e387f6dd30fec8cb44f649e31712db02123dad", size = 11631, upload-time = "2025-09-27T18:36:18.185Z" }, + { url = "https://files.pythonhosted.org/packages/e1/2e/5898933336b61975ce9dc04decbc0a7f2fee78c30353c5efba7f2d6ff27a/markupsafe-3.0.3-cp311-cp311-macosx_11_0_arm64.whl", hash = "sha256:4bd4cd07944443f5a265608cc6aab442e4f74dff8088b0dfc8238647b8f6ae9a", size = 12058, upload-time = "2025-09-27T18:36:19.444Z" }, + { url = "https://files.pythonhosted.org/packages/1d/09/adf2df3699d87d1d8184038df46a9c80d78c0148492323f4693df54e17bb/markupsafe-3.0.3-cp311-cp311-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:6b5420a1d9450023228968e7e6a9ce57f65d148ab56d2313fcd589eee96a7a50", size = 24287, upload-time = "2025-09-27T18:36:20.768Z" }, + { url = "https://files.pythonhosted.org/packages/30/ac/0273f6fcb5f42e314c6d8cd99effae6a5354604d461b8d392b5ec9530a54/markupsafe-3.0.3-cp311-cp311-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:0bf2a864d67e76e5c9a34dc26ec616a66b9888e25e7b9460e1c76d3293bd9dbf", size = 22940, upload-time = "2025-09-27T18:36:22.249Z" }, + { url = "https://files.pythonhosted.org/packages/19/ae/31c1be199ef767124c042c6c3e904da327a2f7f0cd63a0337e1eca2967a8/markupsafe-3.0.3-cp311-cp311-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:bc51efed119bc9cfdf792cdeaa4d67e8f6fcccab66ed4bfdd6bde3e59bfcbb2f", size = 21887, upload-time = "2025-09-27T18:36:23.535Z" }, + { url = "https://files.pythonhosted.org/packages/b2/76/7edcab99d5349a4532a459e1fe64f0b0467a3365056ae550d3bcf3f79e1e/markupsafe-3.0.3-cp311-cp311-musllinux_1_2_aarch64.whl", hash = "sha256:068f375c472b3e7acbe2d5318dea141359e6900156b5b2ba06a30b169086b91a", size = 23692, upload-time = "2025-09-27T18:36:24.823Z" }, + { url = "https://files.pythonhosted.org/packages/a4/28/6e74cdd26d7514849143d69f0bf2399f929c37dc2b31e6829fd2045b2765/markupsafe-3.0.3-cp311-cp311-musllinux_1_2_riscv64.whl", hash = "sha256:7be7b61bb172e1ed687f1754f8e7484f1c8019780f6f6b0786e76bb01c2ae115", size = 21471, upload-time = "2025-09-27T18:36:25.95Z" }, + { url = "https://files.pythonhosted.org/packages/62/7e/a145f36a5c2945673e590850a6f8014318d5577ed7e5920a4b3448e0865d/markupsafe-3.0.3-cp311-cp311-musllinux_1_2_x86_64.whl", hash = "sha256:f9e130248f4462aaa8e2552d547f36ddadbeaa573879158d721bbd33dfe4743a", size = 22923, upload-time = "2025-09-27T18:36:27.109Z" }, + { url = "https://files.pythonhosted.org/packages/0f/62/d9c46a7f5c9adbeeeda52f5b8d802e1094e9717705a645efc71b0913a0a8/markupsafe-3.0.3-cp311-cp311-win32.whl", hash = "sha256:0db14f5dafddbb6d9208827849fad01f1a2609380add406671a26386cdf15a19", size = 14572, upload-time = "2025-09-27T18:36:28.045Z" }, + { url = "https://files.pythonhosted.org/packages/83/8a/4414c03d3f891739326e1783338e48fb49781cc915b2e0ee052aa490d586/markupsafe-3.0.3-cp311-cp311-win_amd64.whl", hash = "sha256:de8a88e63464af587c950061a5e6a67d3632e36df62b986892331d4620a35c01", size = 15077, upload-time = "2025-09-27T18:36:29.025Z" }, + { url = "https://files.pythonhosted.org/packages/35/73/893072b42e6862f319b5207adc9ae06070f095b358655f077f69a35601f0/markupsafe-3.0.3-cp311-cp311-win_arm64.whl", hash = "sha256:3b562dd9e9ea93f13d53989d23a7e775fdfd1066c33494ff43f5418bc8c58a5c", size = 13876, upload-time = "2025-09-27T18:36:29.954Z" }, + { url = "https://files.pythonhosted.org/packages/5a/72/147da192e38635ada20e0a2e1a51cf8823d2119ce8883f7053879c2199b5/markupsafe-3.0.3-cp312-cp312-macosx_10_13_x86_64.whl", hash = "sha256:d53197da72cc091b024dd97249dfc7794d6a56530370992a5e1a08983ad9230e", size = 11615, upload-time = "2025-09-27T18:36:30.854Z" }, + { url = "https://files.pythonhosted.org/packages/9a/81/7e4e08678a1f98521201c3079f77db69fb552acd56067661f8c2f534a718/markupsafe-3.0.3-cp312-cp312-macosx_11_0_arm64.whl", hash = "sha256:1872df69a4de6aead3491198eaf13810b565bdbeec3ae2dc8780f14458ec73ce", size = 12020, upload-time = "2025-09-27T18:36:31.971Z" }, + { url = "https://files.pythonhosted.org/packages/1e/2c/799f4742efc39633a1b54a92eec4082e4f815314869865d876824c257c1e/markupsafe-3.0.3-cp312-cp312-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:3a7e8ae81ae39e62a41ec302f972ba6ae23a5c5396c8e60113e9066ef893da0d", size = 24332, upload-time = "2025-09-27T18:36:32.813Z" }, + { url = "https://files.pythonhosted.org/packages/3c/2e/8d0c2ab90a8c1d9a24f0399058ab8519a3279d1bd4289511d74e909f060e/markupsafe-3.0.3-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:d6dd0be5b5b189d31db7cda48b91d7e0a9795f31430b7f271219ab30f1d3ac9d", size = 22947, upload-time = "2025-09-27T18:36:33.86Z" }, + { url = "https://files.pythonhosted.org/packages/2c/54/887f3092a85238093a0b2154bd629c89444f395618842e8b0c41783898ea/markupsafe-3.0.3-cp312-cp312-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:94c6f0bb423f739146aec64595853541634bde58b2135f27f61c1ffd1cd4d16a", size = 21962, upload-time = "2025-09-27T18:36:35.099Z" }, + { url = "https://files.pythonhosted.org/packages/c9/2f/336b8c7b6f4a4d95e91119dc8521402461b74a485558d8f238a68312f11c/markupsafe-3.0.3-cp312-cp312-musllinux_1_2_aarch64.whl", hash = "sha256:be8813b57049a7dc738189df53d69395eba14fb99345e0a5994914a3864c8a4b", size = 23760, upload-time = "2025-09-27T18:36:36.001Z" }, + { url = "https://files.pythonhosted.org/packages/32/43/67935f2b7e4982ffb50a4d169b724d74b62a3964bc1a9a527f5ac4f1ee2b/markupsafe-3.0.3-cp312-cp312-musllinux_1_2_riscv64.whl", hash = "sha256:83891d0e9fb81a825d9a6d61e3f07550ca70a076484292a70fde82c4b807286f", size = 21529, upload-time = "2025-09-27T18:36:36.906Z" }, + { url = "https://files.pythonhosted.org/packages/89/e0/4486f11e51bbba8b0c041098859e869e304d1c261e59244baa3d295d47b7/markupsafe-3.0.3-cp312-cp312-musllinux_1_2_x86_64.whl", hash = "sha256:77f0643abe7495da77fb436f50f8dab76dbc6e5fd25d39589a0f1fe6548bfa2b", size = 23015, upload-time = "2025-09-27T18:36:37.868Z" }, + { url = "https://files.pythonhosted.org/packages/2f/e1/78ee7a023dac597a5825441ebd17170785a9dab23de95d2c7508ade94e0e/markupsafe-3.0.3-cp312-cp312-win32.whl", hash = "sha256:d88b440e37a16e651bda4c7c2b930eb586fd15ca7406cb39e211fcff3bf3017d", size = 14540, upload-time = "2025-09-27T18:36:38.761Z" }, + { url = "https://files.pythonhosted.org/packages/aa/5b/bec5aa9bbbb2c946ca2733ef9c4ca91c91b6a24580193e891b5f7dbe8e1e/markupsafe-3.0.3-cp312-cp312-win_amd64.whl", hash = "sha256:26a5784ded40c9e318cfc2bdb30fe164bdb8665ded9cd64d500a34fb42067b1c", size = 15105, upload-time = "2025-09-27T18:36:39.701Z" }, + { url = "https://files.pythonhosted.org/packages/e5/f1/216fc1bbfd74011693a4fd837e7026152e89c4bcf3e77b6692fba9923123/markupsafe-3.0.3-cp312-cp312-win_arm64.whl", hash = "sha256:35add3b638a5d900e807944a078b51922212fb3dedb01633a8defc4b01a3c85f", size = 13906, upload-time = "2025-09-27T18:36:40.689Z" }, + { url = "https://files.pythonhosted.org/packages/38/2f/907b9c7bbba283e68f20259574b13d005c121a0fa4c175f9bed27c4597ff/markupsafe-3.0.3-cp313-cp313-macosx_10_13_x86_64.whl", hash = "sha256:e1cf1972137e83c5d4c136c43ced9ac51d0e124706ee1c8aa8532c1287fa8795", size = 11622, upload-time = "2025-09-27T18:36:41.777Z" }, + { url = "https://files.pythonhosted.org/packages/9c/d9/5f7756922cdd676869eca1c4e3c0cd0df60ed30199ffd775e319089cb3ed/markupsafe-3.0.3-cp313-cp313-macosx_11_0_arm64.whl", hash = "sha256:116bb52f642a37c115f517494ea5feb03889e04df47eeff5b130b1808ce7c219", size = 12029, upload-time = "2025-09-27T18:36:43.257Z" }, + { url = "https://files.pythonhosted.org/packages/00/07/575a68c754943058c78f30db02ee03a64b3c638586fba6a6dd56830b30a3/markupsafe-3.0.3-cp313-cp313-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:133a43e73a802c5562be9bbcd03d090aa5a1fe899db609c29e8c8d815c5f6de6", size = 24374, upload-time = "2025-09-27T18:36:44.508Z" }, + { url = "https://files.pythonhosted.org/packages/a9/21/9b05698b46f218fc0e118e1f8168395c65c8a2c750ae2bab54fc4bd4e0e8/markupsafe-3.0.3-cp313-cp313-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:ccfcd093f13f0f0b7fdd0f198b90053bf7b2f02a3927a30e63f3ccc9df56b676", size = 22980, upload-time = "2025-09-27T18:36:45.385Z" }, + { url = "https://files.pythonhosted.org/packages/7f/71/544260864f893f18b6827315b988c146b559391e6e7e8f7252839b1b846a/markupsafe-3.0.3-cp313-cp313-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:509fa21c6deb7a7a273d629cf5ec029bc209d1a51178615ddf718f5918992ab9", size = 21990, upload-time = "2025-09-27T18:36:46.916Z" }, + { url = "https://files.pythonhosted.org/packages/c2/28/b50fc2f74d1ad761af2f5dcce7492648b983d00a65b8c0e0cb457c82ebbe/markupsafe-3.0.3-cp313-cp313-musllinux_1_2_aarch64.whl", hash = "sha256:a4afe79fb3de0b7097d81da19090f4df4f8d3a2b3adaa8764138aac2e44f3af1", size = 23784, upload-time = "2025-09-27T18:36:47.884Z" }, + { url = "https://files.pythonhosted.org/packages/ed/76/104b2aa106a208da8b17a2fb72e033a5a9d7073c68f7e508b94916ed47a9/markupsafe-3.0.3-cp313-cp313-musllinux_1_2_riscv64.whl", hash = "sha256:795e7751525cae078558e679d646ae45574b47ed6e7771863fcc079a6171a0fc", size = 21588, upload-time = "2025-09-27T18:36:48.82Z" }, + { url = "https://files.pythonhosted.org/packages/b5/99/16a5eb2d140087ebd97180d95249b00a03aa87e29cc224056274f2e45fd6/markupsafe-3.0.3-cp313-cp313-musllinux_1_2_x86_64.whl", hash = "sha256:8485f406a96febb5140bfeca44a73e3ce5116b2501ac54fe953e488fb1d03b12", size = 23041, upload-time = "2025-09-27T18:36:49.797Z" }, + { url = "https://files.pythonhosted.org/packages/19/bc/e7140ed90c5d61d77cea142eed9f9c303f4c4806f60a1044c13e3f1471d0/markupsafe-3.0.3-cp313-cp313-win32.whl", hash = "sha256:bdd37121970bfd8be76c5fb069c7751683bdf373db1ed6c010162b2a130248ed", size = 14543, upload-time = "2025-09-27T18:36:51.584Z" }, + { url = "https://files.pythonhosted.org/packages/05/73/c4abe620b841b6b791f2edc248f556900667a5a1cf023a6646967ae98335/markupsafe-3.0.3-cp313-cp313-win_amd64.whl", hash = "sha256:9a1abfdc021a164803f4d485104931fb8f8c1efd55bc6b748d2f5774e78b62c5", size = 15113, upload-time = "2025-09-27T18:36:52.537Z" }, + { url = "https://files.pythonhosted.org/packages/f0/3a/fa34a0f7cfef23cf9500d68cb7c32dd64ffd58a12b09225fb03dd37d5b80/markupsafe-3.0.3-cp313-cp313-win_arm64.whl", hash = "sha256:7e68f88e5b8799aa49c85cd116c932a1ac15caaa3f5db09087854d218359e485", size = 13911, upload-time = "2025-09-27T18:36:53.513Z" }, + { url = "https://files.pythonhosted.org/packages/e4/d7/e05cd7efe43a88a17a37b3ae96e79a19e846f3f456fe79c57ca61356ef01/markupsafe-3.0.3-cp313-cp313t-macosx_10_13_x86_64.whl", hash = "sha256:218551f6df4868a8d527e3062d0fb968682fe92054e89978594c28e642c43a73", size = 11658, upload-time = "2025-09-27T18:36:54.819Z" }, + { url = "https://files.pythonhosted.org/packages/99/9e/e412117548182ce2148bdeacdda3bb494260c0b0184360fe0d56389b523b/markupsafe-3.0.3-cp313-cp313t-macosx_11_0_arm64.whl", hash = "sha256:3524b778fe5cfb3452a09d31e7b5adefeea8c5be1d43c4f810ba09f2ceb29d37", size = 12066, upload-time = "2025-09-27T18:36:55.714Z" }, + { url = "https://files.pythonhosted.org/packages/bc/e6/fa0ffcda717ef64a5108eaa7b4f5ed28d56122c9a6d70ab8b72f9f715c80/markupsafe-3.0.3-cp313-cp313t-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:4e885a3d1efa2eadc93c894a21770e4bc67899e3543680313b09f139e149ab19", size = 25639, upload-time = "2025-09-27T18:36:56.908Z" }, + { url = "https://files.pythonhosted.org/packages/96/ec/2102e881fe9d25fc16cb4b25d5f5cde50970967ffa5dddafdb771237062d/markupsafe-3.0.3-cp313-cp313t-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:8709b08f4a89aa7586de0aadc8da56180242ee0ada3999749b183aa23df95025", size = 23569, upload-time = "2025-09-27T18:36:57.913Z" }, + { url = "https://files.pythonhosted.org/packages/4b/30/6f2fce1f1f205fc9323255b216ca8a235b15860c34b6798f810f05828e32/markupsafe-3.0.3-cp313-cp313t-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:b8512a91625c9b3da6f127803b166b629725e68af71f8184ae7e7d54686a56d6", size = 23284, upload-time = "2025-09-27T18:36:58.833Z" }, + { url = "https://files.pythonhosted.org/packages/58/47/4a0ccea4ab9f5dcb6f79c0236d954acb382202721e704223a8aafa38b5c8/markupsafe-3.0.3-cp313-cp313t-musllinux_1_2_aarch64.whl", hash = "sha256:9b79b7a16f7fedff2495d684f2b59b0457c3b493778c9eed31111be64d58279f", size = 24801, upload-time = "2025-09-27T18:36:59.739Z" }, + { url = "https://files.pythonhosted.org/packages/6a/70/3780e9b72180b6fecb83a4814d84c3bf4b4ae4bf0b19c27196104149734c/markupsafe-3.0.3-cp313-cp313t-musllinux_1_2_riscv64.whl", hash = "sha256:12c63dfb4a98206f045aa9563db46507995f7ef6d83b2f68eda65c307c6829eb", size = 22769, upload-time = "2025-09-27T18:37:00.719Z" }, + { url = "https://files.pythonhosted.org/packages/98/c5/c03c7f4125180fc215220c035beac6b9cb684bc7a067c84fc69414d315f5/markupsafe-3.0.3-cp313-cp313t-musllinux_1_2_x86_64.whl", hash = "sha256:8f71bc33915be5186016f675cd83a1e08523649b0e33efdb898db577ef5bb009", size = 23642, upload-time = "2025-09-27T18:37:01.673Z" }, + { url = "https://files.pythonhosted.org/packages/80/d6/2d1b89f6ca4bff1036499b1e29a1d02d282259f3681540e16563f27ebc23/markupsafe-3.0.3-cp313-cp313t-win32.whl", hash = "sha256:69c0b73548bc525c8cb9a251cddf1931d1db4d2258e9599c28c07ef3580ef354", size = 14612, upload-time = "2025-09-27T18:37:02.639Z" }, + { url = "https://files.pythonhosted.org/packages/2b/98/e48a4bfba0a0ffcf9925fe2d69240bfaa19c6f7507b8cd09c70684a53c1e/markupsafe-3.0.3-cp313-cp313t-win_amd64.whl", hash = "sha256:1b4b79e8ebf6b55351f0d91fe80f893b4743f104bff22e90697db1590e47a218", size = 15200, upload-time = "2025-09-27T18:37:03.582Z" }, + { url = "https://files.pythonhosted.org/packages/0e/72/e3cc540f351f316e9ed0f092757459afbc595824ca724cbc5a5d4263713f/markupsafe-3.0.3-cp313-cp313t-win_arm64.whl", hash = "sha256:ad2cf8aa28b8c020ab2fc8287b0f823d0a7d8630784c31e9ee5edea20f406287", size = 13973, upload-time = "2025-09-27T18:37:04.929Z" }, + { url = "https://files.pythonhosted.org/packages/33/8a/8e42d4838cd89b7dde187011e97fe6c3af66d8c044997d2183fbd6d31352/markupsafe-3.0.3-cp314-cp314-macosx_10_13_x86_64.whl", hash = "sha256:eaa9599de571d72e2daf60164784109f19978b327a3910d3e9de8c97b5b70cfe", size = 11619, upload-time = "2025-09-27T18:37:06.342Z" }, + { url = "https://files.pythonhosted.org/packages/b5/64/7660f8a4a8e53c924d0fa05dc3a55c9cee10bbd82b11c5afb27d44b096ce/markupsafe-3.0.3-cp314-cp314-macosx_11_0_arm64.whl", hash = "sha256:c47a551199eb8eb2121d4f0f15ae0f923d31350ab9280078d1e5f12b249e0026", size = 12029, upload-time = "2025-09-27T18:37:07.213Z" }, + { url = "https://files.pythonhosted.org/packages/da/ef/e648bfd021127bef5fa12e1720ffed0c6cbb8310c8d9bea7266337ff06de/markupsafe-3.0.3-cp314-cp314-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:f34c41761022dd093b4b6896d4810782ffbabe30f2d443ff5f083e0cbbb8c737", size = 24408, upload-time = "2025-09-27T18:37:09.572Z" }, + { url = "https://files.pythonhosted.org/packages/41/3c/a36c2450754618e62008bf7435ccb0f88053e07592e6028a34776213d877/markupsafe-3.0.3-cp314-cp314-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:457a69a9577064c05a97c41f4e65148652db078a3a509039e64d3467b9e7ef97", size = 23005, upload-time = "2025-09-27T18:37:10.58Z" }, + { url = "https://files.pythonhosted.org/packages/bc/20/b7fdf89a8456b099837cd1dc21974632a02a999ec9bf7ca3e490aacd98e7/markupsafe-3.0.3-cp314-cp314-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:e8afc3f2ccfa24215f8cb28dcf43f0113ac3c37c2f0f0806d8c70e4228c5cf4d", size = 22048, upload-time = "2025-09-27T18:37:11.547Z" }, + { url = "https://files.pythonhosted.org/packages/9a/a7/591f592afdc734f47db08a75793a55d7fbcc6902a723ae4cfbab61010cc5/markupsafe-3.0.3-cp314-cp314-musllinux_1_2_aarch64.whl", hash = "sha256:ec15a59cf5af7be74194f7ab02d0f59a62bdcf1a537677ce67a2537c9b87fcda", size = 23821, upload-time = "2025-09-27T18:37:12.48Z" }, + { url = "https://files.pythonhosted.org/packages/7d/33/45b24e4f44195b26521bc6f1a82197118f74df348556594bd2262bda1038/markupsafe-3.0.3-cp314-cp314-musllinux_1_2_riscv64.whl", hash = "sha256:0eb9ff8191e8498cca014656ae6b8d61f39da5f95b488805da4bb029cccbfbaf", size = 21606, upload-time = "2025-09-27T18:37:13.485Z" }, + { url = "https://files.pythonhosted.org/packages/ff/0e/53dfaca23a69fbfbbf17a4b64072090e70717344c52eaaaa9c5ddff1e5f0/markupsafe-3.0.3-cp314-cp314-musllinux_1_2_x86_64.whl", hash = "sha256:2713baf880df847f2bece4230d4d094280f4e67b1e813eec43b4c0e144a34ffe", size = 23043, upload-time = "2025-09-27T18:37:14.408Z" }, + { url = "https://files.pythonhosted.org/packages/46/11/f333a06fc16236d5238bfe74daccbca41459dcd8d1fa952e8fbd5dccfb70/markupsafe-3.0.3-cp314-cp314-win32.whl", hash = "sha256:729586769a26dbceff69f7a7dbbf59ab6572b99d94576a5592625d5b411576b9", size = 14747, upload-time = "2025-09-27T18:37:15.36Z" }, + { url = "https://files.pythonhosted.org/packages/28/52/182836104b33b444e400b14f797212f720cbc9ed6ba34c800639d154e821/markupsafe-3.0.3-cp314-cp314-win_amd64.whl", hash = "sha256:bdc919ead48f234740ad807933cdf545180bfbe9342c2bb451556db2ed958581", size = 15341, upload-time = "2025-09-27T18:37:16.496Z" }, + { url = "https://files.pythonhosted.org/packages/6f/18/acf23e91bd94fd7b3031558b1f013adfa21a8e407a3fdb32745538730382/markupsafe-3.0.3-cp314-cp314-win_arm64.whl", hash = "sha256:5a7d5dc5140555cf21a6fefbdbf8723f06fcd2f63ef108f2854de715e4422cb4", size = 14073, upload-time = "2025-09-27T18:37:17.476Z" }, + { url = "https://files.pythonhosted.org/packages/3c/f0/57689aa4076e1b43b15fdfa646b04653969d50cf30c32a102762be2485da/markupsafe-3.0.3-cp314-cp314t-macosx_10_13_x86_64.whl", hash = "sha256:1353ef0c1b138e1907ae78e2f6c63ff67501122006b0f9abad68fda5f4ffc6ab", size = 11661, upload-time = "2025-09-27T18:37:18.453Z" }, + { url = "https://files.pythonhosted.org/packages/89/c3/2e67a7ca217c6912985ec766c6393b636fb0c2344443ff9d91404dc4c79f/markupsafe-3.0.3-cp314-cp314t-macosx_11_0_arm64.whl", hash = "sha256:1085e7fbddd3be5f89cc898938f42c0b3c711fdcb37d75221de2666af647c175", size = 12069, upload-time = "2025-09-27T18:37:19.332Z" }, + { url = "https://files.pythonhosted.org/packages/f0/00/be561dce4e6ca66b15276e184ce4b8aec61fe83662cce2f7d72bd3249d28/markupsafe-3.0.3-cp314-cp314t-manylinux2014_aarch64.manylinux_2_17_aarch64.manylinux_2_28_aarch64.whl", hash = "sha256:1b52b4fb9df4eb9ae465f8d0c228a00624de2334f216f178a995ccdcf82c4634", size = 25670, upload-time = "2025-09-27T18:37:20.245Z" }, + { url = "https://files.pythonhosted.org/packages/50/09/c419f6f5a92e5fadde27efd190eca90f05e1261b10dbd8cbcb39cd8ea1dc/markupsafe-3.0.3-cp314-cp314t-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl", hash = "sha256:fed51ac40f757d41b7c48425901843666a6677e3e8eb0abcff09e4ba6e664f50", size = 23598, upload-time = "2025-09-27T18:37:21.177Z" }, + { url = "https://files.pythonhosted.org/packages/22/44/a0681611106e0b2921b3033fc19bc53323e0b50bc70cffdd19f7d679bb66/markupsafe-3.0.3-cp314-cp314t-manylinux_2_31_riscv64.manylinux_2_39_riscv64.whl", hash = "sha256:f190daf01f13c72eac4efd5c430a8de82489d9cff23c364c3ea822545032993e", size = 23261, upload-time = "2025-09-27T18:37:22.167Z" }, + { url = "https://files.pythonhosted.org/packages/5f/57/1b0b3f100259dc9fffe780cfb60d4be71375510e435efec3d116b6436d43/markupsafe-3.0.3-cp314-cp314t-musllinux_1_2_aarch64.whl", hash = "sha256:e56b7d45a839a697b5eb268c82a71bd8c7f6c94d6fd50c3d577fa39a9f1409f5", size = 24835, upload-time = "2025-09-27T18:37:23.296Z" }, + { url = "https://files.pythonhosted.org/packages/26/6a/4bf6d0c97c4920f1597cc14dd720705eca0bf7c787aebc6bb4d1bead5388/markupsafe-3.0.3-cp314-cp314t-musllinux_1_2_riscv64.whl", hash = "sha256:f3e98bb3798ead92273dc0e5fd0f31ade220f59a266ffd8a4f6065e0a3ce0523", size = 22733, upload-time = "2025-09-27T18:37:24.237Z" }, + { url = "https://files.pythonhosted.org/packages/14/c7/ca723101509b518797fedc2fdf79ba57f886b4aca8a7d31857ba3ee8281f/markupsafe-3.0.3-cp314-cp314t-musllinux_1_2_x86_64.whl", hash = "sha256:5678211cb9333a6468fb8d8be0305520aa073f50d17f089b5b4b477ea6e67fdc", size = 23672, upload-time = "2025-09-27T18:37:25.271Z" }, + { url = "https://files.pythonhosted.org/packages/fb/df/5bd7a48c256faecd1d36edc13133e51397e41b73bb77e1a69deab746ebac/markupsafe-3.0.3-cp314-cp314t-win32.whl", hash = "sha256:915c04ba3851909ce68ccc2b8e2cd691618c4dc4c4232fb7982bca3f41fd8c3d", size = 14819, upload-time = "2025-09-27T18:37:26.285Z" }, + { url = "https://files.pythonhosted.org/packages/1a/8a/0402ba61a2f16038b48b39bccca271134be00c5c9f0f623208399333c448/markupsafe-3.0.3-cp314-cp314t-win_amd64.whl", hash = "sha256:4faffd047e07c38848ce017e8725090413cd80cbc23d86e55c587bf979e579c9", size = 15426, upload-time = "2025-09-27T18:37:27.316Z" }, + { url = "https://files.pythonhosted.org/packages/70/bc/6f1c2f612465f5fa89b95bead1f44dcb607670fd42891d8fdcd5d039f4f4/markupsafe-3.0.3-cp314-cp314t-win_arm64.whl", hash = "sha256:32001d6a8fc98c8cb5c947787c5d08b0a50663d139f1305bac5885d98d9b40fa", size = 14146, upload-time = "2025-09-27T18:37:28.327Z" }, +] + [[package]] name = "matplotlib" version = "3.11.1" @@ -726,6 +963,12 @@ dev = [ { name = "httpx" }, { name = "pytest" }, ] +docs = [ + { name = "furo" }, + { name = "sphinx" }, + { name = "sphinx-copybutton" }, + { name = "sphinx-design" }, +] test = [ { name = "httpx" }, { name = "pytest" }, @@ -735,6 +978,7 @@ test = [ requires-dist = [ { name = "ase", specifier = ">=3.23" }, { name = "fastapi", specifier = ">=0.115" }, + { name = "furo", marker = "extra == 'docs'", specifier = ">=2024.8.6,<2027" }, { name = "httpx", marker = "extra == 'dev'", specifier = ">=0.27" }, { name = "httpx", marker = "extra == 'test'", specifier = ">=0.27" }, { name = "numpy", specifier = ">=2.0" }, @@ -743,9 +987,12 @@ requires-dist = [ { name = "pytest", marker = "extra == 'test'", specifier = ">=8.0" }, { name = "python-multipart", specifier = ">=0.0.18" }, { name = "scipy", specifier = ">=1.13" }, + { name = "sphinx", marker = "extra == 'docs'", specifier = ">=8,<9" }, + { name = "sphinx-copybutton", marker = "extra == 'docs'", specifier = ">=0.5,<1" }, + { name = "sphinx-design", marker = "extra == 'docs'", specifier = ">=0.6,<1" }, { name = "uvicorn", specifier = ">=0.34" }, ] -provides-extras = ["dev", "test"] +provides-extras = ["dev", "docs", "test"] [[package]] name = "pydantic" @@ -919,6 +1166,42 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/e1/04/e8135ebd1ad02c56ec633277529b2602ff99ff634be76cdba5744cf554fd/python_multipart-0.0.32-py3-none-any.whl", hash = "sha256:ff6d3f776f16878c894e52e107296ffc890e913c611b1a4ec6c44e2821fe2e23", size = 30042, upload-time = "2026-06-04T16:18:57.319Z" }, ] +[[package]] +name = "requests" +version = "2.34.2" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "certifi" }, + { name = "charset-normalizer" }, + { name = "idna" }, + { name = "urllib3" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/ac/c3/e2a2b89f2d3e2179abd6d00ebd70bff6273f37fb3e0cc209f48b39d00cbf/requests-2.34.2.tar.gz", hash = "sha256:f288924cae4e29463698d6d60bc6a4da69c89185ad1e0bcc4104f584e960b9ed", size = 142856, upload-time = "2026-05-14T19:25:27.735Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/a0/f4/c67b0b3f1b9245e8d266f0f112c500d50e5b4e83cb6f3b71b6528104182a/requests-2.34.2-py3-none-any.whl", hash = "sha256:2a0d60c172f83ac6ab31e4554906c0f3b3588d37b5cb939b1c061f4907e278e0", size = 73075, upload-time = "2026-05-14T19:25:26.443Z" }, +] + +[[package]] +name = "roman-numerals" +version = "4.1.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/ae/f9/41dc953bbeb056c17d5f7a519f50fdf010bd0553be2d630bc69d1e022703/roman_numerals-4.1.0.tar.gz", hash = "sha256:1af8b147eb1405d5839e78aeb93131690495fe9da5c91856cb33ad55a7f1e5b2", size = 9077, upload-time = "2025-12-17T18:25:34.381Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/04/54/6f679c435d28e0a568d8e8a7c0a93a09010818634c3c3907fc98d8983770/roman_numerals-4.1.0-py3-none-any.whl", hash = "sha256:647ba99caddc2cc1e55a51e4360689115551bf4476d90e8162cf8c345fe233c7", size = 7676, upload-time = "2025-12-17T18:25:33.098Z" }, +] + +[[package]] +name = "roman-numerals-py" +version = "4.1.0" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "roman-numerals" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/cb/b5/de96fca640f4f656eb79bbee0e79aeec52e3e0e359f8a3e6a0d366378b64/roman_numerals_py-4.1.0.tar.gz", hash = "sha256:f5d7b2b4ca52dd855ef7ab8eb3590f428c0b1ea480736ce32b01fef2a5f8daf9", size = 4274, upload-time = "2025-12-17T18:25:41.153Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/27/2c/daca29684cbe9fd4bc711f8246da3c10adca1ccc4d24436b17572eb2590e/roman_numerals_py-4.1.0-py3-none-any.whl", hash = "sha256:553114c1167141c1283a51743759723ecd05604a1b6b507225e91dc1a6df0780", size = 4547, upload-time = "2025-12-17T18:25:40.136Z" }, +] + [[package]] name = "scipy" version = "1.17.1" @@ -1056,6 +1339,142 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/b7/ce/149a00dd41f10bc29e5921b496af8b574d8413afcd5e30dfa0ed46c2cc5e/six-1.17.0-py2.py3-none-any.whl", hash = "sha256:4721f391ed90541fddacab5acf947aa0d3dc7d27b2e1e8eda2be8970586c3274", size = 11050, upload-time = "2024-12-04T17:35:26.475Z" }, ] +[[package]] +name = "snowballstemmer" +version = "3.1.1" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/43/f8/0a71edf031f03c40db17503cb8ca78a69a171254e568e7db241b0ab57ea1/snowballstemmer-3.1.1.tar.gz", hash = "sha256:e07bbc54a0d798fe6010a12398422e62a8bfbba95c394fd0956ef58cb4d3e260", size = 123314, upload-time = "2026-06-03T00:56:40.194Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/4c/07/2ebca9b11fb9be7340a818d8d6f63feaebb146be2c4afbd6061701d6df6e/snowballstemmer-3.1.1-py3-none-any.whl", hash = "sha256:7e207fa178741da09cdee59d3ecec3827ad5f92b1fc5c9ff3755b639f71f5752", size = 104164, upload-time = "2026-06-03T00:56:38.614Z" }, +] + +[[package]] +name = "soupsieve" +version = "2.9.1" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/d9/38/e12680bbe6b4f8f3d17adcaf38d26850aa756c85cf4a80e79fc12a018fe8/soupsieve-2.9.1.tar.gz", hash = "sha256:c33e6605bbc71dd628b00c632d58ae607c22bade247e52553928f83bbb75b4ba", size = 122261, upload-time = "2026-07-21T16:57:17.452Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/0f/2c/437fe806897c2d6cfdc3ee43a18da8bf8e568530a4ae9bac781541ca9896/soupsieve-2.9.1-py3-none-any.whl", hash = "sha256:4f4477399246b7a0c720a88ca2454b11cd6bb9ae4c9d170140786e916776c14c", size = 37404, upload-time = "2026-07-21T16:57:16.421Z" }, +] + +[[package]] +name = "sphinx" +version = "8.2.3" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "alabaster" }, + { name = "babel" }, + { name = "colorama", marker = "sys_platform == 'win32'" }, + { name = "docutils" }, + { name = "imagesize" }, + { name = "jinja2" }, + { name = "packaging" }, + { name = "pygments" }, + { name = "requests" }, + { name = "roman-numerals-py" }, + { name = "snowballstemmer" }, + { name = "sphinxcontrib-applehelp" }, + { name = "sphinxcontrib-devhelp" }, + { name = "sphinxcontrib-htmlhelp" }, + { name = "sphinxcontrib-jsmath" }, + { name = "sphinxcontrib-qthelp" }, + { name = "sphinxcontrib-serializinghtml" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/38/ad/4360e50ed56cb483667b8e6dadf2d3fda62359593faabbe749a27c4eaca6/sphinx-8.2.3.tar.gz", hash = "sha256:398ad29dee7f63a75888314e9424d40f52ce5a6a87ae88e7071e80af296ec348", size = 8321876, upload-time = "2025-03-02T22:31:59.658Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/31/53/136e9eca6e0b9dc0e1962e2c908fbea2e5ac000c2a2fbd9a35797958c48b/sphinx-8.2.3-py3-none-any.whl", hash = "sha256:4405915165f13521d875a8c29c8970800a0141c14cc5416a38feca4ea5d9b9c3", size = 3589741, upload-time = "2025-03-02T22:31:56.836Z" }, +] + +[[package]] +name = "sphinx-basic-ng" +version = "1.0.0b2" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "sphinx" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/98/0b/a866924ded68efec7a1759587a4e478aec7559d8165fac8b2ad1c0e774d6/sphinx_basic_ng-1.0.0b2.tar.gz", hash = "sha256:9ec55a47c90c8c002b5960c57492ec3021f5193cb26cebc2dc4ea226848651c9", size = 20736, upload-time = "2023-07-08T18:40:54.166Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/3c/dd/018ce05c532a22007ac58d4f45232514cd9d6dd0ee1dc374e309db830983/sphinx_basic_ng-1.0.0b2-py3-none-any.whl", hash = "sha256:eb09aedbabfb650607e9b4b68c9d240b90b1e1be221d6ad71d61c52e29f7932b", size = 22496, upload-time = "2023-07-08T18:40:52.659Z" }, +] + +[[package]] +name = "sphinx-copybutton" +version = "0.5.2" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "sphinx" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/fc/2b/a964715e7f5295f77509e59309959f4125122d648f86b4fe7d70ca1d882c/sphinx-copybutton-0.5.2.tar.gz", hash = "sha256:4cf17c82fb9646d1bc9ca92ac280813a3b605d8c421225fd9913154103ee1fbd", size = 23039, upload-time = "2023-04-14T08:10:22.998Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/9e/48/1ea60e74949eecb12cdd6ac43987f9fd331156388dcc2319b45e2ebb81bf/sphinx_copybutton-0.5.2-py3-none-any.whl", hash = "sha256:fb543fd386d917746c9a2c50360c7905b605726b9355cd26e9974857afeae06e", size = 13343, upload-time = "2023-04-14T08:10:20.844Z" }, +] + +[[package]] +name = "sphinx-design" +version = "0.7.0" +source = { registry = "https://pypi.org/simple" } +dependencies = [ + { name = "sphinx" }, +] +sdist = { url = "https://files.pythonhosted.org/packages/13/7b/804f311da4663a4aecc6cf7abd83443f3d4ded970826d0c958edc77d4527/sphinx_design-0.7.0.tar.gz", hash = "sha256:d2a3f5b19c24b916adb52f97c5f00efab4009ca337812001109084a740ec9b7a", size = 2203582, upload-time = "2026-01-19T13:12:53.297Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/30/cf/45dd359f6ca0c3762ce0490f681da242f0530c49c81050c035c016bfdd3a/sphinx_design-0.7.0-py3-none-any.whl", hash = "sha256:f82bf179951d58f55dca78ab3706aeafa496b741a91b1911d371441127d64282", size = 2220350, upload-time = "2026-01-19T13:12:51.077Z" }, +] + +[[package]] +name = "sphinxcontrib-applehelp" +version = "2.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/ba/6e/b837e84a1a704953c62ef8776d45c3e8d759876b4a84fe14eba2859106fe/sphinxcontrib_applehelp-2.0.0.tar.gz", hash = "sha256:2f29ef331735ce958efa4734873f084941970894c6090408b079c61b2e1c06d1", size = 20053, upload-time = "2024-07-29T01:09:00.465Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/5d/85/9ebeae2f76e9e77b952f4b274c27238156eae7979c5421fba91a28f4970d/sphinxcontrib_applehelp-2.0.0-py3-none-any.whl", hash = "sha256:4cd3f0ec4ac5dd9c17ec65e9ab272c9b867ea77425228e68ecf08d6b28ddbdb5", size = 119300, upload-time = "2024-07-29T01:08:58.99Z" }, +] + +[[package]] +name = "sphinxcontrib-devhelp" +version = "2.