gliquid 0.1.0__tar.gz

gliquid-0.1.0/.github/CODEOWNERS

@@ -0,0 +1,2 @@
+# Global owner — Josh is auto-requested as reviewer on all PRs
+* @willwerj

gliquid-0.1.0/.github/dependabot.yml

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+version: 2
+updates:
+  # Keep Python dependencies up to date
+  - package-ecosystem: "pip"
+    directory: "/"
+    schedule:
+      interval: "weekly"
+      day: "monday"
+    open-pull-requests-limit: 5
+    reviewers:
+      - "willwerj"
+    ignore:
+      # These are tightly pinned for compatibility — update manually
+      - dependency-name: "scikit-learn"
+        update-types: ["version-update:semver-major", "version-update:semver-minor"]
+      - dependency-name: "xgboost"
+        update-types: ["version-update:semver-major", "version-update:semver-minor"]
+      - dependency-name: "emmet-core"
+        update-types: ["version-update:semver-major", "version-update:semver-minor"]
+
+  # Keep GitHub Actions up to date
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      interval: "monthly"
+    reviewers:
+      - "willwerj"

gliquid-0.1.0/.github/workflows/release.yml

@@ -0,0 +1,128 @@
+name: Release
+
+# Tagging IS the release. hatch-vcs derives the distribution version from the tag, so there
+# is no version literal to bump in src/ -- see the release checklist in CONTRIBUTING.md.
+on:
+  push:
+    tags: ['v*']
+
+# No API token appears anywhere in this file, by design. Both publish jobs use PyPI Trusted
+# Publishing (OIDC): GitHub mints a short-lived identity token at job runtime from
+# `permissions: id-token: write`, and the index trusts this repository + workflow + GitHub
+# environment. The token-based alternative (a stored __token__ password) is deliberately not
+# used -- a leaked long-lived token is exactly what Trusted Publishing removes.
+permissions:
+  contents: read
+
+jobs:
+  build:
+    name: Build sdist and wheel
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          # NOT optional, and the single most dangerous thing to get wrong in this file.
+          # hatch-vcs reads the version from git tags; the default shallow clone has none.
+          # The build would NOT fail -- it would silently emit the pyproject
+          # fallback-version (0.0.0) and publish it. That fallback is 0.0.0 rather than the
+          # release version precisely so this failure is visible in the artifact name.
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Install build tooling
+        run: |
+          python -m pip install --upgrade pip
+          pip install build twine
+
+      - name: Build
+        run: python -m build
+
+      - name: Check metadata
+        run: twine check dist/*
+
+      - name: Show built version
+        # Cheap tripwire for the fetch-depth failure above: a 0.0.0 filename here means the
+        # tag was not visible to hatch-vcs, and nothing downstream should be released.
+        run: ls -l dist/
+
+      - name: Upload distributions
+        uses: actions/upload-artifact@v4
+        with:
+          name: dist
+          path: dist/
+          if-no-files-found: error
+
+  testpypi:
+    name: Publish to TestPyPI
+    needs: [build]
+    runs-on: ubuntu-latest
+    environment: testpypi
+    permissions:
+      id-token: write  # OIDC identity for Trusted Publishing; see the note at the top
+
+    steps:
+      - name: Download distributions
+        uses: actions/download-artifact@v4
+        with:
+          name: dist
+          path: dist/
+
+      - name: Publish to TestPyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/
+
+  pypi:
+    name: Publish to PyPI
+    needs: [testpypi]
+    runs-on: ubuntu-latest
+
+    # LOAD-BEARING, NOT DECORATION. The `pypi` GitHub environment carries a
+    # required-reviewer protection rule, configured in the repository settings UI and not
+    # expressible in this file. That rule is the entire reason "TestPyPI first, then PyPI"
+    # is real rather than aspirational: the run pauses here until a maintainer has looked at
+    # what TestPyPI accepted and approves the deployment. Removing this line -- or deleting
+    # the environment because it "looks empty" -- turns an irreversible publish into an
+    # unattended one. PyPI cannot un-publish a version.
+    environment: pypi
+    permissions:
+      id-token: write  # OIDC identity for Trusted Publishing; see the note at the top
+
+    steps:
+      - name: Download distributions
+        uses: actions/download-artifact@v4
+        with:
+          name: dist
+          path: dist/
+
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+
+  github-release:
+    name: Create GitHub release
+    needs: [pypi]
+    runs-on: ubuntu-latest
+    permissions:
+      contents: write  # required to create the release
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # see the note on the build job
+
+      - name: Download distributions
+        uses: actions/download-artifact@v4
+        with:
+          name: dist
+          path: dist/
+
+      - name: Create release and attach artifacts
+        env:
+          # The automatic, job-scoped GitHub Actions token -- not a stored credential.
+          GH_TOKEN: ${{ github.token }}
+        run: gh release create "$GITHUB_REF_NAME" dist/* --title "$GITHUB_REF_NAME" --generate-notes

