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author | Glenn Johnson <glenn-johnson@uiowa.edu> | 2021-05-22 08:35:58 -0500 |
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committer | GitHub <noreply@github.com> | 2021-05-22 15:35:58 +0200 |
commit | 1000deb5f99a34c1611b9638c6f90096f5698746 (patch) | |
tree | d905b85d9a832a2905902f06a3091021302130c0 /LICENSE-APACHE | |
parent | cd61b2352d5bd8599f364a2b2462cac6fb5a2c5f (diff) | |
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Update abinit package (#23670)
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
Diffstat (limited to 'LICENSE-APACHE')
0 files changed, 0 insertions, 0 deletions