add publish to test pypi ci

.github/workflows/test-pypi.yaml

@@ -0,0 +1,85 @@
+name: Build wheels and publish to test pypi
+
+on:
+  workflow_dispatch:
+    inputs:
+      package_version:
+        description: "Version of phreeqc package"
+        type: string
+        required: true
+
+jobs: 
+  build-sdist:
+    name: Build sdist
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+      with:
+        submodules: true
+    - uses: actions/setup-python@v5
+      with:
+        python-version: '3.9'
+    - name: Update version
+      run: python script.py version ${{ github.event.inputs.package_version }}
+    - name: Build sdist
+      run: pipx run build --sdist
+    - name: Check metadata
+      run: pipx run twine check dist/*
+    - uses: actions/upload-artifact@v4
+      with:
+        name: cibw-sdist
+        path: dist/*.tar.gz
+
+  build-wheels:
+    name: Build wheels
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: true
+      matrix:
+        os: [macos-latest, windows-latest, ubuntu-latest]
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          submodules: true
+      - uses: actions/setup-python@v5
+        with:
+          python-version: '3.9'
+      - name: Update version
+        run: python script.py version ${{ github.event.inputs.package_version }}
+      - name: Build wheels
+        uses: pypa/[email protected]
+        env:
+          CIBW_ARCHS_MACOS: "x86_64 arm64"
+          CIBW_ARCHS_WINDOWS: AMD64
+          CIBW_ARCHS_LINUX: x86_64
+      - name: Upload wheels
+        uses: actions/upload-artifact@v4
+        with:
+          name: cibw-wheels-${{ matrix.os }}
+          path: wheelhouse/*.whl
+
+  publish:
+    name: Publish wheels to pypi
+    runs-on: ubuntu-latest
+    needs: [build-wheels, build-sdist]
+    permissions:
+      id-token: write
+      attestations: write
+    steps:
+      - name: Download all dists
+        uses: actions/download-artifact@v4
+        with:
+          path: dist
+          pattern: cibw-*
+          merge-multiple: true
+      - name: Generate artifact attestation for sdist and wheels
+        uses: actions/attest-build-provenance@v1
+        with:
+          subject-path: "dist/*"
+      - name: Publish package to test pypi
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          password: ${{ secrets.TEST_PYPI_API_TOKEN }}
+          verbose: true
+          attestations: true
+          repository-url: https://test.pypi.org/legacy/

script.py

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+import re
+import sys
+
+
+def replace_version(filepath, new_version):
+    """Replaces the version number in a file.
+
+    Args:
+        filepath: The path to the file.
+        new_version: The new version string.
+    """
+    with open(filepath, "r") as f:
+        content = f.read()
+
+    # Use a regular expression to find and replace the version string
+    new_content = re.sub(
+        r'version\s*=\s*"(.*?)"', f'version = "{new_version}"', content
+    )
+
+    with open(filepath, "w") as f:
+        f.write(new_content)
+
+
+if __name__ == "__main__":
+    if len(sys.argv) >= 3 and sys.argv[1] == "version":
+        file_path = "pyproject.toml"
+        new_version_number = sys.argv[2]
+        replace_version(file_path, new_version_number)
+    else:
+        raise ValueError("Invalid input")