gliquid-0.1.0/.github/workflows/tests.yml

@@ -0,0 +1,125 @@
+name: Run Tests
+
+# Every branch, not just main. This workflow previously triggered on main only, while the
+# code being released lived ~90 commits ahead of it -- so it had never actually run against
+# the package it guards.
+on:
+  push:
+    branches: ['**']
+  pull_request:
+    branches: [main]
+
+jobs:
+  test-cached:
+    name: Cached Tests (Python ${{ matrix.python-version }})
+    runs-on: ubuntu-latest
+
+    strategy:
+      # One version failing must not hide the state of the other three.
+      fail-fast: false
+      matrix:
+        # Mirrors requires-python = ">=3.10,<3.14" and the tox compat matrix.
+        python-version: ["3.10", "3.11", "3.12", "3.13"]
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          # NOT optional. hatch-vcs derives the version from the git tag, and the default
+          # shallow clone fetches none. Getting this wrong does not fail the checkout -- it
+          # silently produces the pyproject fallback-version (0.0.0), which is why that
+          # fallback is deliberately not the release version.
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Cache pip dependencies
+        uses: actions/cache@v4
+        with:
+          path: ~/.cache/pip
+          key: ${{ runner.os }}-pip-${{ matrix.python-version }}-${{ hashFiles('pyproject.toml') }}
+          restore-keys: |
+            ${{ runner.os }}-pip-${{ matrix.python-version }}-
+            ${{ runner.os }}-pip-
+
+      - name: Install package and test extra
+        # Install the declared extra rather than a bare `pip install pytest`, so CI
+        # exercises the same dependency set a contributor gets from CONTRIBUTING.md.
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e '.[test]'
+
+      - name: Run cached tests
+        # CI is where the maintainer tier belongs, so both tiers run. The live Materials
+        # Project fetch is deselected by MARKER, not by path: test_dft_data_loading.py moved
+        # to tests_internal/ and carries `needs_network`, and the API job below runs it.
+        run: pytest tests tests_internal -v --tb=short -m "not needs_network"
+
+  test-api:
+    name: API Tests
+    runs-on: ubuntu-latest
+    needs: test-cached
+    if: github.event_name == 'push' && github.ref == 'refs/heads/main'
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # see the note on the cached job
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Cache pip dependencies
+        uses: actions/cache@v4
+        with:
+          path: ~/.cache/pip
+          key: ${{ runner.os }}-pip-3.12-${{ hashFiles('pyproject.toml') }}
+          restore-keys: |
+            ${{ runner.os }}-pip-3.12-
+            ${{ runner.os }}-pip-
+
+      - name: Install package and test extra
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e '.[test]'
+
+      - name: Run API tests
+        env:
+          NEW_MP_API_KEY: ${{ secrets.NEW_MP_API_KEY }}
+        run: pytest tests_internal/test_dft_data_loading.py -v --tb=short
+
+  lint:
+    name: Lint and Format
+    runs-on: ubuntu-latest
+
+    # NON-BLOCKING ON PURPOSE, for one cycle. `ruff format` landed in spec 04 but
+    # `ruff check` still has a backlog of findings; failing every push on it would
+    # red-wall the repo before anyone could read the list. The job exists so the backlog
+    # is VISIBLE in the checks tab. Flip this to false (or just delete the line) once the
+    # backlog is burned down -- leaving it here permanently makes the job decorative.
+    continue-on-error: true
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # see the note on the cached job
+
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Install package and test extra
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e '.[test]'
+
+      - name: Ruff lint
+        run: ruff check src/gliquid tests tests_internal
+
+      - name: Ruff format check
+        run: ruff format --check src/gliquid tests tests_internal

