Prepare 1.1.1 release

.github/workflows/publish.yml

@@ -0,0 +1,37 @@
+name: Publish release to PyPI
+
+on:
+  release:
+    types: [published]
+
+permissions:
+  contents: read
+
+jobs:
+  publish:
+    name: Build and publish
+    runs-on: ubuntu-latest
+    environment: pypi
+    permissions:
+      contents: read
+      id-token: write
+
+    steps:
+      - uses: actions/checkout@v6.0.2
+
+      - uses: astral-sh/setup-uv@v8.1.0
+
+      - name: Install Python
+        run: uv python install 3.13
+
+      - name: Build distributions
+        run: uv build --no-sources
+
+      - name: Smoke test wheel
+        run: uv run --isolated --no-project --with dist/*.whl stericrender --help
+
+      - name: Smoke test source distribution
+        run: uv run --isolated --no-project --with dist/*.tar.gz stericrender --help
+
+      - name: Publish to PyPI
+        run: uv publish

CITATION.cff

@@ -6,7 +6,9 @@ authors:
   - given-names: James
     family-names: "O'Brien"
     affiliation: "Department of Chemistry, The University of Manchester"
-version: "1.1.0"
+version: "1.1.1"
+doi: "10.5281/zenodo.21475425"
+date-released: 2026-07-21
 repository-code: "https://github.com/JamesOBrien2/StericRender"
 url: "https://github.com/JamesOBrien2/StericRender"
 license: MIT

README.md

@@ -12,7 +12,7 @@ StericRender computes topographic steric maps and buried volume (%V*Bur*) for an
 [![Typing: ty](https://img.shields.io/badge/typing-ty-EFC621.svg)](https://github.com/astral-sh/ty)
 [![CI](https://github.com/JamesOBrien2/StericRender/actions/workflows/ci.yml/badge.svg?branch=main)](https://github.com/JamesOBrien2/StericRender/actions/workflows/ci.yml)
 [![Codecov](https://codecov.io/gh/JamesOBrien2/StericRender/branch/main/graph/badge.svg)](https://codecov.io/gh/JamesOBrien2/StericRender)
-[![DOI](https://zenodo.org/badge/1225515679.svg)](https://doi.org/10.5281/zenodo.21475425)
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.21475425.svg)](https://doi.org/10.5281/zenodo.21475425)
 
 ![zoomed out overlay](examples/images/controls/zoom_overlay.svg)
 
@@ -143,16 +143,18 @@ steric_map = compute_steric_map(oriented.positions[selected], radii)
 
 ## Citation
 
-If you use StericRender in published research, cite the software version used:
+If you use StericRender in published research, cite the software version used.
+To cite the project as a whole:
 
 > James O'Brien, *StericRender: Topographic Steric Mapping with Molecular
-> Visualisation*, version 1.1.0, computer software, Zenodo, 2026,
-> https://doi.org/10.5281/zenodo.21474975
+> Visualisation*, computer software, Zenodo, 2026,
+> https://doi.org/10.5281/zenodo.21475425
 
 Machine-readable citation metadata is available in [`CITATION.cff`](CITATION.cff).
 GitHub also provides APA and BibTeX entries through the **Cite this repository**
-menu. Cite the version-specific Zenodo DOI so that the exact software used can
-be recovered.
+menu. The DOI above represents all StericRender versions and always resolves to
+the latest release. For reproducibility, use the version-specific DOI shown on
+the relevant Zenodo release page.
 
 Please also cite the methodological works on which StericRender builds:
 

pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
 
 [project]
 name = "stericrender"
-version = "1.1.0"
+version = "1.1.1"
 description = "Topographic steric maps and buried volume (%VBur) with publication-quality SVG output."
 authors = [
   { name = "James O'Brien" },
@@ -20,6 +20,7 @@ dependencies = [
 [project.urls]
 Homepage = "https://github.com/JamesOBrien2/StericRender"
 Repository = "https://github.com/JamesOBrien2/StericRender"
+DOI = "https://doi.org/10.5281/zenodo.21475425"
 
 [project.optional-dependencies]
 test = [