Use non-resuable GitHub CI to run Python 3.10, 3.11, 3.12 tests

.github/workflows/matrix-and-codecov-on-merge-to-main.yml

@@ -11,11 +11,59 @@ on:
   workflow_dispatch:
 
 jobs:
-  matrix-coverage:
-    uses: Billingegroup/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
-    with:
-      project: diffpy.pdffit2
-      c_extension: true
-      headless: false
-    secrets:
-      CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
+  coverage:
+    defaults:
+      run:
+        shell: bash -l {0}
+
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-13, macos-14]
+        python-version: ["3.10", "3.11", "3.12"]
+    env:
+          LATEST_PYTHON_VERSION: "3.12"
+    steps:
+      - name: Check out diffpy.pdffit2
+        uses: actions/checkout@v4
+
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+          activate-environment: test
+          auto-update-conda: true
+          environment-file: environment.yml
+          auto-activate-base: false
+          python-version: ${{ matrix.python-version }}
+
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install diffpy.pdffit2 and requirements
+        run: |
+          conda install --file requirements/conda.txt
+          conda install --file requirements/test.txt
+          conda install --file requirements/build.txt
+          python -m pip install . --no-deps
+
+      - name: Start Xvfb for ubuntu-latest only
+        if: matrix.os == 'ubuntu-latest'
+        run: |
+          sudo apt-get install -y xvfb
+          export DISPLAY=:99
+          Xvfb :99 -screen 0 1024x768x16 &
+
+      - name: Validate diffpy.pdfffit2
+        run: |
+          pytest --cov
+          coverage report -m
+          codecov
+
+      - name: Upload coverage to Codecov
+        if: matrix.os == 'ubuntu-latest' && matrix.python-version == env.LATEST_PYTHON_VERSION
+        uses: codecov/codecov-action@v4
+        env:
+          CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

.github/workflows/publish-docs-on-release.yml

@@ -0,0 +1,49 @@
+name: Deploy Documentation on Release
+
+on:
+  release:
+    types: [published]
+  workflow_dispatch:
+
+jobs:
+  docs:
+    defaults:
+      run:
+        shell: bash -l {0}
+
+    runs-on: macos-latest
+    steps:
+      - name: Check out diffpy.pdffit2
+        uses: actions/checkout@v4
+        with:
+          fetch-depth: 0  # Fetches branches and tags
+
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+          activate-environment: build
+          auto-update-conda: true
+          environment-file: environment.yml
+          auto-activate-base: false
+          python-version: 3.12
+
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install diffpy.pdffit2 and docs requirements
+        run: |
+          conda install --file requirements/conda.txt
+          conda install --file requirements/docs.txt
+          conda install --file requirements/build.txt
+          python -m pip install . --no-deps
+
+      - name: build documents
+        run: make -C doc html
+
+      - name: Deploy
+        uses: peaceiris/actions-gh-pages@v4
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: ./doc/build/html

.github/workflows/tests-on-pr.yml

@@ -8,11 +8,47 @@ on:
   workflow_dispatch:
 
 jobs:
-  tests-on-pr:
-    uses: Billingegroup/release-scripts/.github/workflows/_tests-on-pr.yml@v0
-    with:
-      project: diffpy.pdffit2
-      c_extension: true
-      headless: false
-    secrets:
-      CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
+  validate:
+    defaults:
+      run:
+        shell: bash -l {0}
+
+    runs-on: ubuntu-latest
+    steps:
+      - name: Check out diffpy.pdffit2
+        uses: actions/checkout@v4
+
+      - name: Initialize miniconda
+        uses: conda-incubator/setup-miniconda@v3
+        with:
+          activate-environment: test
+          auto-update-conda: true
+          environment-file: environment.yml
+          auto-activate-base: false
+          python-version: 3.12
+
+      - name: Conda config
+        run: >-
+          conda config --set always_yes yes
+          --set changeps1 no
+
+      - name: Install diffpy.pdffit2 and requirements
+        run: |
+          conda install --file requirements/conda.txt
+          conda install --file requirements/test.txt
+          conda install --file requirements/build.txt
+          python -m pip install . --no-deps
+
+
+      - name: Validate diffpy.pdffit2
+        run: |
+          pytest --cov
+          coverage report -m
+          codecov
+
+      - name: Upload coverage to Codecov
+        uses: codecov/codecov-action@v4
+        with:
+          verbose: true
+          fail_ci_if_error: true
+          token: ${{ secrets.CODECOV_TOKEN }}

news/py313.rst → news/py312.rst

@@ -1,6 +1,6 @@
 **Added:**
 
-* Python 3.13 support
+* Python 3.10, 3.11, 3.12 support
 
 **Changed:**
 
@@ -12,7 +12,7 @@
 
 **Removed:**
 
-* Python 3.10 support
+* Python <= 3.9 support
 
 **Fixed:**
 

pyproject.toml

@@ -14,7 +14,7 @@ maintainers = [
 description = "PDFfit2 - real space structure refinement program."
 keywords = ["PDF", "structure refinement"]
 readme = "README.rst"
-requires-python = ">=3.11, <3.14"
+requires-python = ">=3.10, <3.13"
 classifiers = [
         'Development Status :: 5 - Production/Stable',
         'Environment :: Console',
@@ -25,9 +25,9 @@ classifiers = [
         'Operating System :: Microsoft :: Windows',
         'Operating System :: POSIX',
         'Operating System :: Unix',
+        'Programming Language :: Python :: 3.10',
         'Programming Language :: Python :: 3.11',
         'Programming Language :: Python :: 3.12',
-        'Programming Language :: Python :: 3.13',
         'Topic :: Scientific/Engineering :: Physics',
         'Topic :: Scientific/Engineering :: Chemistry',
 ]