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23 Commits

Author SHA1 Message Date
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
William Scullin
3d8d3e8882 qmcpack: new package (#4907) 
This adds QMCPACK along with patches to Quantum Espresso for using Quantum Espresso in QMCPACK workflows.
 2017-10-06 13:51:18 -07:00
Michael Kuhn
84ae7872d3 Update copyright notices for 2017 (#5295) 2017-09-06 17:44:16 -10:00
Massimiliano Culpo
581f70ff6f Added custom messages for conflicts directive. fixes #4965 (#5083) 
Users can now add an optional custom message to the conflicts directive.
Layout on screen has been changed to improve readability and the long
spec is shown in tree format. Two conflicts in `espresso` have been
modified to showcase the feature.
 2017-08-21 09:20:07 -07:00
Todd Gamblin
cac4362f64 Make LICENSE recognizable by GitHub. (#4598) 2017-06-24 22:22:55 -07:00
Massimiliano Culpo
9defe2c1c2 espresso: fixed compilation for 6.1 (elpa) and added support for hdf5 (#4483) 
* espresso: fixed compilation for 6.1 (elpa) and added support for hdf5

* espresso: addressed items in @davydden review

* espresso: fixed behavior for espresso@:5.4.0
 2017-06-13 10:22:12 -05:00
Denis Davydov
eaefaaba5b espresso: add 6.1.0 (#3881) 
* espresso: fix missing dependency on elpa, add 6.1.0

* override default libs of elpa to get shared always
 2017-04-19 12:34:42 +02:00
Mayeul d'Avezac
3d1c92e22c Update espresso recipe to track change in spack internals (#1734) 2016-09-21 04:18:35 -07:00
Adam J. Stewart
1be6267149 Undo changes to trailing triple quotes in docstring 2016-08-30 16:28:55 -05:00
Adam J. Stewart
eb56744f4d Fix package docstrings, #1612 2016-08-30 15:29:50 -05:00
Todd Gamblin
62b2f2a7c9 Merge pull request #1065 from epfl-scitas/packages/espresso_update 
espresso : update to 5.4.0
 2016-06-17 14:51:45 -07:00
alalazo
a1cbb73f8b qa : fixed flake8 issues 2016-06-16 11:24:18 +02:00
alalazo
8d9ffcf565 espresso : updated to 5.4.0, added Parallel=False 2016-06-16 11:22:26 +02:00
Todd Gamblin
76dfaa71a7 fix up packages for new architecture. 2016-06-16 01:47:20 -07:00
Todd Gamblin
e7ced54369 Correct LLNL LGPL license template for clarity. 2016-05-11 21:22:25 -07:00
Mayeul d'Avezac
7430f9142f Can install espresso on OS/X 
Espresso uses unix utility `find dir -name \*.x` to determine the executable to
install. On OS/X, it also finds a bunch of debug symbols associated
with the exectuble. These files have the same name, but are in a
different directory. So the install process is done by hand in the
package.py file, for OS/X.
 2016-03-31 10:16:40 +01:00
Mayeul d'Avezac
397e0d1368 Fixes #454 in a simpler way than 34a8f0c 
Rather than mess with the environment, have espresso install into the
right directory (prefix/bin).
 2016-03-31 10:12:20 +01:00
alalazo
34a8f0c96b espresso : fixes #454 2016-03-23 17:01:52 +01:00
Massimiliano Culpo
70985170e5 qe : compiled on rhle6 2016-02-12 12:08:31 +01:00
alalazo
e8704433de espresso : added directories to search path 2016-02-11 18:57:40 +01:00
alalazo
b272a8881b espresso : fixed dependency handling 2016-02-11 18:18:05 +01:00
alalazo
ca3cdb4458 espresso : current working tree 2016-02-11 17:45:09 +01:00
alalazo
157ec210a7 espresso : synchronized with current develop 2016-02-11 13:05:31 +01:00