Fix macOS wheel bundling by setting DYLD_LIBRARY_PATH for delocate

The delocate-wheel command was failing to find QUIP shared libraries
because DYLD_LIBRARY_PATH wasn't set. This caused the fallback to
copy the wheel as-is, resulting in broken wheels that couldn't find
liblibAtoms.dylib and other QUIP libraries at runtime.

Fix by:
- Setting QUIP_LIB_PATH environment variable with paths to QUIP libraries
- Using DYLD_LIBRARY_PATH in the repair command so delocate can find them
- Removing the fallback that produced broken wheels

🤖 Generated with [Claude Code](https://claude.com/claude-code)

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

Author: jameskermode

.github/workflows/build-wheels.yml

@@ -113,18 +113,18 @@ jobs:
           CIBW_ENVIRONMENT_LINUX: >
             PKG_CONFIG_PATH="/usr/lib64/pkgconfig:/usr/local/lib64/pkgconfig"
 
-          # macOS: Add paths for openblas
+          # macOS: Add paths for openblas and QUIP libraries
+          # QUIP_LIB_PATH is used by the repair command to find QUIP shared libraries
           CIBW_ENVIRONMENT_MACOS: >
             PATH="/opt/homebrew/bin:/usr/local/bin:$PATH"
             PKG_CONFIG_PATH="/opt/homebrew/opt/openblas/lib/pkgconfig:/usr/local/opt/openblas/lib/pkgconfig"
+            QUIP_LIB_PATH="$GITHUB_WORKSPACE/builddir/src/libAtoms:$GITHUB_WORKSPACE/builddir/src/fox:$GITHUB_WORKSPACE/builddir/src/GAP:$GITHUB_WORKSPACE/builddir/src/Potentials:$GITHUB_WORKSPACE/builddir/src/Utils"
 
-          # macOS: Custom repair command to handle duplicate libgfortran libraries
-          # delocate has issues with multiple libgfortran.dylib paths from QUIP's multiple libraries
-          # Try repair with arch check, then without, then skip repair (copy wheel as-is)
+          # macOS: Custom repair command to bundle QUIP libraries into wheel
+          # Set DYLD_LIBRARY_PATH so delocate can find QUIP shared libraries
           CIBW_REPAIR_WHEEL_COMMAND_MACOS: >
-            delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel} ||
-            delocate-wheel -w {dest_dir} -v {wheel} ||
-            cp {wheel} {dest_dir}/
+            DYLD_LIBRARY_PATH="$QUIP_LIB_PATH:$DYLD_LIBRARY_PATH"
+            delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}
 
           # Build with meson-python (already configured in pyproject.toml)
           CIBW_BUILD_FRONTEND: "build"