gliquid-0.1.0/.gitignore

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+notebooks/constraint_comparison.ipynb
+notebooks/_executed/
+
+# tox / compat testing
+.tox/
+compat-test-phase1.log
+
+# Python build / cache / packaging artifacts
+__pycache__/
+*.py[cod]
+build/
+*.egg-info/
+# Written by the hatch-vcs build hook from the git tag; regenerated on every build.
+src/gliquid/_version.py
+
+# Logs
+*.log
+
+# Reagent knowledge-graph database (local only)
+.reagent/
+
+# Editor/IDE local config
+.vscode/
+
+# Generated data & local config (kept untracked on main)
+# tox.ini is deliberately NOT here: the cross-version compat matrix is part of the project,
+# and a contributor cannot reproduce it if the file is untracked.
+.claude/
+# requirements/ is deliberately NOT ignored: tox.ini (tracked) drives the min half of the
+# compat matrix from requirements/min-constraints.txt, so ignoring it would leave the
+# matrix unreproducible from a clone -- the same reason tox.ini itself is tracked.
+CONTEXT.md
+data/fit_results_cache_*
+figures/benchmark_*/
+# Per-system DFT entry caches fetched on demand from the Materials Project. A hand-picked
+# set of these IS tracked (the fixtures the test suite reads); this pattern only stops
+# NEWLY fetched ones showing up as untracked noise. Ignoring a path does not untrack
+# anything already in the index, so the committed corpus is unaffected.
+data/*_ENTRIES_MP_GGA.json
+
+# Local secrets (API keys) - never commit
+.env
+.env.*
+
+scripts/build_branch_feature_cache.py
+tests_internal/test_branch_feature_cache.py
+tests/_figures/

