
Marc Sarraute developed GPU acceleration and CUDA integration for the ABINIT package in the spack/spack-packages repository, focusing on enhancing electronic structure calculations and streamlining GPU-enabled workflows. He implemented GPU-aware MPI optimizations, introduced optional GPU instrumentation, and enforced OpenMP-enabled BLAS/FFT requirements to improve performance and reliability across toolchains. Using C, CUDA, and Python, Marc updated the build matrix for GCC 15 compatibility, simplified dependency management, and expanded support for new ABINIT versions. His work reduced installation friction, improved build maintainability, and ensured robust support for both legacy and current hardware, demonstrating depth in package management and GPU programming.
March 2026 monthly summary for spack/spack-packages focusing on ABINIT CUDA enhancements, dependency simplification, and version updates. Delivered improvements in GPU-enabled ABINIT workflows, reduced build friction, and prepared baseline for future CUDA integration.
March 2026 monthly summary for spack/spack-packages focusing on ABINIT CUDA enhancements, dependency simplification, and version updates. Delivered improvements in GPU-enabled ABINIT workflows, reduced build friction, and prepared baseline for future CUDA integration.
In 2025-11, delivered GPU support for ABINIT in the spack-packages workflow, enabling GPU-accelerated electronic structure calculations and robust GPU builds with optional GPU instrumentation (NVTX/rocTX markers). Updated the build matrix for GCC 15 compatibility, fixed compilation for older ABINIT versions, and bumped core dependencies (HDF5, LibXC) while introducing ABINIT 10.4.3 and 10.4.7. Added GPU-aware MPI optimizations and an OpenMP-enabled BLAS/FFT requirement, plus a new variant to toggle GPU markers. Tightened packaging constraints (restrict atompaw to ABINIT@8) and improved Cray LibSci as the BLAS/LAPACK provider. These changes improve performance, broaden hardware support, and enhance build reliability across toolchains.
In 2025-11, delivered GPU support for ABINIT in the spack-packages workflow, enabling GPU-accelerated electronic structure calculations and robust GPU builds with optional GPU instrumentation (NVTX/rocTX markers). Updated the build matrix for GCC 15 compatibility, fixed compilation for older ABINIT versions, and bumped core dependencies (HDF5, LibXC) while introducing ABINIT 10.4.3 and 10.4.7. Added GPU-aware MPI optimizations and an OpenMP-enabled BLAS/FFT requirement, plus a new variant to toggle GPU markers. Tightened packaging constraints (restrict atompaw to ABINIT@8) and improved Cray LibSci as the BLAS/LAPACK provider. These changes improve performance, broaden hardware support, and enhance build reliability across toolchains.

Overview of all repositories you've contributed to across your timeline