Switch to rattler-build recipe format

.github/workflows/build_workflow.yml

@@ -14,8 +14,7 @@ on:
 env:
   CANCEL_OTHERS: false
   PATHS_IGNORE: '["**/README.md", "**/docs/**"]'
-  # Static python version for setting up pre-commit linting
-  PYTHON_VERSION: "3.14"
+  PIXI_VERSION: "v0.63.0"
 
 jobs:
   pre-commit-hooks:
@@ -34,10 +33,14 @@ jobs:
         uses: actions/checkout@v6
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Set up Python ${{ env.PYTHON_VERSION }}
-        uses: actions/setup-python@v6
+        name: Set up Pixi
+        uses: prefix-dev/setup-pixi@v0.9.3
         with:
-          python-version: ${{ env.PYTHON_VERSION }}
+          pixi-version: ${{ env.PIXI_VERSION }}
+          environments: default
+          activate-environment: true
+          cache: true
+          locked: true
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
         id: file_changes
@@ -46,24 +49,61 @@ jobs:
           output: ' '
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        # Run all pre-commit hooks on all the files.
-        # Getting only staged files can be tricky in case a new PR is opened
-        # since the action is run on a branch in detached head state
-        name: Install and Run Pre-commit
-        uses: pre-commit/action@v3.0.1
+        name: Run Pre-commit
+        run: pre-commit run --file ${{ steps.file_changes.outputs.files}}
+
+  package:
+    name: build rattler recipe
+    runs-on: ubuntu-latest
+    timeout-minutes: 20
+    defaults:
+      run:
+        shell: bash -el {0}
+    steps:
+      - id: skip_check
+        uses: fkirc/skip-duplicate-actions@master
         with:
-          extra_args: --files ${{ steps.file_changes.outputs.files}}
+          cancel_others: ${{ env.CANCEL_OTHERS }}
+          paths_ignore: ${{ env.PATHS_IGNORE }}
+
+      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+        uses: actions/checkout@v6
+
+      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+        name: Set up Pixi
+        uses: prefix-dev/setup-pixi@v0.9.3
+        with:
+          pixi-version: ${{ env.PIXI_VERSION }}
+          environments: package
+          activate-environment: package
+          cache: true
+          locked: true
+
+      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
+        name: Build package with rattler-build
+        run: |
+          rattler-build build -r recipe/ -c conda-forge --output-dir rattler-build-output
 
   build:
     name: test geometric_features - python ${{ matrix.python-version }}
     runs-on: ubuntu-latest
     timeout-minutes: 20
     defaults:
       run:
-        shell: bash -l {0}
+        shell: bash -el {0}
     strategy:
       matrix:
-        python-version: ["3.10", "3.11", "3.12", "3.13", "3.14"]
+        include:
+          - python-version: "3.10"
+            environment: py310
+          - python-version: "3.11"
+            environment: py311
+          - python-version: "3.12"
+            environment: py312
+          - python-version: "3.13"
+            environment: py313
+          - python-version: "3.14"
+            environment: py314
       fail-fast: false
     steps:
       - id: skip_check
@@ -76,40 +116,19 @@ jobs:
         uses: actions/checkout@v6
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Cache Conda
-        uses: actions/cache@v5
-        env:
-          # Increase this value to reset cache if conda-dev-spec.template has not changed in the workflow
-          CACHE_NUMBER: 0
+        name: Set up Pixi
+        uses: prefix-dev/setup-pixi@v0.9.3
         with:
-          path: ~/conda_pkgs_dir_py${{ matrix.python-version }}
-          key:
-            ${{ runner.os }}-${{ matrix.python-version }}-conda-${{ env.CACHE_NUMBER }}-${{
-            hashFiles('dev-spec.txt,pyproject.toml') }}
-
-      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Set up Conda Environment
-        uses: mamba-org/setup-micromamba@v3
-        with:
-          environment-name: geometric_features_dev
-          init-shell: bash
-          condarc: |
-            channel_priority: strict
-            channels:
-                - conda-forge
-          create-args: >-
-            python=${{ matrix.python-version }}
-
-      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Install geometric_features
-        run: |
-          conda install -y --file dev-spec.txt python=${{ matrix.python-version }}
-          python -m pip install --no-deps --no-build-isolation -vv -e .
+          pixi-version: ${{ env.PIXI_VERSION }}
+          environments: ${{ matrix.environment }}
+          activate-environment: ${{ matrix.environment }}
+          cache: true
+          locked: true
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
         name: Run Tests
         env:
-           CHECK_IMAGES: False
+          CHECK_IMAGES: False
         run: |
           set -e
           pip check
@@ -129,4 +148,3 @@ jobs:
         run: |
           cd docs
           DOCS_VERSION=test make versioned-html
-

.github/workflows/docs_workflow.yml

@@ -9,50 +9,29 @@ on:
     types: [published]
 
 env:
-  PYTHON_VERSION: "3.14"
+  PIXI_VERSION: "v0.63.0"
 
 jobs:
   publish-docs:
     runs-on: ubuntu-latest
     defaults:
       run:
-        shell: bash -l {0}
+        shell: bash -el {0}
     timeout-minutes: 20
     steps:
       - uses: actions/checkout@v6
         with:
           persist-credentials: false
           fetch-depth: 0
 
