start package publishing workflow

.github/dependabot.yml

@@ -8,8 +8,7 @@ updates:
   - package-ecosystem: pip
     directory: "/"
     schedule:
-      interval: daily
-      time: "10:00"
+      interval: weekly
     allow:
       - dependency-type: direct
       - dependency-type: indirect

.github/workflows/publish.yml

@@ -0,0 +1,136 @@
+---
+name: Publish Python 🐍 distribution 📦 to PyPI and TestPyPI
+
+# yamllint disable-line rule:truthy
+on:
+  push:
+    # Attempt to run on all pushes.
+    # branches:
+    #   - main
+    # tags:
+    #   - v*
+
+# For now always take the "reduced" form of the version, even for those
+# actions runs that do not push to a package index.
+env:
+  VERSIONINGIT_FOR_PACKAGE_INDEX: true
+
+jobs:
+  build:
+    name: Build distribution 📦
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          # so versioningit can figure out the version
+          fetch-depth: 0
+          fetch-tags: true
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: "3.x"
+      - name: Install pypa/build
+        run: |
+          python3 -m pip install -U pip setuptools
+          python3 -m pip install build
+      - name: Build a binary wheel and a source tarball
+        run: python3 -m build
+      - name: Store the distribution packages
+        uses: actions/upload-artifact@v3
+        with:
+          name: python-package-distributions
+          path: dist/
+
+  # publish-to-pypi:
+  #   name: >-
+  #     Publish Python 🐍 distribution 📦 to PyPI
+  #   # only publish to PyPI on tag pushes
+  #   if: startsWith(github.ref, 'refs/tags/v')
+  #   needs:
+  #     - build
+  #   runs-on: ubuntu-latest
+  #   environment:
+  #     name: pypi
+  #     url: https://pypi.org/p/pyresponse
+  #   permissions:
+  #     id-token: write  # IMPORTANT: mandatory for trusted publishing
+
+  #   steps:
+  #     - name: Download all the dists
+  #       uses: actions/download-artifact@v3
+  #       with:
+  #         name: python-package-distributions
+  #         path: dist/
+  #     - name: Publish distribution 📦 to PyPI
+  #       uses: pypa/gh-action-pypi-publish@release/v1
+
+  # github-release:
+  #   name: >-
+  #     Sign the Python 🐍 distribution 📦 with Sigstore
+  #     and upload them to GitHub Release
+  #   needs:
+  #     - publish-to-pypi
+  #   runs-on: ubuntu-latest
+
+  #   permissions:
+  #     contents: write  # IMPORTANT: mandatory for making GitHub Releases
+  #     id-token: write  # IMPORTANT: mandatory for sigstore
+
+  #   steps:
+  #     - name: Download all the dists
+  #       uses: actions/download-artifact@v3
+  #       with:
+  #         name: python-package-distributions
+  #         path: dist/
+  #     - name: Sign the dists with Sigstore
+  #       uses: sigstore/gh-action-sigstore-python@v1.2.3
+  #       with:
+  #         inputs: >-
+  #           ./dist/*.tar.gz
+  #           ./dist/*.whl
+  #     - name: Create GitHub Release
+  #       env:
+  #         GITHUB_TOKEN: ${{ github.token }}
+  #       run: >-
+  #         gh release create
+  #         '${{ github.ref_name }}'
+  #         --repo '${{ github.repository }}'
+  #         --notes ""
+  #     - name: Upload artifact signatures to GitHub Release
+  #       env:
+  #         GITHUB_TOKEN: ${{ github.token }}
+  #       # Upload to GitHub Release using the `gh` CLI.
+  #       # `dist/` contains the built packages, and the
+  #       # sigstore-produced signatures and certificates.
+  #       run: >-
+  #         gh release upload
+  #         '${{ github.ref_name }}' dist/**
+  #         --repo '${{ github.repository }}'
+
+  publish-to-testpypi:
+    name: Publish Python 🐍 distribution 📦 to TestPyPI
+    needs:
+      - build
+    runs-on: ubuntu-latest
+
+    # publish on merge to default branch or any tag
+    if: github.ref == 'refs/heads/main' || startsWith(github.ref, 'refs/tags/')
+
+    environment:
+      name: testpypi
+      url: https://test.pypi.org/p/pyresponse
+
+    permissions:
+      id-token: write  # IMPORTANT: mandatory for trusted publishing
+
+    steps:
+      - name: Download all the dists
+        uses: actions/download-artifact@v3
+        with:
+          name: python-package-distributions
+          path: dist/
+      - name: Publish distribution 📦 to TestPyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/

