Build wheels with numpy 2.0.

.github/CODEOWNERS

@@ -2,6 +2,5 @@
 * @glotzerlab/freud-developers
 # Request maintainers for changes to requirements or CI
 requirements/* @glotzerlab/freud-maintainers
-requirements.txt @glotzerlab/freud-maintainers
 .github @glotzerlab/freud-maintainers
 .pre-commit-config.yaml @glotzerlab/freud-maintainers

.github/requirements-build-sdist.in

@@ -0,0 +1 @@
+build == 1.1.1

.github/requirements-build-sdist.txt

@@ -0,0 +1,12 @@
+#
+# This file is autogenerated by pip-compile with Python 3.12
+# by the following command:
+#
+#    pip-compile requirements-build-sdist.in
+#
+build==1.1.1
+    # via -r requirements-build-sdist.in
+packaging==24.0
+    # via build
+pyproject-hooks==1.1.0
+    # via build

.github/workflows/build_wheels.yml

@@ -1,5 +1,9 @@
 name: Build wheels
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
 on:
   # Trigger on pushes to the mainline branches and version tags. This prevents building commits
   # twice when the pull request source branch is in the same repository.
@@ -17,34 +21,79 @@ on:
   workflow_dispatch:
 
 env:
+  UV_VERSION: 0.2.2
   SLACK_WEBHOOK_URL: ${{ secrets.SLACK_WEBHOOK_URL }}
 
 jobs:
   build_wheels:
-    name: Build wheel for ${{ matrix.os }}, Python ${{ matrix.pyver }}
-    runs-on: ${{ matrix.os }}
+    name: Build wheels [${{ matrix.python.version }}, ${{ matrix.os.base }}-${{ matrix.os.arch }}]
+    runs-on: ${{ matrix.os.base }}-${{ matrix.os.version }}
     if: ${{ contains(github.event.pull_request.labels.*.name, 'build_wheels') || github.event_name != 'pull_request' }}
     strategy:
+      fail-fast: false
       matrix:
-        os: [ubuntu-20.04, macos-14] #, windows-2019]
-        pyver: ["3.8", "3.9", "3.10", "3.11", "3.12"]
+        os:
+        - base: ubuntu
+          version: latest
+          arch: 'x86_64'
+        # - base: windows
+        #   version: latest
+        #   arch: 'amd64'
+        - base: macos
+          version: 14
+          arch: 'arm64'
+        - base: macos
+          version: 13
+          arch: 'x86_64'
+
+        python:
+        # Pinned versions installed in CIBW_TEST_REQIURES are kept. Those defined installed in
+        # CIBW_BEFORE_TEST are often upgraded when the wheel is installed. This means we can't
+        # store the pinned requirements in a requirements file.
+        # Generate these version sets with commands like this:
+        # echo -e "numpy==1.21.6\nscipy\ngsd\nmatplotlib\nsympy" | uv pip compile --python-platform linux --python-version 3.9 --only-binary :all: - --resolution=lowest --no-deps
+        - version: 'cp39'
+          oldest_numpy: '1.22.4'
+          oldest_scipy: '1.7.3'
+          oldest_gsd: '2.5.0'
+          oldest_matplotlib: '3.5.0'
+          oldest_pytest: '8.2.1'
+          oldest_sympy: '1.10'
+        - version: 'cp310'
+          oldest_numpy: '1.22.4'
+          oldest_scipy: '1.7.3'
+          oldest_gsd: '2.7.0'
+          oldest_matplotlib: '3.5.0'
+          oldest_pytest: '8.2.1'
+          oldest_sympy: '1.10'
+        - version: 'cp311'
+          oldest_numpy: '1.23.2'
+          oldest_scipy: '1.9.2'
+          oldest_gsd: '2.7.0'
+          oldest_matplotlib: '3.6.0'
+          oldest_pytest: '8.2.1'
+          oldest_sympy: '1.10'
+        - version: 'cp312'
+          oldest_numpy: '1.26.2'
+          oldest_scipy: '1.11.2'
+          oldest_gsd: '3.2.0'
+          oldest_matplotlib: '3.7.3'
+          oldest_pytest: '8.2.1'
+          oldest_sympy: '1.10'
 
     steps:
-      - uses: actions/checkout@v4.1.4
+      - uses: actions/checkout@v4.1.6
         with:
           submodules: "recursive"
 
