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@awvwgk awvwgk commented Nov 17, 2025

  • include header guards for MPI and CUDA
  • download json dependency if not available on system

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Pull Request Overview

This PR updates the GauXC version with improvements for better portability and dependency management. The changes add conditional compilation guards for CUDA and MPI functionality, and implement a fallback mechanism to download the nlohmann/json dependency when not available on the system.

Key changes:

  • Added conditional compilation guards (#ifdef GAUXC_HAS_CUDA) around CUDA-specific includes to prevent compilation errors when CUDA is not available
  • Updated MPI include from direct #include <mpi.h> to project-specific #include <gauxc/util/mpi.hpp> for better abstraction
  • Implemented FetchContent-based fallback to download nlohmann/json v3.12.0 when the system version is not found

Reviewed Changes

Copilot reviewed 5 out of 5 changed files in this pull request and generated 1 comment.

Show a summary per file
File Description
third_party/gauxc/src/xc_integrator/replicated/host/reference_replicated_xc_host_integrator_onedft.hpp Adds conditional compilation for device runtime handling based on GAUXC_HAS_DEVICE
third_party/gauxc/src/xc_integrator/integrator_util/onedft_util.hpp Guards CUDA-specific header inclusion with GAUXC_HAS_CUDA macro
third_party/gauxc/src/xc_integrator/integrator_util/onedft_util.cxx Guards CUDA headers and updates MPI include to use project wrapper
third_party/gauxc/cmake/gauxc-onedft.cmake Adds FetchContent logic to download nlohmann_json when not found on system
third_party/gauxc/cmake/gauxc-dep-versions.cmake Defines repository and version for nlohmann_json dependency

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- include header guards for MPI and CUDA
- download json dependency if not available on system
@awvwgk awvwgk merged commit 18cf836 into microsoft:main Nov 18, 2025
8 of 9 checks passed
@awvwgk awvwgk deleted the gauxc-patch branch November 18, 2025 07:46
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