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phonopy / phono3py

A simulation package of phonon-phonon interaction related properties
http://phonopy.github.io/phono3py/
BSD 3-Clause "New" or "Revised" License
114 stars 54 forks source link

[FEATURE] Add support for BLAS and LAPACK libraries discovery #227

Open ccoulombe opened 2 months ago

ccoulombe commented 2 months ago

Please add support for discovering BLAS and LAPACK libraries through cmake mechanisms.

We use Flexiblas and this is supported through -DBLA_VENDOR (https://cmake.org/cmake/help/latest/module/FindBLAS.html)

By asking CMake to find required libraries, this add flexibity and avoid custom patching of CMakeLists.txt

atztogo commented 2 months ago

I am not very familiar with cmake. Do you have anything in your mind how to modify the phono3py setup system?