
Andrew Jackson developed and maintained advanced features for the mantidproject/mantid repository, focusing on the Abins and Abins2D modules for vibrational spectroscopy analysis. He refactored core algorithms to centralize atom and isotope data handling, modernized spectral data models using Python and Euphonic, and expanded input compatibility to include Molden and YAML formats. His work emphasized robust error handling, improved test reliability through CI/CD and unit testing, and streamlined code via modular refactoring and validated data classes. By enhancing documentation and automating test workflows, Andrew delivered maintainable, flexible solutions that improved data integrity, user experience, and long-term project scalability.

During September 2025, Mantid development concentrated on Abins workflow improvements, delivering faster, more reliable testing and improved data-input flexibility for lattice dynamics. Key outcomes include test suite refactor and performance enhancements, dependency upgrades, and expanded input formats.
During September 2025, Mantid development concentrated on Abins workflow improvements, delivering faster, more reliable testing and improved data-input flexibility for lattice dynamics. Key outcomes include test suite refactor and performance enhancements, dependency upgrades, and expanded input formats.
July 2025: Delivered Molden file import support for Abins/Abins2 in Mantid, refactoring input loaders to use validated data classes and reduce boilerplate, and implemented a cross-platform multiprocessing compatibility fix to stabilize builds on non-Linux systems. These changes broaden data source compatibility, improve data integrity and test coverage, and enhance CI reliability, delivering measurable business value through faster validation, fewer platform-specific failures, and more robust Abins workflows. Technologies demonstrated include Python-focused loader refactors, test data management, and cross-platform multiprocessing patterns.
July 2025: Delivered Molden file import support for Abins/Abins2 in Mantid, refactoring input loaders to use validated data classes and reduce boilerplate, and implemented a cross-platform multiprocessing compatibility fix to stabilize builds on non-Linux systems. These changes broaden data source compatibility, improve data integrity and test coverage, and enhance CI reliability, delivering measurable business value through faster validation, fewer platform-specific failures, and more robust Abins workflows. Technologies demonstrated include Python-focused loader refactors, test data management, and cross-platform multiprocessing patterns.
June 2025 monthly summary: Focused on robustness and data-model modernization for Abins in mantid. Implemented a significant refactor to improve atom selection parsing and added a preparation step for resolution calculations to optimize performance. Migrated spectral data handling from a custom SData class to Euphonic's Spectrum1D/Spectrum2D, enabling richer metadata and querying capabilities. These changes enhance spectral analysis throughput, data quality, and maintainability, and lay the groundwork for scalable spectroscopy workflows.
June 2025 monthly summary: Focused on robustness and data-model modernization for Abins in mantid. Implemented a significant refactor to improve atom selection parsing and added a preparation step for resolution calculations to optimize performance. Migrated spectral data handling from a custom SData class to Euphonic's Spectrum1D/Spectrum2D, enabling richer metadata and querying capabilities. These changes enhance spectral analysis throughput, data quality, and maintainability, and lay the groundwork for scalable spectroscopy workflows.
April 2025 monthly summary for mantidproject/mantid: Delivered a feature enhancement to the Abins algorithm by enabling the Atoms parameter to accept bare atom indices and number ranges, improving usability and flexibility for spectral analysis. Included release notes, updated parameter documentation, and expanded unit tests to cover the new functionality (commit 8db6219e293b1a45a6b2e1baba6ed2c4800c84cb). No major bugs fixed this month; focus was on feature delivery, documentation, and test coverage to enhance reliability and release readiness. These changes reduce manual prep and broaden expressivity for users, demonstrating strong skills in Python, testing, and documentation.
April 2025 monthly summary for mantidproject/mantid: Delivered a feature enhancement to the Abins algorithm by enabling the Atoms parameter to accept bare atom indices and number ranges, improving usability and flexibility for spectral analysis. Included release notes, updated parameter documentation, and expanded unit tests to cover the new functionality (commit 8db6219e293b1a45a6b2e1baba6ed2c4800c84cb). No major bugs fixed this month; focus was on feature delivery, documentation, and test coverage to enhance reliability and release readiness. These changes reduce manual prep and broaden expressivity for users, demonstrating strong skills in Python, testing, and documentation.
February 2025: Strengthened test reliability and maintainability for Abins doctests in mantid, delivering more deterministic results and faster CI feedback. Implemented alignment with updated CacheDirectory behavior, introduced temporary directories for test isolation, and consolidated test setup/cleanup to reduce redundancy. These changes reduce flaky tests, shorten debugging cycles, and improve confidence in regression coverage across Abins and Abins2D modules. Repository: mantidproject/mantid.
