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Commit Graph

36 Commits

Author SHA1 Message Date
Yuanqi Wang
8bda848cb9 LAMMPS: Fix USER-REAXC package variant (#14192) 2019-12-17 12:35:06 -06:00
David M. Rogers
552ffed171 Updated LAMMPS package to use gpu and kokkos options. (#13886) 2019-11-25 13:22:31 -06:00
Adam J. Stewart
2264e30d99
Update URL parsing regexes and tests (#13411) 
* Update URL parsing regexes and tests

* Get rid of no longer used README

* Merge py-udunits and py-cf-units

* netcdf -> netcdf-c

* setup_environment -> setup_*_environment

* Fix doc tests

* Few last minute fixes

* Simplify prefix removal copypasta
 2019-10-28 20:27:54 -05:00
Todd Gamblin
62927654dd checksums: use sha256 checksums everywhere 
We'd like to use a consistent checksum scheme everywhere so that we can:

    a) incorporate archive checksums into our specs and have a
       consistent hashing algorithm across all specs.

    b) index mirrors with a consistent type of checksum, and not one that
       is dependent on how spack packages are written.

- [x] convert existing md5, sha224, sha512, sha1 checksums to sha256
 2019-10-12 07:19:43 -07:00
Christoph Junghans
41c917b6e6 lammps: add version 20190807 (#12424) 2019-08-14 17:35:24 -05:00
Seth R. Johnson
3d0b5bd541 Change dependencies to use virtual jpeg package (#12179) 
This prevents conflicts between descendents that depend on an unintentional
arbitrary jpeg implementation.
 2019-07-29 12:08:55 -05:00
marvinbernhardt
4f2144a68e added jpeg,png,ffmpeg variants to lammps (#10404) 2019-06-12 21:02:20 -06:00
Jeffrey Salmond
9c1c50fb76 add openmp variant to lammps (#11643) 
* add openmp variant to lammps

* add conflict for %gcc@9: and +openmp
 2019-06-07 06:43:13 -06:00
Christoph Junghans
8fd64dfa08 lammps: added v20190605 (#11638) 2019-06-05 19:07:33 -05:00
Christoph Junghans
2af7688c55
parsplice: needs LAMMPS_EXCEPTIONS (#11500) 2019-05-17 08:57:35 -06:00
Todd Gamblin
6f50cd52ed copyright: update license headers for 2013-2019 copyright. 2019-01-01 00:44:28 -08:00
Christoph Junghans
0b42cf4d96 lammps: add new stable version (#10086) 2018-12-12 11:08:59 -06:00
Jon Rood
4c3091b05e Fixing problems with lammps dependencies voropp and latte (#9909) 
* Fixing problems with lammps dependencies voropp and latte.

* Always replacing CFLAGS in voropp and specifying voropp+pic dependency in lammps.
 2018-11-27 16:55:21 -07:00
Christoph Junghans
26e51ff170 lammps package: added new versions (#9868) 2018-11-16 14:52:26 -08:00
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
Christoph Junghans
ca2e1e9019 lammps: add v20180822 (#9081) 2018-08-23 12:17:27 -05:00
Adam J. Stewart
e948a54d8e All git URLs end in .git 2018-07-25 23:10:10 -07:00
Adam J. Stewart
4c6aca533a Add top-level attributes for hg, svn, and git A-L packages 2018-07-25 23:10:10 -07:00
Christoph Junghans
25062d0bd4
lammps: added v20180629 (#8695) 2018-07-17 11:13:04 -06:00
Todd Gamblin
8f2918813d Add tags for ECP applications that are in Spack. 
- All now have both 'ecp' and 'ecp-apps' tags.
- ECP ST projects will eventually also have ecp and ecp-software tags.
 2018-06-21 16:07:47 -07:00
Christoph Junghans
45ddfe83ef lammps: add v20180316 (#7725) 
* lammps: add v20180316

* add latte@1.1.1 and make lammps use it
 2018-04-10 20:21:35 -05:00
Todd Gamblin
54f97d1dec
Update copyright on LLNL files for 2018. (#7592) 2018-03-24 12:13:52 -07:00
Christoph Junghans
95b2738549 lammps: add version 20180222 (#7408) 2018-03-07 06:32:06 +01:00
vishalkenchan
392929ba77 lammps: add more packages (#6174) 
* lammps : adding new varients and dependencies therein

* Update package.py

* removing trailing whitespaces
 2017-11-08 09:01:14 -07:00
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
83ab062583 lammps: add user-omp package (#5486) 
* Simplify cmake arg generation
* Set -DFFT when kspace variant is enabled
 2017-09-27 12:46:58 -07:00
Christoph Junghans
64311e8510 lammps: add support of latte package (#5446) 2017-09-25 09:39:29 -07:00
Christoph Junghans
efcd8e6f7f lammps: fix checksum (#5342) 2017-09-18 15:18:27 -07:00
Christoph Junghans
effba3c95e lammps: version bump, switch to cmake (#5313) 2017-09-10 13:21:38 -10:00
Michael Kuhn
84ae7872d3 Update copyright notices for 2017 (#5295) 2017-09-06 17:44:16 -10:00
Christoph Junghans
6036a5a113 lammps: install headers (#5226) 
* lammps: install headers
* use prefix.include.lammps
 2017-08-28 16:33:30 -07:00
Massimiliano Culpo
9be294de31 Changed every 'fpic' variant to 'pic' (#4969) 
* Changed every 'fpic' variant to 'pic'. fixes #2463

Every variant that activates compilation of position independent code
has been changed to 'pic'. Hardcoded compiler flags in packages have
been substituted with `self.compiler.pic_flag`.

* Changed literal uses of '-fpic' to 'self.compiler.pic_flag'
 2017-08-04 18:21:43 +02:00
Todd Gamblin
cac4362f64 Make LICENSE recognizable by GitHub. (#4598) 2017-06-24 22:22:55 -07:00
Adam J. Stewart
ace890af49 Only configure requested lammps features (#3526) 
* Only configure requested lammps features

* Run configure from root and make from src
 2017-03-23 12:28:17 -05:00
Denis Davydov
a36ed7fb9b fix blas/lapack usage after PR 1875 (#3365) 2017-03-04 09:42:02 -06:00
Nicolas Richart
7c09ad5305 Boostrapping the lammps package (#3032) 
* First commit for the lammps package
* reviewed by adamjstewart and davydden
 2017-02-05 19:34:53 -08:00