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Toolchain: Enable float FFTW linking for building with MKL#7245

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mohanchen merged 1 commit intodeepmodeling:developfrom
Growl1234:toolchain
Apr 17, 2026
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Toolchain: Enable float FFTW linking for building with MKL#7245
mohanchen merged 1 commit intodeepmodeling:developfrom
Growl1234:toolchain

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MKL supports both single and double precision at the same time, so adding -DENABLE_FLOAT_FFTW=ON flag is of no harm. It wasn't added to GNU toolchain building script in case some people link the FFTW package installed by their own (it's easy via simply passing --with-fftw=system to the end of ./toolchain_gnu.sh command) with no single precision support (its single/double precision does not share the same configuration and cannot be compiled at once).

Copilot AI review requested due to automatic review settings April 15, 2026 15:03
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Pull request overview

This PR updates MKL-based toolchain build scripts to always enable ABACUS’ single-precision FFTW code paths when configuring with CMake, aligning with the intent that MKL can support both single and double precision FFT interfaces.

Changes:

  • Enable -DENABLE_FLOAT_FFTW=ON in the Intel (icpx/mpiicpx) toolchain build script.
  • Enable -DENABLE_FLOAT_FFTW=ON in the GCC+MKL toolchain build script.

Reviewed changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated 2 comments.

File Description
toolchain/build_abacus_intel.sh Adds -DENABLE_FLOAT_FFTW=ON to the CMake configure command for Intel+MKL builds.
toolchain/build_abacus_gcc-mkl.sh Adds -DENABLE_FLOAT_FFTW=ON to the CMake configure command for GCC+MKL builds.

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Comment thread toolchain/build_abacus_intel.sh
Comment thread toolchain/build_abacus_gcc-mkl.sh
@mohanchen mohanchen added the Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS label Apr 17, 2026
@mohanchen mohanchen merged commit e6a377d into deepmodeling:develop Apr 17, 2026
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3 participants