February 2025: Strengthened test reliability and maintainability for Abins doctests in mantid, delivering more deterministic results and faster CI feedback. Implemented alignment with updated CacheDirectory behavior, introduced temporary directories for test isolation, and consolidated test setup/cleanup to reduce redundancy. These changes reduce flaky tests, shorten debugging cycles, and improve confidence in regression coverage across Abins and Abins2D modules. Repository: mantidproject/mantid.
January 2025 (mantidproject/mantid): Focused on Abins reliability, maintainability, and test stability. Delivered a structured set of changes that improve code quality, testing robustness, and user-facing reliability of Abins outputs. Highlights include a targeted refactor of the Abins algorithm module with AtomInfo isolation and enhanced type annotations; stabilization of tests against SciPy updates through tuned tolerances and updated data; explicit and robust CacheDirectory handling with clearer error reporting; documentation and release notes improvements to align docs with code changes; and enhanced test hygiene using tmpdir/tempfile and standardized attribute naming across Abins. Together these changes reduce flaky tests, improve reproducibility of results, and enable faster, safer development and onboarding for researchers using Abins.
January 2025 (mantidproject/mantid): Focused on Abins reliability, maintainability, and test stability. Delivered a structured set of changes that improve code quality, testing robustness, and user-facing reliability of Abins outputs. Highlights include a targeted refactor of the Abins algorithm module with AtomInfo isolation and enhanced type annotations; stabilization of tests against SciPy updates through tuned tolerances and updated data; explicit and robust CacheDirectory handling with clearer error reporting; documentation and release notes improvements to align docs with code changes; and enhanced test hygiene using tmpdir/tempfile and standardized attribute naming across Abins. Together these changes reduce flaky tests, improve reproducibility of results, and enable faster, safer development and onboarding for researchers using Abins.
December 2024 monthly summary for the mantid project (mantid repository). Focused on documentation around isotope identification within Abins/Abins2D and aligning release notes with user needs. Delivered targeted documentation enhancements and release notes refinements that improve clarity and accessibility for users working with isotope identification, mass differences, and NaN cross-section data.
December 2024 monthly summary for the mantid project (mantid repository). Focused on documentation around isotope identification within Abins/Abins2D and aligning release notes with user needs. Delivered targeted documentation enhancements and release notes refinements that improve clarity and accessibility for users working with isotope identification, mass differences, and NaN cross-section data.
November 2024 monthly highlights for mantid project (Repository: mantidproject/mantid). Key features delivered: - AtomInfo-based isotope handling and integration across Abins and Abins2D, centralizing atom data flow, workspace handling, and cross-section calculations. Refactored get_cross_section to rely on AtomInfo and extended tests and release notes to cover these changes. Major bugs fixed: - Robust cross-section error handling for NaN data and unsupported isotopes, with new tests and explicit ValueError paths; addressed missing return value and ensured stable behavior across good-case scenarios. Overall impact and accomplishments: - Improved accuracy and reliability of isotope cross-sections, reduced maintenance burden through centralized data handling, and enhanced user experience with clearer errors and better test coverage. This positions Abins/Abins2D for smoother future enhancements and releases. Technologies/skills demonstrated: - Python refactoring, test-driven development, and unit testing of AtomInfo integration; data modeling of atom/isotope information; cross-module workflow improvements; release-note discipline.
November 2024 monthly highlights for mantid project (Repository: mantidproject/mantid). Key features delivered: - AtomInfo-based isotope handling and integration across Abins and Abins2D, centralizing atom data flow, workspace handling, and cross-section calculations. Refactored get_cross_section to rely on AtomInfo and extended tests and release notes to cover these changes. Major bugs fixed: - Robust cross-section error handling for NaN data and unsupported isotopes, with new tests and explicit ValueError paths; addressed missing return value and ensured stable behavior across good-case scenarios. Overall impact and accomplishments: - Improved accuracy and reliability of isotope cross-sections, reduced maintenance burden through centralized data handling, and enhanced user experience with clearer errors and better test coverage. This positions Abins/Abins2D for smoother future enhancements and releases. Technologies/skills demonstrated: - Python refactoring, test-driven development, and unit testing of AtomInfo integration; data modeling of atom/isotope information; cross-module workflow improvements; release-note discipline.
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