electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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add a separate target for fortran api #971

Closed simonpintarelli closed 4 months ago

simonpintarelli commented 4 months ago

q-e-sirius currently fails in cmake configure when intel-oneapi-mkl is used, because MKL_INTERFACE, MKL_THREADING aren't propagated to q-e-sirius spack recipe.

The Fortran API actually doesn't require to find SIRIUS dependencies in cmake, as they are private dependencies (assuming shared library is used).

This PR changes cmake config files as follows:

The target sirius::sirius is the F90 API, using sirius::sirius_cxx as private dependency.

The change should be backwards compatible, since the C++ API isn't used in any project.