
During August 2025, Daniel Kuehn upgraded the CASTEP package in the spack/spack-packages repository, focusing on modernizing its build system. He migrated the package from Makefiles to CMake, introducing new build variants and dependencies to support the updated workflow and ensure compatibility with newer compiler toolchains. This work leveraged his expertise in C, Fortran, and build systems, and was consolidated into a single, well-scoped commit. The modernization improved maintainability, reproducibility, and CI integration for the package, while isolating changes to CASTEP and avoiding regressions. No critical bugs were reported, reflecting a careful and thorough engineering approach.

August 2025 monthly summary for spack/spack-packages: Delivered a major CASTEP package upgrade and build-system modernization. Upgraded CASTEP to version 25.12, migrated the build system from Makefiles to CMake, and introduced new build variants and dependencies to support the CMake workflow and newer compilers. The work was consolidated in commit 69f803813eadc8e78262645cf6e2c28ab8e60423, which adds CASTEP 25.12 and completes the migration. This modernization improves maintainability, reproducibility, and CI integration, while ensuring compatibility with current and future toolchains. No critical bugs were observed as part of this work, and changes are isolated to the spack-packages CASTEP package.
August 2025 monthly summary for spack/spack-packages: Delivered a major CASTEP package upgrade and build-system modernization. Upgraded CASTEP to version 25.12, migrated the build system from Makefiles to CMake, and introduced new build variants and dependencies to support the CMake workflow and newer compilers. The work was consolidated in commit 69f803813eadc8e78262645cf6e2c28ab8e60423, which adds CASTEP 25.12 and completes the migration. This modernization improves maintainability, reproducibility, and CI integration, while ensuring compatibility with current and future toolchains. No critical bugs were observed as part of this work, and changes are isolated to the spack-packages CASTEP package.
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