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252 Commits

Author SHA1 Message Date
Steven J. Plimpton 1f65150e16 60 -> sm_60 for GPU_ARCH 2018-08-15 07:34:20 -06:00
Steven J. Plimpton 7ec52784cb more changes to doc pages and CMakeLists.txt 2018-08-14 15:44:25 -06:00
Richard Berger 64d539d9d2 Disable sin/cos check in CMakeLists.txt since it breaks KOKKOS CUDA support 2018-08-14 11:56:57 -04:00
Richard Berger 3384c683df Correct FFT_PACK in CMakeLists.txt 2018-08-14 11:41:22 -04:00
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
Richard Berger afbfaf0a8f Change LAMMPS_SIZE_LIMIT to LAMMPS_SIZES and use lower case values 2018-08-13 15:53:50 -04:00
Axel Kohlmeyer b33452040a correct FFT definitions in docs and make -DFFT_KISSFFT explicit in CMake 2018-08-10 17:27:40 +02:00
Axel Kohlmeyer ddd8533d81 make -DLAMMPS_MEMALIGN optional in CMake by checking of 0 alignment. also some rewording. 
this changes the CMake configuration file.
also, the special case of Windows not supporting posix_memalign() is documented.
some more explanations for FFTs and memory alignment are added
 2018-08-10 16:33:20 +02:00
Axel Kohlmeyer 4faeda28ee allow cross-compiling from linux to windows with cmake 2018-08-02 06:38:25 -04:00
Steve Plimpton eb967a8a6c
Merge pull request #1027 from akohlmey/move-cdeam 
Move pair style eam/cd from USER-MISC to MANYBODY
 2018-07-31 10:39:18 -06:00
Steve Plimpton bbaf522430
Merge pull request #1024 from akohlmey/cmake-dependencies-fixups 
Resolve object dependency problems for CMake build system
 2018-07-31 08:50:33 -06:00
Axel Kohlmeyer 24e293326d
Remove disabled line and add comment on package dependencies 2018-07-31 09:36:35 +02:00
Axel Kohlmeyer f3615e83e8 move pair style eam/cd from USER-MISC to MANYBODY and update docs accordingly 2018-07-31 09:18:37 +02:00
Axel Kohlmeyer ee822bec1b selectively handle dependency of qeq/fire on MANYBODY 2018-07-30 20:04:31 +02:00
Axel Kohlmeyer b02362b943 add manual treatment of source dependencies between USER-REAXC and USER-OMP 2018-07-30 19:09:16 +02:00
Axel Kohlmeyer 82c9e8a52c add explicit pattern based dependencies for CORESHELL packages, so KSPACE is no longer enforced 2018-07-30 18:56:56 +02:00
Axel Kohlmeyer 882e1e5138 resolve dependency problem between RIGID and USER-OMP package 2018-07-30 18:32:28 +02:00
Richard Berger 8fccf6b9b4 Use absolute paths for docenv 2018-07-28 23:31:50 -04:00
Richard Berger 99985a1d5b Add profile.d files to set LAMMPS_POTENTIALS environment variable 2018-07-27 20:31:53 -04:00
Richard Berger 06335e77cb Ensure doc is built by default when enabled 2018-07-27 02:56:26 -04:00
Richard Berger 9ffd262039 Add CMake target for html documentation 2018-07-27 02:46:36 -04:00
Richard Berger c8b9a727e4 Add potential files to CMake install target 2018-07-27 00:35:08 -04:00
Axel Kohlmeyer 35ffa0a214 update MD5SUM entry in CMake build system 2018-07-23 12:36:29 -04:00
Richard Berger b819018084 Revert change to CMakeLists.txt which only works with 3.9+ 2018-06-29 15:31:15 -04:00
Axel Kohlmeyer ad4720ef00 make various compiler instrumentation flags "advanced" options 2018-06-29 01:00:20 -04:00
Axel Kohlmeyer 946bca82c5 add options to support GNU gcc sanitizers 2018-06-29 00:56:35 -04:00
Axel Kohlmeyer 85d7f7ddc9 Merge branch 'cmake_presets' of https://github.com/rbberger/lammps into collected-cmake-changes 2018-06-29 00:23:52 -04:00
Axel Kohlmeyer ee0e9f94f1 Merge branch 'cmake_misc' of https://github.com/junghans/lammps into collected-cmake-changes 2018-06-29 00:16:19 -04:00
Axel Kohlmeyer 9f1aabea50 Merge branch 'cmake-fix-check-for-installed' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:13:23 -04:00
Axel Kohlmeyer b3bc5fd823 Merge branch 'record-compile-flags' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:09:51 -04:00
Christoph Junghans 0df8587c18 cmake: make GPU_ARCH free form 2018-06-28 11:13:51 -06:00
Axel Kohlmeyer a043ddcb82
Merge branch 'master' into cmake_misc 2018-06-27 21:12:25 -04:00
Christoph Junghans a2b2507121 cmake: remove ENABLE_ALL option 2018-06-27 19:02:10 -06:00
Steve Plimpton 6bd5a3d69b
Merge pull request #935 from julient31/spin_origin 
Spin origin
 2018-06-27 16:58:27 -06:00
Richard Berger 20fe0cd9d0 Define CMake presets 2018-06-27 16:41:10 -04:00
Axel Kohlmeyer 38cdc1828d insert spin package into make and cmake build system 2018-06-27 15:29:24 -04:00
Christoph Junghans 9353569d30 cmake: add KOKKOS_ARCH to summary 2018-06-27 13:25:56 -06:00
Christoph Junghans 868f5711a2 cmake: fix summary for GPU 2018-06-27 13:23:35 -06:00
Christoph Junghans 7ffab9a228 cmake: added INJECT_KNL_FLAG option 2018-06-27 13:22:22 -06:00
Christian F. A. Negre bec82e4045 Added new checksum value 2018-06-25 14:23:44 -06:00
Axel Kohlmeyer 6a9251245c
update MD5 sum for latte-v1.2.0.tar.gz src archive 2018-06-25 09:43:37 -04:00
Christoph Junghans cb2cf5b773
cmake: fixed comment 2018-06-25 06:31:09 -06:00
Christoph Junghans c4d0994d5e
cmake: fixed a typo 2018-06-25 06:29:24 -06:00
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 264e4fd3b1 cmake: fix for <cmake-3.4 2018-06-22 17:05:55 -06:00
Christoph Junghans ce0f3daad6 cmake: don't include quiet packages in summary 2018-06-22 11:43:52 -06:00
Christoph Junghans cb7b23e220 cmake: add BUILD_EXE option 2018-06-22 11:11:09 -06:00
Christoph Junghans 3f17d33fbe cmake: add BUILD_LIB option 2018-06-22 11:06:12 -06:00
Christian F. A. Negre 2165a2aa9b Changed version on cmakelist and install.py 2018-06-22 10:04:20 -06:00
Christoph Junghans ac41cc2c9a cmake: add GPU_PREC status output 2018-06-22 09:02:10 -06:00