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add cp2k to suite#35

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spectral-compute:masterfrom
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add cp2k to suite#35
griffi-gh wants to merge 1 commit into
spectral-compute:masterfrom
griffi-gh:griffi-gh/cp2k

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@griffi-gh griffi-gh commented Jun 28, 2026

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Fails to build due to missing CUDA::cuFFTW library/link target (SCALE only provides cuFFT, not cuFFTW)

(DCP2K_ENABLE_PW_GPU=OFF + patching cufftw from CMakeLists might be a viable workaround, but that would force FFTs to CPU)

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griffi-gh commented Jun 28, 2026

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cuFFTW shouldn't be that hard to implement in SCALE though, it's a fairly thin wrapper over cuFFT

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griffi-gh marked this pull request as draft June 28, 2026 13:53
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(marked as draft as to get a usable build for validation some deps would need to be built with scale as well)

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