.github/workflows/test.yml

@@ -4,13 +4,6 @@ name: test
 # yamllint disable-line rule:truthy
 on:
   push:
-    branches:
-      - "master"
-      - "main"
-  pull_request:
-    branches:
-      - "master"
-      - "main"
 
 jobs:
   test:
@@ -24,6 +17,10 @@ jobs:
         shell: "bash -l {0}"
     steps:
       - uses: actions/checkout@v4
+        with:
+          # so versioningit can figure out the version
+          fetch-depth: 0
+          fetch-tags: true
       - name: Set up Python ${{ matrix.python-version }} with conda
         uses: conda-incubator/setup-miniconda@v3
         with:
@@ -36,6 +33,8 @@ jobs:
           show-channel-urls: true
       - name: Print Python environment
         run: python -m pip list
+      - name: Update installation infrastructure
+        run: python -m pip install -U setuptools pip
       - name: Print conda environment
         run: conda list
       - name: Print conda info

.gitignore

@@ -181,3 +181,5 @@ cython_debug/
 #  and can be added to the global gitignore or merged into this file.  For a more nuclear
 #  option (not recommended) you can uncomment the following to ignore the entire idea folder.
 #.idea/
+
+_version.py

pyproject.toml

@@ -94,13 +94,11 @@ section-order = ["future", "standard-library", "attrs", "third-party", "chemistr
 "attrs" = ["attr"]
 "chemistry" = ["psi4", "pyscf"]
 
-[tool.versioningit]
-default-version = "1+unknown"
-
 [tool.versioningit.format]
-distance = "{base_version}+{distance}.{vcs}{rev}"
-dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"
-distance-dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"
+method = { module = "versioningit_override", value = "my_format", module-dir = "pyresponse" }
+
+[tool.versioningit.template-fields.version-tuple]
+pep440 = true
 
 [tool.versioningit.vcs]
 method = "git"

pyresponse/versioningit_override.py

@@ -0,0 +1,35 @@
+from os import getenv
+from typing import Any, Dict
+
+from versioningit import VCSDescription
+from versioningit.basics import DEFAULT_FORMATS
+
+_ENVVARNAME = "VERSIONINGIT_FOR_PACKAGE_INDEX"
+
+
+def my_format(
+    *, description: VCSDescription, base_version: str, next_version: str, params: Dict[str, Any]
+) -> str:
+    state = description.state
+    assert state in {"distance", "dirty", "distance-dirty"}
+
+    if getenv(_ENVVARNAME, "False").lower() in ("true", "1", "t"):
+        fmt_distance = "{base_version}.post{distance}"
+        if state != "distance":
+            raise RuntimeError("dirty state doesn't make sense when building for a package index")
+    else:
+        # Default but missing {vcs} before {rev}
+        fmt_distance = "{base_version}.post{distance}+{rev}"
+        # Default
+        fmt_dirty = DEFAULT_FORMATS["dirty"]
+        # Default but missing {vcs} before {rev}
+        fmt_distance_dirty = "{base_version}.post{distance}+{rev}.d{build_date:%Y%m%d}"
+
+    if state == "distance":
+        fmt = fmt_distance
+    elif state == "dirty":
+        fmt = fmt_dirty
+    elif state == "distance-dirty":
+        fmt = fmt_distance_dirty
+
+    return fmt.format_map({**description.fields, "base_version": base_version})