zhangyiss/spack
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3 Commits

Author SHA1 Message Date
Massimiliano Culpo
f9c0348891 cp2k: update to 4.1 + update of dependencies (#3561) 
* libint: updated version, ported to AutotoolsPackage

* elpa: updated version, ported to AutotoolsPackage

* wannier90: updated version, ported to MakefilePackage

* pexsi: updated version, ported to MakefilePackage

* cp2k: updated version, removed wannier 90 from dependencies if cp2k@4.1

* plumed: updated version

Modifications:

* modules has been turned into a single variant, as different versions
  have different modules available
* added dictionaries for patches

* netlib-scalapack: ported to CMakePackage
 2017-03-30 09:46:05 -05:00
Massimiliano Culpo
50fcade81b cp2k : added support for libint, fixed compilation issues on elpa (#1889) 2016-10-03 08:25:36 -07:00
Adam J. Stewart
deb1cb4805 Add libint package (#1264) 
* Add libint package

* Add Intel optimization flags recommended by CP2K

* Add new version and Intel compiler optimization flags for libxc

* Add older version of libint

* Libint depends on GMP C++ library
 2016-09-29 15:35:10 -04:00