build: prepare pykore 0.2.1 for pypi

- complete PyPI metadata and README_PYPI.md
- add manylinux/TestPyPI/PyPI publish workflow
- add self-contained TestPyPI install smoke script
- expose pykore.__version__ for installed package verification

Author: edengilbertus

.github/workflows/publish-pypi.yml

@@ -0,0 +1,84 @@
+name: Publish PyPI
+
+on:
+  workflow_dispatch:
+    inputs:
+      repository:
+        description: Target repository
+        required: true
+        default: testpypi
+        type: choice
+        options:
+          - testpypi
+          - pypi
+      confirm_testpypi_verified:
+        description: Confirm TestPyPI install verification was completed before publishing to PyPI
+        required: false
+        default: false
+        type: boolean
+
+permissions:
+  contents: read
+
+jobs:
+  build-wheels:
+    name: Build manylinux wheels
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        target: [x86_64, aarch64]
+    steps:
+      - uses: actions/checkout@v5
+      - uses: PyO3/maturin-action@v1
+        with:
+          target: ${{ matrix.target }}
+          manylinux: auto
+          args: --release --out dist
+      - uses: actions/upload-artifact@v4
+        with:
+          name: wheels-${{ matrix.target }}
+          path: dist
+
+  build-sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v5
+      - uses: PyO3/maturin-action@v1
+        with:
+          command: sdist
+          args: --out dist
+      - uses: actions/upload-artifact@v4
+        with:
+          name: sdist
+          path: dist
+
+  publish-testpypi:
+    name: Upload to TestPyPI
+    runs-on: ubuntu-latest
+    needs: [build-wheels, build-sdist]
+    if: ${{ github.event.inputs.repository == 'testpypi' && secrets.TEST_PYPI_API_TOKEN != '' }}
+    steps:
+      - uses: actions/download-artifact@v4
+        with:
+          path: dist
+          merge-multiple: true
+      - uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/
+          password: ${{ secrets.TEST_PYPI_API_TOKEN }}
+
+  publish-pypi:
+    name: Upload to PyPI
+    runs-on: ubuntu-latest
+    needs: [build-wheels, build-sdist]
+    if: ${{ github.event.inputs.repository == 'pypi' && github.event.inputs.confirm_testpypi_verified == 'true' && secrets.PYPI_API_TOKEN != '' }}
+    steps:
+      - uses: actions/download-artifact@v4
+        with:
+          path: dist
+          merge-multiple: true
+      - uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          password: ${{ secrets.PYPI_API_TOKEN }}

Cargo.toml

@@ -1,6 +1,6 @@
 [package]
 name = "kore"
-version = "0.1.0"
+version = "0.2.1"
 edition = "2024"
 description = "Portable FFT-based Schrodinger-Poisson pseudospectral kernel"
 license = "MIT OR Apache-2.0"

LICENSE-APACHE

@@ -0,0 +1,103 @@
+Apache License
+Version 2.0, January 2004
+http://www.apache.org/licenses/
+
+TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION
+
+1. Definitions.
+
+"License" shall mean the terms and conditions for use, reproduction, and
+distribution as defined by Sections 1 through 9 of this document.
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+
+"Legal Entity" shall mean the union of the acting entity and all other
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+whether by contract or otherwise, or (ii) ownership of fifty percent (50%) or
+more of the outstanding shares, or (iii) beneficial ownership of such entity.
+
+"You" (or "Your") shall mean an individual or Legal Entity exercising
+permissions granted by this License.
+
+"Source" form shall mean the preferred form for making modifications,
+including but not limited to software source code, documentation source, and
+configuration files.
+
+"Object" form shall mean any form resulting from mechanical transformation or
+translation of a Source form, including but not limited to compiled object
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+
+"Work" shall mean the work of authorship, whether in Source or Object form,
+made available under the License, as indicated by a copyright notice that is
+included in or attached to the work.
+
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+2. Grant of Copyright License. Subject to the terms and conditions of this
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+   (d) If the Work includes a "NOTICE" text file as part of its distribution,
+       then any Derivative Works that You distribute must include a readable
+       copy of the attribution notices contained within such NOTICE file.
+
+5. Submission of Contributions. Unless You explicitly state otherwise, any
+Contribution intentionally submitted for inclusion in the Work by You to the
+Licensor shall be under the terms and conditions of this License.
+
+6. Trademarks. This License does not grant permission to use the trade names,
+trademarks, service marks, or product names of the Licensor.
+
+7. Disclaimer of Warranty. Unless required by applicable law or agreed to in
+writing, Licensor provides the Work on an "AS IS" BASIS, WITHOUT WARRANTIES OR
+CONDITIONS OF ANY KIND, either express or implied.
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+8. Limitation of Liability. In no event and under no legal theory, whether in
+tort (including negligence), contract, or otherwise, unless required by
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+
+END OF TERMS AND CONDITIONS

LICENSE-MIT

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2026 Edengilbert
+
+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.

