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cuik-molmaker v0.3.1
Maintenance release adding Linux aarch64 (ARM64) support and fixing macOS
dynamic-library loading, plus documentation updates.
New platform support
- Linux aarch64 / ARM64. The compiled extension is now located using the
interpreter's actual architecture (platform.machine()) instead of a
hard-codedx86_64suffix, socuik_molmakerbuilds and imports correctly on
aarch64 in addition to x86_64.
Bug fixes
- macOS runtime library resolution. The
cuik_molmaker_corelibrary now uses
the correct@loader_pathRPATH token on macOS instead of the ELF-only
$ORIGINtoken (whichdylddoes not understand). This is fixed for both the
conda build and the pip/PyPI (CUIKMOLMAKER_BUILD_AGAINST_PIP_RDKIT) build
paths, resolving dynamic-linker/overlinking failures when loading RDKit, Boost,
and libc++ dependencies on macOS (x86_64 and arm64).
Documentation
- Added a platform / Python / RDKit build-compatibility matrix in
docs/COMPATIBILITY.md. - Updated
README.mdanddocs/TESTING.md.
Housekeeping
- Removed the obsolete
scripts/check_and_install_cuik_molmaker.pyhelper.
Full changelog: v0.3.0...v0.3.1