Commit Graph

10 Commits

Author SHA1 Message Date
Todd Gamblin
54f97d1dec
Update copyright on LLNL files for 2018. (#7592) 2018-03-24 12:13:52 -07:00
Michael Sternberg
726c7e0f06 Opt avx (#7486)
* Promote to Autotools for simplicity; broaden Intel CPU opt targeting from SSE4.2 to AVX2

* make Intel CPU opt targeting same as in ../libxc

* flake8 W291

* use canonical means to pass (ahem) the test phase, h/t @adamjstewart

* revert f25d598 (unrelated merge)

* re-merge
2018-03-21 19:53:19 -05:00
Todd Gamblin
05fa302655
Replace github.com/llnl/spack with github.com/spack/spack (#6142)
We moved to a new GitHub org! Now make the code and docs reflect that.
2017-11-04 17:08:04 -07:00
Michael Kuhn
84ae7872d3 Update copyright notices for 2017 (#5295) 2017-09-06 17:44:16 -10:00
becker33
f962aba6ce Allow packages to control handling of compiler flags (#4421)
* Initial work on flag trapping using functions called <flag>_handler and default_flag_handler

* Update packages so they do not obliterate flags

* Added append to EnvironmentModifications class

* changed EnvironmentModifications to have append_flags method

* changed flag_val to be a tuple

* Increased test coverage

* added documentation of flag handling
2017-07-19 20:12:00 -07:00
Massimiliano Culpo
f403117f71 libint: factored parts of configure_args into their own functions (#4211)
* libint: factored parts of configure_args into their own functions

* libint: added -xSSE2, as suggested by @lee218llnl
2017-07-05 09:19:39 -05:00
Todd Gamblin
cac4362f64 Make LICENSE recognizable by GitHub. (#4598) 2017-06-24 22:22:55 -07:00
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