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
b7aecc0d59
avoid linking with -ldl on windows, as it is not needed or supported
2019-04-01 17:22:53 -04:00
3bf4cd9c01
major refactor of USER-INTEL support in CMake
...
- decouple from USER-OMP
- decouple from OpenMP support
- make MKL and TBB optional
- support compilers other than Intel (but print warning about bad performance)
- expose Long-range thread support selection to CMake
- fix bugs and typos and add missing code, so that it actually compiles and includes all styles
2019-03-31 17:17:07 -04:00
4d3c1785c6
add utility function to add custom integrate style
2019-03-31 17:12:11 -04:00
fa407c05a1
neither KOKKOS nor USER-INTEL require OpenMP; they can be built without
2019-03-31 15:00:53 -04:00
a28ae7c2c0
Rename FindKIM-API.cmake.in to FindKIM-API.cmake
...
Fixes : #1396
2019-03-30 13:56:02 -05:00
17cd650622
Merge branch 'master' into collected-small-changes
2019-03-29 11:35:15 -04:00
1bf5047c7a
document new CUDA_MPS_SUPPORT option in CMake
2019-03-28 18:03:54 -04:00
747ddf2642
expose -DCUDA_PROXY define to CMake so that the GPU package can be used with nvidia MPS proxy server
2019-03-28 17:15:05 -04:00
9d0e518cc5
Updates for kim-api-2.0.2 release
2019-03-28 15:35:22 -05:00
2ad9355140
Merge pull request #1383 from akohlmey/final-changes-for-patch
...
Several small changes and tweaks for patch release
2019-03-27 17:00:56 -04:00
e63d2cee87
Merge pull request #1375 from akohlmey/install-python-for-cmake
...
Refactor python module installer and add install-python target to CMake
2019-03-27 16:47:25 -04:00
3867972ae8
make PYTHON_INSTDIR a cached variable and implement changes suggested by @junghans
2019-03-26 22:08:53 -04:00
07a6749ddc
install LAMMPS python module with either install-python or install target if prerequisites are given
2019-03-26 16:00:48 -04:00
b0a07f189c
must use top-level dir to get the correct modified status
2019-03-25 21:18:17 -04:00
2f20581b29
Merge pull request #1374 from akohlmey/collected-small-fixes
...
Collected small changes for the next patch release
2019-03-25 13:15:45 -04:00
5d54e888d5
Merge pull request #1371 from akohlmey/add-kim-query
...
Add kim_query command to KIM package
2019-03-25 13:15:20 -04:00
414f9b25d1
cmake: move lmpgitversion generation to build phase
2019-03-23 08:01:41 -06:00
52f9e4a960
allow overriding the location of the molfile plugin headers with CMake
2019-03-22 14:11:02 -04:00
e50c269a6b
add install-python target with suitable error message also when not building a shared library
2019-03-22 12:51:57 -04:00
04f999fdd6
add install-python target to CMake build system. decouple python module install from python package
2019-03-22 12:35:21 -04:00
fed48427be
update lib/kim/Install.py to support md5 checksum. update CMake support as needed
2019-03-19 15:48:03 -04:00
