c76b79f021
chance test for OpenMP default setting to be compatible with CMake 2.8.x
2019-06-03 19:36:28 -04:00
9d51ee17b0
change the default for gcc 9.x and beyond to not enable OpenMP by default even if it is found to be supported
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this is so that using CMake by default will compile LAMMPS, since gcc 9.x
expects different sharing semantics for constants than previous versions.
2019-05-30 22:23:50 -04:00
daac3f7102
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
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Improved error messages when a style is not found
2019-05-30 06:34:56 -04:00
4dc90b367e
Merge pull request #1458 from wmbrownIntel/user-intel-bigbig
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USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload.
2019-05-14 15:09:06 -04:00
a26dc1b356
allow using -DLAMMPS_BIGBIG also with CMake
2019-05-14 14:35:41 -04:00
66f7f2a5ef
pass more cmake settings to LATTE downloaded library build
2019-05-04 15:11:53 -04:00
d7da1db745
teach CMake that verlet/lrt/intel depends on KSPACE
2019-05-01 08:20:24 -04:00
99430767df
Start devel of native support for KIM simulator models
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* CMake change to use KIM-API SimulatorModels branch
* Minimal changes to pair_kim to illustrate use of KIM API
interface. Only c++ interface is implemented for development.
* Added example input: in.kim.simulator-model
2019-04-30 21:48:50 -05:00
7fbd409f5b
Fix GenerateOpenCLHeader CMake utilitiy to avoid uncompilable CL code
2019-04-30 12:59:27 -04:00
66d94572e0
Add missing includes to OpenCL CMake builds of re_squared and tersoff kernels
2019-04-30 01:37:27 -04:00
2e9404acdf
Fix typo [skip ci]
2019-04-15 16:06:36 +09:00
db74f14f33
Merge branch 'master' into report-uninstalled-pkg-style
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# Conflicts:
# cmake/CMakeLists.txt
2019-04-08 17:16:30 -04:00
69c1a7954a
correct test for leftovers from conventional builds
2019-04-08 17:14:59 -04:00
dc40886d23
improve comments and formatting
2019-04-08 06:40:39 -04:00
6ee002d6cf
add cmake support for enhanced missing style error reports
2019-04-07 22:32:31 -04:00
8c4a497af4
set default to automatically download scafacos lib if not found
2019-04-07 06:10:39 -04:00
e57e4a730b
more packages with default-to-download-if-lib-not-found
2019-04-07 00:45:57 -04:00
1dd21e6e0c
make downloaded LATTE library use the same BLAS/LAPACK as LAMMPS
2019-04-06 23:44:27 -04:00
a6c9a782a4
add manpage for msi2lmp
2019-04-06 23:41:48 -04:00
3b43fc3ea7
install msi2lmp force field files and set environment variable, so they can be found automatically
2019-04-06 20:41:00 -04:00
b25657c67b
trigger download by default if not found for LATTE package/library
2019-04-06 17:49:56 -04:00
72b69783de
add download-default-if-not-found logic to voro++ library for VORONOI package
2019-04-06 17:17:17 -04:00
59a4d42231
make default CMake setting for DOWNLOAD_KIM depend on whether the KIM API is found or not
2019-04-06 16:47:48 -04:00
e8289b0024
Merge branch 'find-kim-fix' of https://github.com/ellio167/lammps into collected-small-changes
2019-04-06 16:28:48 -04:00
47b7437976
Have FindKIM-API.cmake work in QUIET mode
2019-04-06 15:08:15 -05:00
6643a4ec92
Fixup FindKIM-API.cmake and clean up some v2 remnants
2019-04-06 14:20:21 -05:00
9334c72c04
clang can be installed supporting OpenMP without having omp.h installed: add check
2019-04-06 08:59:06 -04:00
f10534a721
add code to build msi2lmp with CMake
2019-04-05 23:56:23 -04:00
d17553d8d2
add preset to make it easier to use clang with OpenMP and MPI
2019-04-05 16:52:28 -04:00
c52a330a79
update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script
2019-04-04 14:19:53 -04:00
7372e8fde1
must add STUBS_MPI to cslib includes when compiling without MPI
2019-04-03 00:41:03 -04:00
a149fdb420
forgot MESSAGE package in all_on/off.cmake preset
2019-04-02 23:19:37 -04:00
b1070f4703
must add USER-SCAFACOS to nolib.cmake preset, as it requires GSL
2019-04-02 23:10:59 -04:00
6411ff8359
transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration
2019-04-02 17:25:26 -04:00
978b52ee8c
add warning/status messages about skipping TBB malloc and MKL RNG
2019-04-02 15:06:56 -04:00
5a75125426
add some popular packages requiring libraries to most.cmake preset
2019-04-02 14:30:34 -04:00
cb5c3f900e
add minimal.cmake and most.cmake presets
2019-04-02 12:41:12 -04:00
74ce164457
restore lost edit to all_on.cmake and all_off.cmake that syncs the list of packages
2019-04-02 12:06:51 -04:00
764fb2522b
abort already in cmake when including USER-INTEL with -DLAMMPS_BIGBIG
2019-04-02 11:21:25 -04:00
ef184c9b1b
remove presets, that try to mimic settings from the conventional build, but make little sense with cmake
2019-04-02 09:34:03 -04:00
800f3a81b1
update documentation for changes in USER-INTEL support in CMake
2019-04-02 06:59:19 -04:00
c044eeb482
update nolib.cmake and change it so it disables all packages requiring some external library or equivalent
2019-04-01 22:23:36 -04:00
2fc7395c14
add some comments to updated all-on / all-off presets
2019-04-01 22:22:31 -04:00
b1badb6555
update all-on and all-off presets for recently added and removed packages
2019-04-01 22:09:58 -04:00
200aa2d06f
missed a few packages in cross-compiler preset
2019-04-01 18:50:53 -04:00
3a0b108f91
reformat
2019-04-01 18:22:06 -04:00
76b848bb0a
include USER-INTEL, but need to disable support for LRT mode
2019-04-01 17:58:19 -04:00
70ae5f41e3
tweaks for compiling USER-INTEL in cpu mode on Windows with GCC
2019-04-01 17:46:25 -04:00
a7bb772db7
Merge branch 'refactor-user-intel-cmake' into collected-small-changes
2019-04-01 17:39:43 -04:00
8d8f0af7a6
add download flags to mingw preset
2019-04-01 17:38:53 -04:00
