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Build system updates from AmberTools 2024 RC #362

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merged 3 commits into from
Apr 19, 2024

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ohearnk
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@ohearnk ohearnk commented Apr 16, 2024

This MR pulls in the build system updates from the AmberTools 2024 RC (HEAD of master at commit 30223a9e) for the files under the cmake directory, with care to port over QUICK-specific modifications. Also, updates have been ported over to relevant QUICK-specific build files in quick-cmake.

Worth noting, changes in cmake/MPIConfig.cmake were omitted from this update due to build issues results from updates (likely due to QUICK CMake namespace issues).

This also brings GPU support up to date with Amber (specifically for CUDA v12.4.x) support.

… at commit 30223a9e). Backport updates to QUICK-specific build files (quick-cmake). Omit updates to cmake/MPIConfig.cmake due to issues.
@ohearnk ohearnk requested a review from agoetz April 16, 2024 18:25
@ohearnk ohearnk self-assigned this Apr 16, 2024
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@merzlab merzlab left a comment

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Looks good to me. I tested on my macbook (serial and mpi) and a Linux box with RTX2080 GPU with CUDA 12.4 (serial, mpi, cuda).

@merzlab merzlab merged commit 83e7538 into merzlab:master Apr 19, 2024
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@ohearnk ohearnk deleted the ambertools-2024-build-system-updates branch July 30, 2024 19:20
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2 participants