Guard OneDFT code with GAUXC_HAS_ONEDFT and remove unused CUDA header#191
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awvwgk merged 2 commits intowavefunction91:skalafrom Apr 1, 2026
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Fix build failure when using CPU-only LibTorch with GAUXC_ENABLE_CUDA=ON: onedft_util.hpp included torch/csrc/cuda/CUDAPluggableAllocator.h which transitively requires c10/cuda/impl/cuda_cmake_macros.h — a header only present in CUDA-aware LibTorch distributions. Also fix build when GAUXC_ENABLE_ONEDFT=OFF: onedft_util.cxx was unconditionally compiled, pulling in torch/script.h even when LibTorch is not available. Changes: - Remove unused CUDAPluggableAllocator.h include from onedft_util.hpp (only used by commented-out code in device integrator) - Guard onedft_util.cxx compilation with if(GAUXC_HAS_ONEDFT) in CMake - Guard #include ..._onedft.hpp in host/device integrator .cxx files with #ifdef GAUXC_HAS_ONEDFT - Guard OneDFT method declarations in host integrator header with #ifdef GAUXC_HAS_ONEDFT and provide #else throw stubs Co-authored-by: Copilot <223556219+Copilot@users.noreply.github.com>
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This PR removes the unused
CUDAPluggableAllocator.hinclude fromonedft_util.hpp. It is only used by commented-out code.This also guards
onedft_util.cxxwithif(GAUXC_HAS_ONEDFT)in CMakeLists.#include ..._onedft.hppin host/device integrator.cxxfiles with#ifdef GAUXC_HAS_ONEDFTThis enables using this branch with
GAUXC_HAS_ONEDFT=OFF.