1000deb5f9
This PR updates the abinit package. The underlying build system has several changes from previous versions, which are reflected in the package recipe. - added version 9.4.2 - removed commented out code - add new libxml2 variant, with dependency and conflicts - add dependency on atompaw - depend on fftw-api when ~openmp This allows other fftw implementations to be used. This PR adds MKL. - depend on netcdf explicitly - remove hdf5 variant as hdf5 is required - only use wannier90 if +mpi as the wannier90 spack package is MPI only - allow newer versions of libxc for abinit 9 - split configure options for versions before and after abinit 9 - always use MPI compiler wrappers - add patch to remove march settings for version 9 - Set conflict for fftw~openmp if abinit+openmp This allows the virtual fftw-api to be used for the dependency. If fftw is the fftw-api provider then bail if fftw~openmp is set when abinit+openmp is used. - Set conflicts for +openmp and mkl - Be explicit about +mkl for intel-parallel-studio - Add TODO entry for switching conflicts/depends_on logic |
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