
Worked on the spack/spack-packages repository to deliver a major upgrade and modernization of the CASTEP package. Upgraded CASTEP to version 25.12 and migrated its build system from Makefiles to CMake, introducing new build variants and dependencies to support the updated workflow. This transition improved maintainability and reproducibility while ensuring compatibility with current and future compiler toolchains. The work focused on build systems and package management, utilizing C, Fortran, and CMake to streamline the build process. All changes were consolidated into a single commit, with no critical bugs reported, and the updates were isolated to the 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.
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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