README_PYPI.md

@@ -0,0 +1,25 @@
+# pykore
+
+pykore provides Python bindings for kore, a portable Schrödinger-Poisson pseudo-spectral kernel written in Rust.
+
+## Install
+
+```bash
+pip install pykore
+```
+
+## Quick start
+
+```python
+import numpy as np
+import pykore
+
+grid = pykore.Grid((64, 64, 64), (1.0, 1.0, 1.0))
+config = pykore.Config(dt=0.01, poisson_scale=1.0)
+state = pykore.State(np.zeros((64, 64, 64), dtype=np.complex128))
+kernel = pykore.Kernel(grid, config)
+print(kernel.diagnostics(state))
+```
+
+Paper: https://arxiv.org/abs/1807.04037
+Repository: https://github.com/edengilbertus/kore

pyproject.toml

@@ -4,7 +4,28 @@ build-backend = "maturin"
 
 [project]
 name = "pykore"
-dynamic = ["version"]
+version = "0.2.1"
+description = "Portable FFT-based Schrodinger-Poisson pseudospectral kernel"
+readme = "README_PYPI.md"
+license = { text = "MIT OR Apache-2.0" }
+requires-python = ">=3.11"
+keywords = ["physics", "simulation", "fft", "dark-matter", "hpc"]
+classifiers = [
+    "Development Status :: 3 - Alpha",
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: Apache Software License",
+    "License :: OSI Approved :: MIT License",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3 :: Only",
+    "Programming Language :: Rust",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Physics",
+]
+dependencies = ["numpy>=1.21"]
+
+[project.urls]
+Repository = "https://github.com/edengilbertus/kore"
+Paper = "https://arxiv.org/abs/1807.04037"
 
 [tool.maturin]
 python-source = "python"

python/pykore/__init__.py

@@ -1,4 +1,5 @@
 from importlib import import_module
+from importlib.metadata import version as _package_version
 
 __all__ = [
     "Grid",
@@ -9,6 +10,8 @@
     "DiagnosticsSummary",
 ]
 
+__version__ = _package_version("pykore")
+
 
 def __getattr__(name: str):
     if name not in __all__:

scripts/test_testpypi_install.sh

@@ -0,0 +1,35 @@
+#!/usr/bin/env bash
+
+set -euo pipefail
+
+SCRIPT_DIR="$(cd -- "$(dirname -- "${BASH_SOURCE[0]}")" && pwd)"
+REPO_ROOT="$(cd -- "$SCRIPT_DIR/.." && pwd)"
+
+PYTHON_BIN="${PYTHON_BIN:-python3}"
+PYKORE_VERSION="${PYKORE_VERSION:-$(REPO_ROOT="$REPO_ROOT" $PYTHON_BIN - <<'PY'
+from pathlib import Path
+import tomllib
+import os
+
+data = tomllib.loads(Path(os.environ['REPO_ROOT'], 'pyproject.toml').read_text())
+print(data['project']['version'])
+PY
+)}"
+PACKAGE_SPEC="pykore==${PYKORE_VERSION}"
+VENV_DIR="$(mktemp -d "${TMPDIR:-/tmp}/pykore-testpypi.XXXXXX")"
+
+trap 'rm -rf "$VENV_DIR"' EXIT
+
+"$PYTHON_BIN" -m venv "$VENV_DIR"
+"$VENV_DIR/bin/pip" install \
+  --index-url https://test.pypi.org/simple/ \
+  --extra-index-url https://pypi.org/simple/ \
+  "$PACKAGE_SPEC"
+
+"$VENV_DIR/bin/python" -c "import pykore; print(pykore.__version__)"
+"$VENV_DIR/bin/python" - <<'PY'
+import pykore
+
+grid = pykore.Grid((2, 2, 2), (1.0, 1.0, 1.0))
+print(type(grid).__name__)
+PY