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292 Commits

Author SHA1 Message Date
Richard Berger 30d45e6773 Ensure MESSAGE files are added to CMake compilation 2018-08-28 15:22:43 -04:00
Richard Berger cb318f55e9 Add missing or lost cmake changes 2018-08-28 10:11:16 -04:00
Steven J. Plimpton 33d5fe457c re-merge with current master 2018-08-24 09:57:08 -06:00
Christoph Junghans a10bb4b96f cmake: fix link issue with --as-needed 2018-08-23 15:02:36 -06:00
Steven J. Plimpton 4e13ce1d25 add back in MESSAGE package info in CMakeLists.txt 2018-08-22 11:21:14 -06:00
Steven J. Plimpton 89a3670fb5 merge master into cslib branch, update docs 2018-08-22 11:19:55 -06:00
Christoph Junghans fd788e5bbd
cmake/README.md: add BUILD_EXE option 2018-08-21 09:25:06 -06:00
Christoph Junghans 353c004d6c cmake: required v3.7 for some DOWNLOAD options 2018-08-20 10:07:49 -06:00
Richard Berger 4c3bd3909e Add missing source file for KOKKOS with KSPACE 2018-08-16 18:49:45 -04:00
Christoph Junghans 481924fccc
Update CMakeLists.txt 2018-08-16 05:50:10 -06:00
Christoph Junghans 71227cb3c6 cmake: convert INTEL_ARCH to upper 2018-08-15 18:06:41 -06:00
Christoph Junghans 2137668c35 cmake: convert FFT and INTEL_ARCH 2018-08-15 16:30:21 -06:00
Steve Plimpton ccacf0d4bb
Merge pull request #1048 from lammps/doc-reorg-start 
Documentation Refactoring: Section Start
 2018-08-15 15:25:17 -06:00
Richard Berger b9e2b26b65 Simplified change 2018-08-15 12:22:06 -04:00
Richard Berger 023c8e5d6e Correct option values to lower case in README.md 2018-08-15 11:31:22 -04:00
Richard Berger 1776ade72e Update CMake README.md 2018-08-15 11:23:02 -04:00
Richard Berger 3bb8fefb12 Little tweak to error message 2018-08-15 10:57:45 -04:00
Richard Berger 60c9477e96 Add option validation and remove extra variables in CMakeLists.txt 2018-08-15 10:50:51 -04:00
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
Richard Berger 135b877161 Make sure -fPIC is passed to ExternalProject VORO if BUILD_SHARED_LIBS=on 2018-08-10 15:01:46 -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 bc8939a08b more corrections/rewrites/additions for OpenMP, QM/MM and USER-QUIP 2018-08-10 15:55:32 +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 fa9b46fb40 Add BUILD_DOC option to CMake README.md 2018-07-29 00:08:20 -04:00
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
Steven J. Plimpton c2c654c87b CMake additions to new MESSAGE package 2018-07-24 11:44:15 -06:00
Axel Kohlmeyer 35ffa0a214 update MD5SUM entry in CMake build system 2018-07-23 12:36:29 -04:00
Christoph Junghans 4ac47ba037 cmake/README.md: fix GPU_ARCH options 2018-07-12 07:27:11 -06:00
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