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29 Commits

Author SHA1 Message Date
fcannini
9a8c4cf071 gromacs: make sure cuda support is disabled when cuda=False (#10936) 
* abinit: Fix building with hdf5/netcdf.

* gromacs: Fix attempt to build with cuda support when 'cuda=False'

If for some reason there's a cuda toolkit installed by other means,
(i.e. not by spack) cmake will still try to build with cuda support,
even though 'cuda=False' is the default of the spec.

* Revert "abinit: Fix building with hdf5/netcdf."

This reverts commit e16f725e37.

This should not be here.
 2019-03-20 04:54:03 +01:00
marvinbernhardt
7571787a3a gromacs: added simd and rdtscp variants + version 2019 (#9931) 2019-01-09 10:39:05 +01:00
Todd Gamblin
6f50cd52ed copyright: update license headers for 2013-2019 copyright. 2019-01-01 00:44:28 -08:00
Christoph Junghans
78c7a8218c gromacs: added 2018.[34] (#9828) 2018-11-13 10:02:59 -06:00
Todd Gamblin
eea786f4e8 relicense: replace LGPL headers with Apache-2.0/MIT SPDX headers 
- remove the old LGPL license headers from all files in Spack
- add SPDX headers to all files
  - core and most packages are (Apache-2.0 OR MIT)
  - a very small number of remaining packages are LGPL-2.1-only
 2018-10-17 14:42:06 -07:00
健美猞猁
c4c84b7567 Add version 5.1.5 for gromacs. (#8948) 2018-08-11 09:21:32 -05:00
健美猞猁
c1daedfdbf Gromacs conflicts with cmake@3.10: . (#8956) 2018-08-11 08:37:51 -05:00
Adam J. Stewart
4c6aca533a Add top-level attributes for hg, svn, and git A-L packages 2018-07-25 23:10:10 -07:00
健美猞猁
391d89a853 Bump gromacs versions. (#8676) 2018-07-11 08:05:39 -05:00
Massimiliano Culpo
9fee111741 gromacs: added version 2018.1 (#8251) 2018-05-23 10:13:09 -05:00
Todd Gamblin
54f97d1dec
Update copyright on LLNL files for 2018. (#7592) 2018-03-24 12:13:52 -07:00
Christoph Junghans
274036bfed gromacs: add v2018 (#7050) 2018-03-06 18:37:45 +01:00
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
Christoph Junghans
c4db3d384e gromacs: add develop version (#6098) 2017-11-02 15:16:21 +01:00
Christoph Junghans
fc237792b2 gromacs: added 2016.4 (#5376) 2017-09-16 09:12:02 +02:00
Michael Kuhn
84ae7872d3 Update copyright notices for 2017 (#5295) 2017-09-06 17:44:16 -10:00
Adam J. Stewart
07aec4366f Add universal build_type variant to CMakePackage (#4797) 
* Add universal build_type variant to CMakePackage
* Override build_type in some packages with different possible values
* Remove reference to no longer existent debug variant
* Update CBTF packages with new build_type variant
* Keep note on build size of LLVM
 2017-07-25 16:34:43 -07:00
Todd Gamblin
cac4362f64 Make LICENSE recognizable by GitHub. (#4598) 2017-06-24 22:22:55 -07:00
Christoph Junghans
f1943589b5 gromacs: added 5.1.4 and 2016.3 (#3758) 2017-04-07 10:59:14 -05:00
健美猫
c68295df2c Add cuda support for gromacs. (#3527) 2017-03-24 07:48:08 -05:00
健美猫
d46a1eadcd Replace FTP retrieval URLs with HTTP/HTTPS serving packages with identical checksum. (#2958) 2017-01-31 09:56:35 -05:00
Massimiliano Culpo
b27e78cd78 spack setup : fixed regression after #1186 (#2117) 2016-10-25 07:53:11 -07:00
Adam J. Stewart
f0f2c6c486 Add latest version of fftw 2016-08-19 17:05:14 -05:00
Todd Gamblin
84e331c586 Remove unneeded noqa comments. 2016-08-10 16:33:39 -07:00
alalazo
38dcd6bce9 qa : flake8 issues 2016-08-09 09:54:24 +02:00
Massimiliano Culpo
15d9fb1879 plumed : adding dependents 
* cp2k : added plumed
* gromacs : patched pme load balancing
* gromacs : added plumed
 2016-08-09 09:23:53 +02:00
Ben Boeckel
6fd45520da deptypes: mark deptypes in packages 2016-07-14 16:21:46 -04:00
Todd Gamblin
e7ced54369 Correct LLNL LGPL license template for clarity. 2016-05-11 21:22:25 -07:00
alalazo
30c3047482 gromacs : added package 2016-02-19 12:39:38 +01:00