zhangyiss/spack
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4 Commits

Author SHA1 Message Date
Tiziano Müller
c0cb92b2f6 SIRIUS package: add v6.3.2 + Python/MKL support (#12472) 
* Add version 6.3.2 (which does not require patches like 6.1.5)
* Add +python variant to build Python bindings
* Option to build shared libraries does not exist for newer
  versions including 6.3.2
* Update 'libs' property (library names are different for newer
  versions)
* Add support to detect and build with MKL as blas provider
 2019-08-23 15:51:51 -07:00
Tiziano Müller
95fec7adfc CP2K/SIRIUS: add support for building with CUDA, fix CP2K build with MKL (#11418) 
* cp2k/sirius: add CUDA support

* cp2k: fix building with MKL

* sirius: make sure to link against Spacks blas/lapack/scalapack
 2019-08-13 19:59:08 +02:00
Tiziano Müller
92c4567404 elpa: override headers prop for common include-dir localization 
... and apply this in SIRIUS, CP2K & QE.

Thanks to @scheibelp for the idea.
 2019-05-10 03:43:02 +09:00
Tiziano Müller
a3341bbdf3 packages/sirius: initial commit 2019-05-10 03:43:02 +09:00