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lammps
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Commit Graph

337 Commits

Author SHA1 Message Date
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
Christoph Junghans d5dcb3d329 add support for KSPACE 2017-07-14 15:55:36 -06:00