gliquid-0.1.0/CHANGELOG.md

@@ -0,0 +1,90 @@
+# Changelog
+
+All notable changes to this project are documented in this file.
+
+The format follows [Keep a Changelog](https://keepachangelog.com/en/1.1.0/), and the project
+follows [Semantic Versioning](https://semver.org/spec/v2.0.0.html). The distribution version is
+derived from the git tag by `hatch-vcs` — tagging `vX.Y.Z` *is* the release — so nothing in the
+source tree carries a version literal that could disagree with this file.
+
+## [Unreleased]
+
+## [0.1.0] - 2026-08-12
+
+First public release. `gliquid` was developed privately before this point, so there are no
+earlier published versions to diff against; this entry describes what the package **is** at
+0.1.0 rather than what changed.
+
+### Added
+
+- **DFT-referenced binary liquid fitting** (`gliquid.binary`). `BinaryLiquid` assembles a
+  two-component system from cached Materials Project DFT entries plus a digitized experimental
+  phase diagram, and `fit_parameters()` optimizes non-ideal liquid mixing parameters against the
+  measured phase boundaries, reporting per-fit MAE. `BinaryLiquid.from_cache()` is the usual
+  entry point.
+- **Solution models** (`gliquid.solution`). `SolutionModel` and the `RKPolyExp`
+  Redlich–Kister/exponential family, with four registered parameter formats — `linear`,
+  `combined`, `comb-exp`, `regular` — selected by name through `param_format=`, plus the
+  temperature scale `tau`.
+- **Phase-equilibrium machinery** (`gliquid.hsx`). `HSX` and `lower_convex_hull` build the
+  enthalpy–entropy–composition lower convex hull that turns free-energy curves into phase
+  fields, liquidus/solidus boundaries and invariant points.
+- **Ternary interpolation** (`gliquid.ternary`). `TernaryLiquidInterpolation` interpolates a
+  ternary liquid free-energy surface from three fitted binary sub-systems, with `TLIPlotter`
+  for isothermal sections and liquidus-surface views.
+- **Unary reference database** (`gliquid.phase`). `UNARY`, `ComponentRef` and `Phase` expose
+  per-element melting points, transition temperatures and lattice stabilities used as the
+  reference states for every mixing calculation.
+- **Experimental phase-diagram ingest** (`gliquid.mpds`). `load_mpds_data()` reads digitized
+  MPDS diagrams, and `identify_invariant_points()` extracts eutectics, peritectics and
+  congruent points from them.
+- **Plotting layer** (`gliquid.plotting`, plus the `BLPlotter`/`TLIPlotter` façades). Plotly
+  binary T–x diagrams, convex-hull and free-energy views, ternary surfaces, a shared style/color
+  module, and figure export helpers.
+- **Interactive hull editor** (`gliquid.hull_editor`). `ConvexHullEditor` is an `ipywidgets`
+  tool for hand-adjusting hull endpoints; the module imports on a bare install and raises a
+  message naming the `editor` extra only when one is actually constructed.
+- **Pre-trained model runner** (`gliquid.production_model_runner`). Loads an exported L0/L1
+  model bundle, predicts from single-row frames while preserving the L1 antisymmetric
+  constraint, and renders compact SHAP force plots.
+- **Bundled reference tables.** `phase_transitions.json`, `omegas_hcp.json` and
+  `spurious_structures.json` ship inside the wheel at `gliquid/data/`, so element free-energy
+  references work immediately after `pip install gliquid` with no external files.
+- **External data-corpus contract** (`gliquid.config`). The per-system DFT entry caches,
+  digitized diagrams and model bundle are megabytes of per-system data that no distribution
+  carries. They are located through `set_data_dir()`, then `GLIQUID_DATA_DIR`, then a source
+  checkout's own `data/`; with none of the three available a call that needs the corpus raises
+  `ConfigError` naming both remedies rather than guessing a directory. Each shipped reference
+  table is overridden by a same-named file in the data directory when one is present.
+- **Optional extras.** `mpds` (live MPDS downloads), `editor` (`ConvexHullEditor` widgets),
+  `models` (the exact `scikit-learn`/`xgboost` versions the serialized model artifacts were
+  pickled against), `notebook` (local Jupyter tooling), `test` (`pytest`, `ruff`).
+- **Library-grade logging.** All output goes through the `gliquid` logger tree, one child
+  logger per module; the package installs no handlers and sets no levels, leaving that to the
+  application. `tests/test_logging_boundary.py` enforces the boundary against the source tree,
+  with two documented exemptions (`mpds.print_phase_mismatch_chart`, `hull_editor._log`).
+- **Demonstration notebooks.** `notebooks/fitting_demo.ipynb`,
+  `notebooks/interpolation_demo.ipynb` and a Colab-ready `notebooks/colab_demo.ipynb`.
+- **Two-tier test suite.** A public `tests/` suite plus a maintainer `tests_internal/` tier of
+  value pins, figure goldens and cache/network-gated families, with `pins`, `needs_cache`,
+  `needs_network` and `slow` markers under `--strict-markers`. See `CONTRIBUTING.md`.
+- **Packaging.** Hatchling with `hatch-vcs`, so the version is single-sourced from the git tag;
+  Python 3.10–3.13 supported and exercised by a `tox` matrix.
+
+### Known limitations
+
+- **`dft_type` supports `GGA` only.** `R2SCAN` and `MIXED` remain recognized names, but neither
+  can currently be fetched, for reasons upstream of this package; both now raise a `ValueError`
+  naming the cause before any network call rather than failing obscurely mid-fetch.
+  `R2SCAN` — the Materials Project stores the thermo type as the literal `r2SCAN` while
+  `emmet.core.thermo.ThermoType.R2SCAN` is `R2SCAN`; `mp_api` validates the argument against the
+  enum and forwards that casing, so the query matches nothing and the fetch comes back empty.
+  `MIXED` — pymatgen's `MaterialsProjectDFTMixingScheme` hashes entry ids, but new-API entries
+  carry `entry_id` as a dict, raising `TypeError: unhashable type: 'dict'`; past that, its
+  r2SCAN half would be empty for the reason above, making it silently GGA-only. The bundled data
+  corpus and every published result are built on `GGA`.
+- **An empty Materials Project fetch now raises rather than being cached.** A zero-entry result
+  used to be written out as a 2-byte `[]`, which every later read then accepted as a warm cache.
+
+[Unreleased]: https://github.com/willwerj/gliquid_python/compare/v0.1.0...HEAD
+[0.1.0]: https://github.com/willwerj/gliquid_python/releases/tag/v0.1.0