-      - name: Cache Conda
-        uses: actions/cache@v5
-        env:
-          # Increase this value to reset cache if deploy/conda-dev-spec.template has not changed in the workflow
-          CACHE_NUMBER: 0
+      - name: Set up Pixi
+        uses: prefix-dev/setup-pixi@v0.9.3
         with:
-          path: ~/conda_pkgs_dir
-          key: ${{ runner.os }}-conda-${{ env.CACHE_NUMBER }}-${{
-            hashFiles('dev-spec.txt') }}
-
-      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Set up Conda Environment
-        uses: mamba-org/setup-micromamba@v3
-        with:
-          environment-name: pyremap_dev
-          init-shell: bash
-          condarc: |
-            channel_priority: strict
-            channels:
-                - conda-forge
-          create-args: >-
-            python=${{ env.PYTHON_VERSION }}
-
-      - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Install geometric_features
-        run: |
-          git config --global url."https://github.com/".insteadOf "git@github.com:"
-          conda install -y --file dev-spec.txt python=${{ env.PYTHON_VERSION }}
-          python -m pip install -vv --no-deps --no-build-isolation -e .
+          pixi-version: ${{ env.PIXI_VERSION }}
+          environments: default
+          activate-environment: true
+          cache: true
+          locked: true
 
       - name: Build Sphinx Docs
         run: |
@@ -92,4 +71,3 @@ jobs:
           directory: docs/gh-pages
           github_token: ${{ secrets.GITHUB_TOKEN }}
           force: true
-

.gitignore

@@ -94,3 +94,5 @@ ENV/
 .DS_Store
 
 .idea
+.pixi/
+rattler-build-output/

MANIFEST.in

@@ -0,0 +1,2 @@
+include geometric_features/features_and_tags.json
+recursive-include geometric_data *.geojson

README.md

@@ -27,14 +27,23 @@ conda create -n geometric_features -c conda-forge python=3.13 geometric_features
 conda activate geometric_features
 ```
 
-To develop `geometric_features` (e.g. to add new features), create and activate
- an environment with all of the required dependencies:
+To develop `geometric_features` (e.g. to add new features), install the
+default pixi environment:
 ```bash
-conda create -y -n mpas_dev --file dev-spec.txt
-conda activate mpas_dev
-python -m pip install --no-deps --no-build-isolation -e .
+pixi install
 ```
 
+If you want a different Python version, choose one of the versioned pixi
+environments:
+```bash
+pixi install -e py310
+```
+
+The development environment in `pixi.toml` is equivalent to the legacy
+`dev-spec.txt`, with the local package installed in editable mode and an
+additional `package` environment for
+`rattler-build`.
+
 A typical workflow will look like:
 * Create a `GeometricFeatures` object and point it to a location where you have
   stored (or would like to store) geometry data.

ci/python3.10.yaml

@@ -1,5 +1,5 @@
 channel_sources:
-- conda-forge,defaults
+- conda-forge
 pin_run_as_build:
   python:
     min_pin: x.x

ci/python3.11.yaml

@@ -1,5 +1,5 @@
 channel_sources:
-- conda-forge,defaults
+- conda-forge
 pin_run_as_build:
   python:
     min_pin: x.x

ci/python3.12.yaml

@@ -1,5 +1,5 @@
 channel_sources:
-- conda-forge,defaults
+- conda-forge
 pin_run_as_build:
   python:
     min_pin: x.x

ci/python3.13.yaml

@@ -1,5 +1,5 @@
 channel_sources:
-- conda-forge,defaults
+- conda-forge
 pin_run_as_build:
   python:
     min_pin: x.x

ci/python3.14.yaml

@@ -1,5 +1,5 @@
 channel_sources:
-- conda-forge,defaults
+- conda-forge
 pin_run_as_build:
   python:
     min_pin: x.x

docs/releasing.rst

@@ -15,7 +15,7 @@ Version Bump and Dependency Updates
    - Manually update the version number in the following files:
 
      - ``geometric_features/version.py``
-     - ``recipe/meta.yaml``
+     - ``recipe/recipe.yaml``
 
    - Make sure the version follows `semantic versioning <https://semver.org/>`_.
      For release candidates, use versions like ``1.6.2rc1``.
@@ -25,11 +25,11 @@ Version Bump and Dependency Updates
    - Ensure that dependencies and their constraints are up-to-date and
      consistent in:
 
-     - ``recipe/meta.yaml`` (for the conda-forge release)
+     - ``recipe/recipe.yaml`` (for the rattler-build recipe)
 
      - ``pyproject.toml`` (for PyPI; used for sanity checks)
 
-     - ``dev-spec.txt`` (development dependencies; should be a superset)
+     - ``pixi.toml`` (development dependencies; should be a superset)
 
    - Use the GitHub "Compare" feature to check for dependency changes between
      releases:

geometric_features/geometric_features.py

@@ -1,5 +1,6 @@
 import json
 import os
+import sys
 from importlib.resources import files as imp_res_files
 
 from geometric_features.download import download_files
@@ -359,4 +360,8 @@ def _get_default_cache_location():
     if os.path.isdir(repo_cache):
         return repo_cache
 
+    prefix_cache = os.path.join(sys.prefix, 'share', 'geometric_data')
+    if os.path.isdir(prefix_cache):
+        return prefix_cache
+
     return './geometric_data'

geometric_features/version.py

@@ -1,2 +1,2 @@
-__version_info__ = (1, 6, 2)
+__version_info__ = (1, 6, 3)
 __version__ = '.'.join(str(vi) for vi in __version_info__)