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electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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[CMake] Intel OneAPI MKL #964

Closed RMeli closed 4 months ago

RMeli commented 4 months ago

This PR removes the custom FindMKL.cmake module in favor of using the MKLConfig.cmake provided by Intel OneAPI MKL (since version 2021.3).

intel-mkl is now deprecated in Spack (see https://github.com/spack/spack/pull/41488), and the last release is 2020.4.30.

We recently moved to Intel OneAPI MKL in DLA-Future (see https://github.com/eth-cscs/DLA-Future/pull/1073), which broke sirius+dlaf since they both use MKL_FOUND and other equally named variables, but then use sirius::mkl and MKL::MKL, respectively. This leads to

    179      The link interface of target "DLAF::LAPACK" contains:
     180    
     181        MKL::MKL
     182    
     183      but the target was not found.  Possible reasons include:

(Thanks @albestro for the help spotting that sharing MKL_FOUND was the root of the problem.)