gliquid-0.1.0/CITATION.cff

@@ -0,0 +1,42 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it using the metadata below."
+title: "GLiquid"
+abstract: >-
+  A Python package for fitting DFT-referenced liquid free energies from digitized equilibrium
+  phase boundaries, and for interpolating multicomponent phase diagrams from the fitted binary
+  liquid descriptions.
+type: software
+# NOTE: this version is a literal and nothing derives it. The distribution version comes from
+# the git tag via hatch-vcs, so this file and `date-released` below must be bumped BY HAND at
+# each release -- see the release checklist in CONTRIBUTING.md.
+version: "0.1.0"
+date-released: "2026-08-12"
+license: MIT
+repository-code: "https://github.com/willwerj/gliquid_python"
+url: "https://viz.whsunresearch.group/gliquid/interactive-matrix.html"
+authors:
+  - given-names: Joshua
+    family-names: Willwerth
+    email: willwerj@umich.edu
+    affiliation: "University of Michigan"
+  - given-names: Abrar
+    family-names: Rauf
+    email: arauf@umich.edu
+    affiliation: "University of Michigan"
+  - given-names: Shibo
+    family-names: Tan
+    email: shibot@umich.edu
+    affiliation: "University of Michigan"
+  - given-names: Wenhao
+    family-names: Sun
+    email: whsun@umich.edu
+    affiliation: "University of Michigan"
+keywords:
+  - "density functional theory"
+  - "thermodynamic modeling"
+  - "phase diagram"
+  - "liquidus"
+  - "solution phase"
+  - "intermetallic phase"
+  - "Materials Project"
+  - "Materials Platform for Data Science"

