During November 2024, Nolta developed a robust EasyBuild configuration for PSI4 within the ComputeCanada/easybuild-easyconfigs repository, enabling builds with optional components such as dkh, ecpint, and PCMSolver based on user requests and default conda configurations. Nolta addressed compatibility issues by updating the Libxc version alignment for PSI4 1.9.1, improving build stability and reducing CI failures. The work demonstrated practical expertise in build system configuration, software packaging, and dependency management using Python and Shell scripting. Nolta’s contributions enhanced reproducibility and flexibility for PSI4 deployments, reflecting a thoughtful approach to environment configuration and cross-platform scientific software support.