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add lapack/blas wrapper as suggested in #3706 #3757

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merged 1 commit into from
Mar 22, 2024

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yizeyi18
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  • Have you linked an issue with this pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #3706 (comment)

What's changed?

  • Added wrapper files for cmake's FindBLAS/FindLAPACK.cmake, moved wrap code in CMakeLists.txt into wrapper files.

Any changes of core modules? (ignore if not applicable)

No.

@WHUweiqingzhou WHUweiqingzhou merged commit 688ba85 into deepmodeling:develop Mar 22, 2024
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@caic99 caic99 mentioned this pull request Apr 11, 2024
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@yizeyi18
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yizeyi18 commented Apr 12, 2024

@caic99 A problem is: is abacus designed to be used in filesystem that is case-insensitive, like vFAT, FAT32, exFAT, or APFS; or operating system that is case-insensitive, like Windows? Some quantum chem software, like cp2k, do not(they also use filenames like FindBlas.cmake); others , like nwchem, do consider this and avoids using letter case to differ files. Which would abacus choose?

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caic99 commented Apr 22, 2024

@caic99 A problem is: is abacus designed to be used in filesystem that is case-insensitive, like vFAT, FAT32, exFAT, or APFS; or operating system that is case-insensitive, like Windows? Some quantum chem software, like cp2k, do not(they also use filenames like FindBlas.cmake); others , like nwchem, do consider this and avoids using letter case to differ files. Which would abacus choose?

Hi @yizeyi18 ,
There are still users using WSL for using and developing ABACUS, and the issues we met have proven this. I think we should consider the case-insensitive situations for some users, and hopefully run ABACUS natively on windows someday.

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Install the abacus failed with DCU on Sugon platform
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