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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:Adam J. Stewart <ajstewart426@gmail.com> * nlcglib: pass nvcc_wrapper to cmake * Add 6.5.6 * Make flake8 happy Co-authored-by:
Adam J. Stewart <ajstewart426@gmail.com> Co-authored-by:
Harmen Stoppels <harmenstoppels@gmail.com>
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- var/spack/repos/builtin/packages/nlcglib/package.py 64 additions, 0 deletionsvar/spack/repos/builtin/packages/nlcglib/package.py
- var/spack/repos/builtin/packages/q-e-sirius/package.py 317 additions, 0 deletionsvar/spack/repos/builtin/packages/q-e-sirius/package.py
- var/spack/repos/builtin/packages/sirius/package.py 18 additions, 4 deletionsvar/spack/repos/builtin/packages/sirius/package.py
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