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51 Commits

Author SHA1 Message Date
Ryan S. Elliott 9d0e518cc5 Updates for kim-api-2.0.2 release 2019-03-28 15:35:22 -05:00
Axel Kohlmeyer b0a07f189c
must use top-level dir to get the correct modified status 2019-03-25 21:18:17 -04:00
Christoph Junghans 414f9b25d1 cmake: move lmpgitversion generation to build phase 2019-03-23 08:01:41 -06:00
Axel Kohlmeyer e6df92e65a
Merge pull request #1011 from ellio167/kim-v2-update 
KIM v2 update
 2019-02-21 20:06:59 -05:00
Richard Berger f25b06fab0 Fixes part of issue #1278 
Moving a style header or touching it will now trigger a reconfiguration before
building, which triggers style files to be regenerated.
 2019-02-17 20:53:21 -05:00
Ryan S. Elliott e95cf4e917 Some various doc updates for kim-api support 2019-02-14 13:38:28 -06:00
Ryan S. Elliott dd61ded311 Update cmake build to work with cmake-based KIM 2018-11-05 09:31:21 -06:00
Ryan S. Elliott 1b98c0e40d Merge remote-tracking branch 'lammps/master' into kim-v2-update 2018-10-30 18:40:55 -05:00
Richard Berger 27a46cec8c Add src directory to PreventInSourceBuilds checks 2018-10-19 17:25:18 -04:00
Ryan S. Elliott f61f43a56b Merge branch 'master' into kim-v2-update 2018-10-01 21:17:26 -05:00
Christoph Junghans 2da999d864 cmake: prevent in-source build 2018-09-27 12:18:43 -06:00
Christoph Junghans 861a7acdf0 cmake: fix globbing in some more places 2018-09-07 06:40:06 -06:00
Richard Berger ad498811b1 cmake: add missing fix_omp.h and fix_omp.cpp to compilation 2018-09-05 16:04:35 -04:00
Steve Plimpton 78301e5e93 Merge branch 'master' into cslib 2018-08-31 16:30:28 -06:00
Richard Berger dbc0f0eea0 Ensure generated style headers are sorted 2018-08-27 12:17:57 -04:00
Steven J. Plimpton 89a3670fb5 merge master into cslib branch, update docs 2018-08-22 11:19:55 -06:00
Ryan S. Elliott d0667d21cc Merge branch 'master' into kim-v2-update 2018-08-18 12:23:19 -05:00
Richard Berger 13bb02b100 Updated CMake build for USER-INTEL 
- Removed differences between MAKE/OPTIONS/Makefile.intel_cpu/coprocessor and
  CMake compilation and added INTEL_ARCH to select between CPU and KNL.
- Added some sanity checks for requirements
- Added FindTBB
 2018-08-13 19:58:54 -04:00
Axel Kohlmeyer bc8939a08b more corrections/rewrites/additions for OpenMP, QM/MM and USER-QUIP 2018-08-10 15:55:32 +02:00
Steven J. Plimpton c2c654c87b CMake additions to new MESSAGE package 2018-07-24 11:44:15 -06:00
Ryan S. Elliott 955fe583d8 Updated docs for new pair_kim 2018-07-11 15:09:57 -07:00
Richard Berger e0dc53ab3f Simplify CreateStyleHeader CMake utility 2018-06-28 14:22:37 -04:00
Richard Berger 206d349d5b Simplify DetectBuildSystemConflict CMake utility 2018-06-28 14:16:56 -04:00
Richard Berger e2c03f0596 Simplify build system conflict checks 
- removes redundant code for conflict checks
- updates and expands original check to report fatal error instead of ignoring
  files
- removes obsolete DetectAndRemovePackageHeader and RemovePackageHeader utility
  functions which are no longer needed
- adds utility function DetectBuildSystemConflict, which loops over files and
  reports an error if they exist in the lammps src directory.
- updates definition of LAMMPS_SOURCE_DIR, LAMMPS_LIB_SOURCE_DIR and
  LAMMPS_LIB_BINARY_DIR to be absolute paths. This improves instructions in
  error messages
 2018-06-25 03:09:42 -04:00
Christoph Junghans b2da3ca3e9 cmake: add DOWNLOAD_MSCG option 2018-05-17 17:23:54 -06:00
Christoph Junghans d43c556263 cmake: fix typo and added summary for KSPACE package 2018-05-10 16:11:10 -06:00
Christoph Junghans a25895d31d cmake: add FFT_SINGLE option 2018-05-10 12:52:04 -06:00
Christoph Junghans 4f762deff8 cmake: drop FFTW2 support 2018-05-10 12:37:11 -06:00
Richard Berger b9184ef441 Add special KOKKOS styles individually 
This avoids unnecessary dependencies
 2017-12-20 04:51:46 -05:00
Richard Berger ff2b61354d Bugfix for building LAMMPS+KOKKOS+DPD with CMake 
Resolves issue #753, but there might be more work ahead.
 2017-12-20 03:17:40 -05:00
Christoph Junghans 17aeccf19f Merge remote-tracking branch 'origin/master' into latte 2017-09-15 16:18:13 -06:00
Christoph Junghans 66f59f9ec0 FindLATTE.cmake: fixed a typo 2017-09-13 15:51:03 -06:00
Richard Berger ff18cff46b Merge branch 'cmake_pkg_libs' into cmake_improvements 2017-09-08 23:34:59 -04:00
Richard Berger 8a06a7bc6b Add OpenCL support to CMake build 2017-09-08 22:20:47 -04:00
Christoph Junghans fce633aa5f cmake: tweaks for EXAALT superbuild, add latte_fix 2017-09-08 11:33:49 -06:00
Richard Berger aef2416ece Simplify CMake script 2017-08-20 10:49:30 -04:00
Richard Berger c9d41dbb47 Ignore installed package files when using cmake 2017-08-19 06:33:27 -04:00
Christoph Junghans babba1870e added FFTW2 support 2017-07-19 15:33:02 -06:00
Christoph Junghans 2961ba7ebb added MKL support 2017-07-19 10:35:48 -06:00
Christoph Junghans 7605f72c9a finish USER-QMMM 2017-07-16 22:37:51 -06:00
Christoph Junghans 22ecd9b8d2 started on USER-QMMM 2017-07-16 22:07:21 -06:00
Christoph Junghans fa0f8a9e2a added USER-QUIP 2017-07-16 21:31:57 -06:00
Christoph Junghans b6385d6ce2 add OpenKIM support 2017-07-16 20:17:41 -06:00
Christoph Junghans c549a16a85 enable REPLICA RIGID SHOCK SNAP SRD VORONOI 2017-07-16 11:30:09 -06:00
Richard Berger b15f75d37b Merge branch 'cmake' of github.com:junghans/lammps into cmake 2017-07-14 22:08:06 -05:00
Richard Berger 5e841bfe15 Added USER-OMP support to CMake build 2017-07-14 22:07:53 -05:00
Christoph Junghans d079b2f758 CreateStyleHeader: use temp file 2017-07-14 18:37:06 -06:00
Christoph Junghans 54f2b02ac8 cmake: fix install 2017-07-14 18:33:27 -06:00
Richard Berger c7e218f310 Merge branch 'cmake' of github.com:junghans/lammps into cmake 2017-07-14 18:06:27 -05:00
Richard Berger 335ef11a7b Added style header generation with CMake 2017-07-14 17:49:05 -05:00