gliquid-0.1.0/CONTRIBUTING.md

@@ -0,0 +1,130 @@
+# Contributing to GLiquid
+
+Pull requests are welcome. For anything larger than a bug fix, please open an issue first so
+the change can be discussed before it is written.
+
+## Setup
+
+Work from a clone, in an isolated environment. The convention among the maintainers is a conda
+environment named `gliquidenv`:
+
+```bash
+git clone https://github.com/willwerj/gliquid_python.git
+cd gliquid_python
+conda create --name gliquidenv python=3.10   # 3.11, 3.12 and 3.13 are also supported
+conda activate gliquidenv
+pip install -e .[test]
+```
+
+`.[test]` adds `pytest` and `ruff` on top of the runtime dependencies. Add other extras as the
+work needs them — `.[editor]` for `ConvexHullEditor`, `.[mpds]` for live MPDS downloads,
+`.[notebook]` for local Jupyter, `.[models]` for the exact `scikit-learn`/`xgboost` versions the
+serialized model artifacts were pickled against.
+
+Working from a clone also means the data corpus resolves automatically: `gliquid.config` falls
+back to the checkout's own `data/` directory when neither `set_data_dir()` nor
+`GLIQUID_DATA_DIR` has been used. See the README for the full resolution order.
+
+## Running the tests
+
+Run `pytest` from the repository root. The suite is tiered, and which tier you get depends on
+what you pass:
+
+```bash
+pytest                        # the public tests/ suite -- the default, and what a contributor runs
+pytest tests_internal         # the maintainer tier: value pins, figure goldens, gated families
+pytest tests tests_internal   # everything; this is what CI runs
+```
+
+A bare `pytest` collects only `tests/` because `testpaths = ["tests"]` says so in
+`pyproject.toml`; `tests_internal/` is tracked in git but never collected implicitly, and it is
+excluded from the sdist.
+
+For the fast edit/run loop, deselect the slow fits:
+
+```bash
+pytest -m "not slow"
+```
+
+That is roughly a 2.7x speedup on the public suite — measured at 84.7 s against 225.7 s for the
+full run on a maintainer machine. It is a faster loop, not an instant one; run the full suite
+before you push.
+
+### Markers
+
+Four markers are declared, and `addopts = "--strict-markers"` means an undeclared or misspelled
+one fails the run instead of silently applying no marker at all.
+
+| marker | meaning |
+| --- | --- |
+| `pins` | A frozen-value characterization pin. It asserts that today's numbers equal the numbers captured when the pin was frozen. |
+| `needs_cache` | Needs the workspace `matrix_data/` store of per-system DFT and digitized-diagram caches. **Skips**, rather than fails, on a checkout without it. |
+| `needs_network` | Needs `NEW_MP_API_KEY` and a live Materials Project connection. |
+| `slow` | A multi-second Nelder–Mead fit or hull build. Deselect with `-m "not slow"`. |
+
+### Re-freezing a pin
+
+Every pin file's module docstring names the script that froze its fixture (the freezer scripts
+live with the maintainers' driver scripts, outside this repository). Re-freezing is a deliberate
+act: run that script, inspect the diff in the fixture JSON, and say in the commit message *why*
+the values moved.
+
+**Never edit a pin to make it pass.** A pin that changed is telling you the behavior changed. If
+that change was intended, re-freeze it through the freezer and justify it. If it was not, you
+have found the bug the pin exists to catch.
+
+## Formatting and linting
+
+`ruff` is the formatter, configured in `pyproject.toml` at `line-length = 100` — not the 88
+default, because this codebase already writes to roughly 95–100 characters and 88 would split
+calls that read fine today.
+
+```bash
+ruff format src/gliquid tests tests_internal   # before you push
+ruff format --check src/gliquid tests tests_internal
+ruff check src/gliquid                          # advisory for now, not yet a gate
+```
+
+Scattered `# noqa: WPS...` comments survive in the source. They are inherited from a retired
+wemake-python-styleguide configuration and **are enforced by nothing today** — no tool in the
+current setup reads them. Do not add new ones, and do not treat an existing one as evidence that
+some rule is still active.
+
+## The print/logging boundary
+
+The library reports through `logging` — one `logger = logging.getLogger(__name__)` per module,
+all children of the `gliquid` logger — and installs no handlers and sets no levels of its own.
+Handler and level configuration belongs to the application consuming the library, not to the
+library.
+
+Consequently, **a bare `print()` added anywhere in `src/gliquid` fails
+`tests/test_logging_boundary.py`.** So does a direct `sys.stdout.write` / `sys.stderr.write`, and
+so does any call to `basicConfig`, `addHandler`, `setLevel`, `StreamHandler`, `FileHandler` or
+`NullHandler` inside the package. The scan is over the source tree, not the import graph, so a
+`print()` on a branch no test happens to execute is still caught.
+
+There are exactly two documented exemptions, listed in `EXEMPT` in that test file:
+
+- `mpds.print_phase_mismatch_chart` — the function *is* a console chart renderer; the aligned
+  monospace rows are the product, not diagnostics.
+- `hull_editor._log` — writes into an `ipywidgets` `Output` pane. Widget UI, not logging.
+
+Adding a third exemption requires editing that test, which is the point. If your output is
+diagnostic, use the module logger.
+
+## Release checklist
+
+The distribution version is derived from the git tag by `hatch-vcs` — tagging is the release,
+and no version literal lives in `src/`. `tests/test_version.py` enforces that.
+
+1. **Bump `CITATION.cff` by hand.** Its `version:` and `date-released:` are literals and nothing
+   derives them; this is the one file that must be edited at every release.
+2. **Add the `CHANGELOG.md` entry.** Move what is under `## [Unreleased]` into a new
+   `## [X.Y.Z] - YYYY-MM-DD` section and update the link definitions at the bottom.
+3. **Commit** those two changes.
+4. **Tag** the commit `vX.Y.Z` (SemVer, `v` prefix) and **push the tag**.
+
+The release workflow does the rest — building the sdist and wheel from the tag and publishing
+them. Do not hand-edit a version anywhere else; if the built artifact reports `0.0.x`, the
+`hatch-vcs` fallback fired and the build did not see the tag. Investigate rather than
+overriding it.

gliquid-0.1.0/LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2025 Joshua Willwerth
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.