44 feature include as a conda and pypi package

.github/workflows/release.yaml

@@ -30,6 +30,13 @@ jobs:
       with:
         fetch-depth: 0
 
+    - name: Get latest release from pip
+      id: latestreleased
+      run: |
+        PREVIOUS_VERSION=$(python -m pip index versions biosim-schema | grep "biosim-schema" | cut -d "(" -f2 | cut -d ")" -f1)
+        echo "pip_tag=$PREVIOUS_VERSION" >> "$GITHUB_OUTPUT"
+        echo $PREVIOUS_VERSION
+
     - name: Ensure version is greater than latest git tag
       run: |
         NEW_VERSION="${{ github.event.inputs.version }}"
@@ -226,3 +233,84 @@ jobs:
             --data-urlencode "to=announcements" \
             --data-urlencode "topic=software releases" \
             --data-urlencode "content=${CONTENT}"
+
+  pypi:
+    name: make pypi release
+    needs: [tag, release]
+    runs-on: ubuntu-24.04
+    steps:
+
+    - name: checkout
+      uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1
+      with:
+        ref: main
+
+    - name: Set up Python
+      uses: actions/setup-python@5fda3b95a4ea91299a34e894583c3862153e4b97 # v7.0.0
+      with:
+        python-version: 3.14.7
+
+    - name: Install flit
+      run: |
+        python -m pip install --upgrade pip
+        python -m pip install "flit>=4,<5"
+
+    - name: Build and publish
+      run: |
+        flit publish
+      env:
+        FLIT_USERNAME: __token__
+        FLIT_PASSWORD:  ${{ secrets.PYPI_API_TOKEN }}
+
+  conda:
+    name: publish conda to anaconda.org
+    needs: [tag, release]
+    runs-on: ubuntu-24.04
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1
+        with:
+          ref: main
+
+      - name: Set version in conda recipe
+        run: |
+          sed -i "s/^{% set version = \".*\" %}$/{% set version = \"${{ github.event.inputs.version }}\" %}/" conda-recipe/meta.yaml
+          grep '{% set version' conda-recipe/meta.yaml
+
+      - name: Setup Conda (conda-forge only)
+        uses: conda-incubator/setup-miniconda@8ee1f361103df19b6f8c8655fd3967a8ecb162d5 # v4.0.1
+        with:
+          miniforge-variant: Miniforge3
+          python-version: "3.14.7"
+          auto-activate: true
+          activate-environment: base
+          conda-remove-defaults: true
+          channels: conda-forge
+          channel-priority: strict
+
+      - name: Install build tools
+        shell: bash -l {0}
+        run: |
+          conda install -y conda-build anaconda-client
+          conda config --set anaconda_upload no
+          conda list conda-build
+          conda build --help
+
+      - name: Build package
+        shell: bash -l {0}
+        env:
+          PIP_NO_INDEX: "0"
+        run: |
+          PKG_PATH=$(conda build conda-recipe --output)
+          echo "PKG_PATH=$PKG_PATH" >> "$GITHUB_ENV"
+          conda build conda-recipe
+          test -f "$PKG_PATH"
+          echo "Built: $PKG_PATH"
+
+      - name: Upload to Anaconda
+        shell: bash -l {0}
+        env:
+          ANACONDA_API_TOKEN: ${{ secrets.ANACONDA_TOKEN }}
+        run: |
+          anaconda -t "$ANACONDA_API_TOKEN" upload "$PKG_PATH" --user CCPBioSim --force

.pre-commit-config.yaml

@@ -14,6 +14,7 @@ repos:
       - id: check-added-large-files
       - id: check-merge-conflict
       - id: check-yaml
+        exclude: ^conda-recipe/meta\.yaml$
       - id: check-toml
       - id: end-of-file-fixer
         exclude: ^project/