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Unverified Commit c3a38e0b authored by Simon Pintarelli's avatar Simon Pintarelli Committed by GitHub
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sirius (new versions, fixes), q-e-sirius (new package), nlcglib (new package) (#17844)


* sirius, update versions, fixes, add missing options

- sirius/spfft: depend on fftw-api
- cleanup +shared option
- sirius add option for memory pool
- sirius add version 6.5.3 and 6.5.4
- sirius: add spfft dependency for @master, @develop

* add nlcglib package

Robust wave function optimization for SIRIUS.

* add q-e-sirius package

based on q-e package

* Update var/spack/repos/builtin/packages/q-e-sirius/package.py

Co-authored-by: default avatarAdam J. Stewart <ajstewart426@gmail.com>

* nlcglib: pass nvcc_wrapper to cmake

* Add 6.5.6

* Make flake8 happy

Co-authored-by: default avatarAdam J. Stewart <ajstewart426@gmail.com>
Co-authored-by: default avatarHarmen Stoppels <harmenstoppels@gmail.com>
parent 3a02d1a8
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