       - name: Build wheels
-        uses: pypa/cibuildwheel@v2.17.0
+        uses: pypa/cibuildwheel@v2.18.1
         env:
-          # Build for cpython >= 3.6.
-          CIBW_PROJECT_REQUIRES_PYTHON: "==${{ matrix.pyver }}.*"
+          CIBW_BUILD: "${{ matrix.python.version }}-*"
           CIBW_SKIP: "{pp*,*-musllinux_*}"
 
           # Build only on 64-bit architectures.
-          CIBW_ARCHS_MACOS: "x86_64 arm64"
-          CIBW_ARCHS_LINUX: auto64
-          CIBW_ARCHS_WINDOWS: auto64
+          CIBW_ARCHS: auto64
 
           # Configure environment variables.
           CIBW_ENVIRONMENT_LINUX: "CMAKE_PREFIX_PATH=/project/tbb LD_LIBRARY_PATH=/project/tbb/lib/intel64/gcc4.8:$LD_LIBRARY_PATH"
@@ -57,35 +106,42 @@ jobs:
           CIBW_BEFORE_BUILD_WINDOWS: "powershell .github/workflows/cibuildwheel-before-build.ps1 {package}"
 
           # Test the wheels.
-          CIBW_BEFORE_TEST_LINUX: "source .github/workflows/cibuildwheel-before-test.sh {package}"
-          CIBW_BEFORE_TEST_MACOS: "source .github/workflows/cibuildwheel-before-test.sh {package}"
-          CIBW_BEFORE_TEST_WINDOWS: "powershell .github/workflows/cibuildwheel-before-test.ps1 {package}"
-          CIBW_TEST_COMMAND: "cd {package}/tests && pytest . -v --log-level=DEBUG -n auto"
+          CIBW_TEST_REQUIRES: >
+            pytest==${{ matrix.python.oldest_pytest }}
+            sympy==${{ matrix.python.oldest_sympy }}
+            numpy==${{ matrix.python.oldest_numpy }}
+            scipy==${{ matrix.python.oldest_scipy }}
+            gsd==${{ matrix.python.oldest_gsd }}
+            matplotlib==${{ matrix.python.oldest_matplotlib }}
+          CIBW_TEST_COMMAND: "cd {package}/tests && pytest . -v --log-level=DEBUG"
 
       - uses: actions/upload-artifact@v4.3.3
         with:
-          name: dist-${{ matrix.os }}-${{ matrix.pyver }}
+          name: dist-${{ matrix.os.base }}-${{ matrix.os.version }}-${{ matrix.python.version }}
           path: ./wheelhouse/*.whl
 
   build_sdist:
     name: Build source distribution
     runs-on: ubuntu-latest
     if: ${{ contains(github.event.pull_request.labels.*.name, 'build_wheels') || github.event_name != 'pull_request' }}
     steps:
-      - uses: actions/checkout@v4.1.4
+      - uses: actions/checkout@v4.1.6
         with:
           submodules: "recursive"
 
       - uses: actions/setup-python@v5.1.0
         name: Install Python
         with:
-          python-version: '3.9'
+          python-version: '3.12'
+
+      - name: Install uv
+        run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/${{ env.UV_VERSION }}/uv-installer.sh | bash
 
-      - name: Install build requirements
-        run: python3 -m pip --disable-pip-version-check install scikit-build cmake -r requirements.txt --upgrade --progress-bar=off
+      - name: Install build
+        run: 'uv pip install -r .github/requirements-build-sdist.txt --only-binary :all: --system --reinstall'
 
       - name: Build sdist
-        run: python setup.py sdist
+        run: python -m build --sdist --outdir dist/ .
 
       - uses: actions/upload-artifact@v4.3.3
         with:
@@ -124,8 +180,8 @@ jobs:
         with:
           user: __token__
           password: ${{ secrets.TEST_PYPI_API_TOKEN }}
-          repository_url: https://test.pypi.org/legacy/
-          skip_existing: true
+          repository-url: https://test.pypi.org/legacy/
+          skip-existing: true
 
       - name: Slack notification
         if: startsWith(github.ref, 'refs/tags/v') || failure()

.github/workflows/env-files/environment.yaml

@@ -0,0 +1,22 @@
+name: test
+channels:
+  - conda-forge
+
+dependencies:
+  - python==3.12
+  - tbb
+  - tbb-devel
+  - ninja
+  - cmake
+  - cython
+  - dynasor
+  - gsd
+  - matplotlib
+  - numpy
+  - pillow
+  - pytest
+  - rowan
+  - scikit-build
+  - scipy
+  - sympy
+  - uv