Update cibuildwheel (#2010)

* Update cibuildwheel based on current web documentation

Now uses cibuildwheel 3.0

Signed-off-by: Geoff Hutchison <[email protected]>

Author: ghutchis

.github/workflows/build_wheels.yml

@@ -7,8 +7,8 @@ concurrency:
   cancel-in-progress: true
 
 env:
-  # Don't build python 2.7, pypy, or 32-bit wheels or Mac arm64 on Py3.8
-  CIBW_SKIP: "cp36-* cp37-* cp311-manylinux* cp312-manylinux* cp38-macosx_arm64 pp* *-musllinux_* *-manylinux_i686 *-win32"
+  # builds to skip (e.g. skip 32-bit windows)
+  CIBW_SKIP: "cp38-macosx_arm64 *-manylinux_i686 *-musllinux_* *-win32"
 
   # Need to do some setup before repairing the wheel on linux...
   CIBW_REPAIR_WHEEL_COMMAND_LINUX: bash scripts/github-actions/repair_command_linux.sh
@@ -27,7 +27,7 @@ env:
   CIBW_TEST_COMMAND: pytest {project}/scripts/github-actions/simple_test.py
 
   # We can't currently test Mac arm64 builds on x64
-  CIBW_TEST_SKIP: "*_arm64 *_universal2:arm64"
+  CIBW_TEST_SKIP: "*_arm64"
 
 
 # Use bash by default for the run command
@@ -42,8 +42,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        # For Windows, we have to use visual studio 2017, which is on windows-2016
-        os: [ubuntu-20.04, macos-latest, windows-2019]
+        os: [ubuntu-latest, ubuntu-24.04-arm, windows-latest, macos-13, macos-14]
 
     steps:
       - uses: actions/checkout@v4
@@ -52,20 +51,11 @@ jobs:
           # give it a correct version even on non-tag push.
           fetch-depth: 0
 
-      - uses: actions/setup-python@v5
-        name: Install Python
-        with:
-          python-version: '3.8'
-          cache: 'pip' # caching pip dependencies
-
-      - name: Install cibuildwheel
-        run: pip install cibuildwheel==2.16.2
-
       - name: Install dependencies
         run: . ./scripts/github-actions/install.sh
 
       - name: Build wheels
-        run:  cibuildwheel --output-dir wheelhouse
+        uses: pypa/cibuildwheel@v3.0.0
 
       - uses: actions/upload-artifact@v4
         with:
@@ -81,8 +71,10 @@ jobs:
     steps:
       - uses: actions/download-artifact@v4
         with:
-          name: artifact
+          # unpacks all CIBW artifacts into dist/
+          pattern: cibw-*
           path: dist
+          merge-multiple: true
 
       - uses: pypa/gh-action-pypi-publish@master
         with:

scripts/github-actions/repair-linux.sh

@@ -1,11 +1,12 @@
 #!/usr/bin/env bash
 set -ev
 
-# CentOS 7 is EOL so mirror.centos.org is offline
-# https://serverfault.com/a/1161921
-
-sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo
-sed -i s/^#.*baseurl=http/baseurl=https/g /etc/yum.repos.d/*.repo
-sed -i s/^mirrorlist=http/#mirrorlist=https/g /etc/yum.repos.d/*.repo
-
-yum install -y git eigen3-devel
+# This script is used to repair the Linux environment in GitHub Actions.
+if command -v apt-get >/dev/null; then
+  apt-get -y install git libeigen3-dev
+elif command -v yum >/dev/null; then
+  yum install -y git eigen3-devel
+else
+  echo "Neither apt-get nor yum found. Cannot install dependencies."
+  exit 1
+fi

scripts/github-actions/simple_test.py

@@ -1,4 +1,7 @@
 import avogadro
+import faulthandler
+
+faulthandler.enable()
 
 ethane_xyz = '''8
 Ethane
@@ -15,10 +18,10 @@
 
 def test_simple():
     mol = avogadro.core.Molecule()
-    manager = avogadro.io.FileFormatManager()
 
     assert mol.atom_count() == 0
 
+    manager = avogadro.io.FileFormatManager()
     assert manager.read_string(mol, ethane_xyz, 'xyz')
 
     assert mol.atom_count() == 8