Publish cp2k-lsp-enhanced 0.1.0

.github/workflows/deploy.yml

@@ -1,18 +1,28 @@
-name: deploy
+name: Publish to PyPI
 
 on:
   push:
     tags:
-    - 'v*'
+      - "v*"
+  workflow_dispatch:
 
 jobs:
-  deploy:
+  publish:
+    if: startsWith(github.ref, 'refs/tags/v')
     runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/cp2k-lsp-enhanced
+    permissions:
+      contents: read
+      id-token: write
     steps:
-    - uses: actions/checkout@v4
-    - uses: actions/setup-python@v5
-      with:
-        python-version: '3.12'
-    - uses: snok/install-poetry@v1.3.4
-    - run: poetry config pypi-token.pypi ${{ secrets.PYPI_TOKEN }}
-    - run: poetry publish --build
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+      - uses: snok/install-poetry@v1.3.4
+      - name: Build distribution
+        run: poetry build
+      - name: Publish distribution
+        uses: pypa/gh-action-pypi-publish@cef221092ed1bacb1cc03d23a2d87d1d172e277b # release/v1

CHANGELOG.md

@@ -1,5 +1,13 @@
 # Change Log
 
+## [0.1.0] - 2026-07-16
+
+- Publish the enhanced OpenQC CP2K language server under the independent
+  `cp2k-lsp-enhanced` distribution identity.
+- Preserve the `cp2k-language-server` compatibility command and upstream
+  Python import namespace.
+- Replace token-based deployment with PyPI trusted publishing through the
+  protected `pypi` environment.
 
 ## [0.9.2] - 2026-02-xy
 

README.md

@@ -1,6 +1,11 @@
-# cp2k-input-tools
+# cp2k-lsp-enhanced
 
-[![Build status](https://github.com/cp2k/cp2k-input-tools/actions/workflows/test.yml/badge.svg)](https://github.com/cp2k/cp2k-input-tools/actions) [![codecov](https://codecov.io/gh/cp2k/cp2k-input-tools/branch/develop/graph/badge.svg)](https://codecov.io/gh/cp2k/cp2k-input-tools) [![PyPI](https://img.shields.io/pypi/pyversions/cp2k-input-tools)](https://pypi.org/project/cp2k-input-tools/)
+[![Build status](https://github.com/newtontech/cp2k-lsp-enhanced/actions/workflows/test.yml/badge.svg)](https://github.com/newtontech/cp2k-lsp-enhanced/actions) [![PyPI](https://img.shields.io/pypi/pyversions/cp2k-lsp-enhanced)](https://pypi.org/project/cp2k-lsp-enhanced/)
+
+This Newton Technology distribution extends the upstream
+`cp2k-input-tools` project with the OpenQC language-server, agent CLI, and
+traceability contract. The Python import namespace and the
+`cp2k-language-server` command remain compatible with the upstream project.
 
 Fully validating pure-python CP2K input file parsers including preprocessing capabilities
 
@@ -54,19 +59,19 @@ When changing CP2K language-server behavior, parser validation, command names, f
 You will get most tools using simply:
 
 ```console
-$ pip install cp2k-input-tools
+$ pip install cp2k-lsp-enhanced
 ```
 
 For YAML support you should use
 
 ```console
-$ pip install cp2k-input-tools[yaml]
+$ pip install cp2k-lsp-enhanced[yaml]
 ```
 
 and for the Language Server:
 
 ```console
-$ pip install cp2k-input-tools[lsp]
+$ pip install cp2k-lsp-enhanced[lsp]
 ```
 
 ## Command Line Interface

cp2k_input_tools/__init__.py

@@ -1,5 +1,5 @@
 import pathlib
 
-__version__ = "0.9.1"
+__version__ = "0.1.0"
 
 DEFAULT_CP2K_INPUT_XML = pathlib.Path(__file__).resolve().parent.joinpath("cp2k_input.xml")

cp2k_input_tools/cli/lsp.py

@@ -3,10 +3,10 @@
 
 import click
 
-LSP_EXTRA_ERROR = """Could not import the pygls package. You have to install the cp2k-input-tools with the 'lsp' extra:
+LSP_EXTRA_ERROR = """Could not import the pygls package. Install cp2k-lsp-enhanced with the 'lsp' extra:
 
-pip install cp2k-input-tools[lsp]
-    """
+pip install cp2k-lsp-enhanced[lsp]
+"""
 
 
 @click.command()

pyproject.toml

@@ -1,9 +1,12 @@
 [tool.poetry]
-name = "cp2k-input-tools"
-version = "0.9.1"
-description = "Python tools to handle CP2K input files"
-authors = ["Tiziano Müller <tiziano.mueller@chem.uzh.ch>"]
-repository = "https://github.com/cp2k/cp2k-input-tools"
+name = "cp2k-lsp-enhanced"
+version = "0.1.0"
+description = "Enhanced CP2K language server and input tooling for OpenQC"
+authors = [
+    "Newton Technology",
+    "Tiziano Müller <tiziano.mueller@chem.uzh.ch>",
+]
+repository = "https://github.com/newtontech/cp2k-lsp-enhanced"
 license = "MIT"
 classifiers = [
     "Development Status :: 4 - Beta",

tests/test_release_contract.py

@@ -0,0 +1,30 @@
+from __future__ import annotations
+
+from pathlib import Path
+
+try:
+    import tomllib
+except ModuleNotFoundError:  # pragma: no cover - Python 3.10 compatibility
+    import tomli as tomllib
+
+ROOT = Path(__file__).resolve().parents[1]
+
+
+def test_newtontech_distribution_identity_and_compatibility_command() -> None:
+    metadata = tomllib.loads((ROOT / "pyproject.toml").read_text(encoding="utf-8"))
+    poetry = metadata["tool"]["poetry"]
+
+    assert poetry["name"] == "cp2k-lsp-enhanced"
+    assert poetry["version"] == "0.1.0"
+    assert poetry["repository"] == "https://github.com/newtontech/cp2k-lsp-enhanced"
+    assert poetry["scripts"]["cp2k-language-server"] == ("cp2k_input_tools.cli.lsp:cp2k_language_server")
+    assert poetry["scripts"]["cp2k-lsp-tool"] == "cp2k_input_tools.tool:main"
+
+
+def test_pypi_release_uses_oidc_and_protected_environment() -> None:
+    workflow = (ROOT / ".github" / "workflows" / "deploy.yml").read_text(encoding="utf-8")
+
+    assert "name: pypi" in workflow
+    assert "id-token: write" in workflow
+    assert "PYPI_TOKEN" not in workflow
+    assert "pypa/gh-action-pypi-publish@" in workflow