Use ExternalProject_Add to install iphreeqc (#3)

* Build IPhreeqc seperatly

* Remove apply_patch

* Remove circle ci

* add sudo

* Use ExternalProject_Add

* Add pic

* Add option IPHREEQC_VERSION

* add publish to test pypi ci

.github/workflows/ci.yaml

@@ -8,17 +8,21 @@ on:
     - README.md
 
 jobs:
-  build-and-test:
-    name: Build and test
-    runs-on: ubuntu-latest
+  build-iphreeqc:
+    name: Build IPhreeqc Python bindings
+    strategy:
+      fail-fast: true
+      matrix:
+        os: [macos-latest, windows-latest, ubuntu-latest]
+    runs-on: ${{ matrix.os }}
     steps:
       - uses: actions/checkout@v4
         with:
           submodules: true
       - uses: actions/setup-python@v5
         with:
           python-version: '3.12'
-      - name: Build the package using pip
+      - name: Build Python bindings
         run: pip install . pytest
       - name: Test
         run: pytest tests

.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/

.gitignore

@@ -188,4 +188,7 @@ dmypy.json
 .pytype/
 
 # Cython debug symbols
-cython_debug/
+cython_debug/
+
+iphreeqc-build/
+iphreeqc-install/

.gitmodules

@@ -1,6 +1,3 @@
 [submodule "pybind11"]
 	path = pybind11
 	url = https://github.com/pybind/pybind11.git
-[submodule "iphreeqc"]
-	path = iphreeqc
-	url = https://github.com/usgs-coupled/iphreeqc.git