search

phonopy / phono3py

A simulation package of phonon-phonon interaction related properties
http://phonopy.github.io/phono3py/
BSD 3-Clause "New" or "Revised" License
126 stars 55 forks source link

Option to run without linking BLAS and LAPACK in C #301

Closed atztogo closed 6 days ago

atztogo commented 6 days ago

Made an option to run phono3py without linking BLAS and LAPACK(E) in C. This version can be built as follows:

% BUILD_WITHOUT_LAPACKE=ON pip install -e . -vvv

See the issue comment #300. Performance of this version is not measured yet.