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/f6/d2/5beee64d3e4e747f316bae86b55943f51e82bb86ecd325883ef65741e7da/sphinxcontrib_devhelp-2.0.0.tar.gz", hash = "sha256:411f5d96d445d1d73bb5d52133377b4248ec79db5c793ce7dbe59e074b4dd1ad", size = 12967, upload-time = "2024-07-29T01:09:23.417Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/35/7a/987e583882f985fe4d7323774889ec58049171828b58c2217e7f79cdf44e/sphinxcontrib_devhelp-2.0.0-py3-none-any.whl", hash = "sha256:aefb8b83854e4b0998877524d1029fd3e6879210422ee3780459e28a1f03a8a2", size = 82530, upload-time = "2024-07-29T01:09:21.945Z" }, +] + +[[package]] +name = "sphinxcontrib-htmlhelp" +version = "2.1.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/43/93/983afd9aa001e5201eab16b5a444ed5b9b0a7a010541e0ddfbbfd0b2470c/sphinxcontrib_htmlhelp-2.1.0.tar.gz", hash = "sha256:c9e2916ace8aad64cc13a0d233ee22317f2b9025b9cf3295249fa985cc7082e9", size = 22617, upload-time = "2024-07-29T01:09:37.889Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/0a/7b/18a8c0bcec9182c05a0b3ec2a776bba4ead82750a55ff798e8d406dae604/sphinxcontrib_htmlhelp-2.1.0-py3-none-any.whl", hash = "sha256:166759820b47002d22914d64a075ce08f4c46818e17cfc9470a9786b759b19f8", size = 98705, upload-time = "2024-07-29T01:09:36.407Z" }, +] + +[[package]] +name = "sphinxcontrib-jsmath" +version = "1.0.1" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/b2/e8/9ed3830aeed71f17c026a07a5097edcf44b692850ef215b161b8ad875729/sphinxcontrib-jsmath-1.0.1.tar.gz", hash = "sha256:a9925e4a4587247ed2191a22df5f6970656cb8ca2bd6284309578f2153e0c4b8", size = 5787, upload-time = "2019-01-21T16:10:16.347Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/c2/42/4c8646762ee83602e3fb3fbe774c2fac12f317deb0b5dbeeedd2d3ba4b77/sphinxcontrib_jsmath-1.0.1-py2.py3-none-any.whl", hash = "sha256:2ec2eaebfb78f3f2078e73666b1415417a116cc848b72e5172e596c871103178", size = 5071, upload-time = "2019-01-21T16:10:14.333Z" }, +] + +[[package]] +name = "sphinxcontrib-qthelp" +version = "2.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/68/bc/9104308fc285eb3e0b31b67688235db556cd5b0ef31d96f30e45f2e51cae/sphinxcontrib_qthelp-2.0.0.tar.gz", hash = "sha256:4fe7d0ac8fc171045be623aba3e2a8f613f8682731f9153bb2e40ece16b9bbab", size = 17165, upload-time = "2024-07-29T01:09:56.435Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/27/83/859ecdd180cacc13b1f7e857abf8582a64552ea7a061057a6c716e790fce/sphinxcontrib_qthelp-2.0.0-py3-none-any.whl", hash = "sha256:b18a828cdba941ccd6ee8445dbe72ffa3ef8cbe7505d8cd1fa0d42d3f2d5f3eb", size = 88743, upload-time = "2024-07-29T01:09:54.885Z" }, +] + +[[package]] +name = "sphinxcontrib-serializinghtml" +version = "2.0.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/3b/44/6716b257b0aa6bfd51a1b31665d1c205fb12cb5ad56de752dfa15657de2f/sphinxcontrib_serializinghtml-2.0.0.tar.gz", hash = "sha256:e9d912827f872c029017a53f0ef2180b327c3f7fd23c87229f7a8e8b70031d4d", size = 16080, upload-time = "2024-07-29T01:10:09.332Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/52/a7/d2782e4e3f77c8450f727ba74a8f12756d5ba823d81b941f1b04da9d033a/sphinxcontrib_serializinghtml-2.0.0-py3-none-any.whl", hash = "sha256:6e2cb0eef194e10c27ec0023bfeb25badbbb5868244cf5bc5bdc04e4464bf331", size = 92072, upload-time = "2024-07-29T01:10:08.203Z" }, +] + [[package]] name = "starlette" version = "1.3.1" @@ -1090,6 +1509,15 @@ wheels = [ { url = "https://files.pythonhosted.org/packages/dc/9b/47798a6c91d8bdb567fe2698fe81e0c6b7cb7ef4d13da4114b41d239f65d/typing_inspection-0.4.2-py3-none-any.whl", hash = "sha256:4ed1cacbdc298c220f1bd249ed5287caa16f34d44ef4e9c3d0cbad5b521545e7", size = 14611, upload-time = "2025-10-01T02:14:40.154Z" }, ] +[[package]] +name = "urllib3" +version = "2.7.0" +source = { registry = "https://pypi.org/simple" } +sdist = { url = "https://files.pythonhosted.org/packages/53/0c/06f8b233b8fd13b9e5ee11424ef85419ba0d8ba0b3138bf360be2ff56953/urllib3-2.7.0.tar.gz", hash = "sha256:231e0ec3b63ceb14667c67be60f2f2c40a518cb38b03af60abc813da26505f4c", size = 433602, upload-time = "2026-05-07T16:13:18.596Z" } +wheels = [ + { url = "https://files.pythonhosted.org/packages/7f/3e/5db95bcf282c52709639744ca2a8b149baccf648e39c8cc87553df9eae0c/urllib3-2.7.0-py3-none-any.whl", hash = "sha256:9fb4c81ebbb1ce9531cce37674bbc6f1360472bc18ca9a553ede278ef7276897", size = 131087, upload-time = "2026-05-07T16:13:17.151Z" }, +] + [[package]] name = "uvicorn" version = "0.51.0"