024a91c751
Add documentation on how to compile GPU package with HIP using CMake
2020-04-10 14:50:10 -04:00
4f8a1583b9
Restore --arch line removed during debugging
2020-04-10 14:25:46 -04:00
195e453d17
Add HIP configuration output
2020-04-10 14:24:26 -04:00
b7a2b375c6
Add includes and linked libs for HIP_PLATFORM=nvcc
...
Do not set CMAKE_CXX_COMPILER=hipcc in the NVCC case since it causes
all sorts of problems. Instead we use the regular host compiler and
set the necessary include and link paths.
2020-04-10 12:45:39 -04:00
6381940b9a
Attempt to get ROCm CUDA working with CMake
2020-04-09 13:53:41 -04:00
e7a8de0368
Add container with both ROCm and CUDA
2020-04-09 13:28:56 -04:00
1c94415d1f
Remove whitespace
2020-04-08 13:57:12 -04:00
438ee4d75b
Merge remote-tracking branch 'origin/master' into gpu_hip
2020-04-08 13:49:41 -04:00
b74aabf05c
Merge pull request #1956 from junghans/cmake_clean_up
...
cmake: major refactor of CMake support to take advantage of CMake 3.10 and beyond.
2020-04-08 12:52:06 -04:00
459c1bbf63
Merge branch 'master' into cmake_clean_up
2020-04-07 16:17:33 -04:00
4b6dcb3452
LAMMPSConfig.cmake.in: add support for some more packages
2020-04-06 14:51:44 -06:00
bb9ffe2edc
simple.c: fix lammps include
2020-04-06 14:15:47 -06:00
5da96f4574
LAMMPSConfig.cmake: add support for PKG_USER-SCAFACOS and PKG_PYTHON
2020-04-06 12:10:39 -06:00
6c8161b2a3
cmake: remove wrongly added warning about downloading
2020-04-06 12:10:00 -06:00
01cd32ebc2
Merge pull request #1972 from akohlmey/collected-small-changes
...
Collected small changes for the next patch
2020-04-06 10:22:20 -04:00
f3e1db4174
one more false positive
2020-04-06 08:45:22 -04:00
56c07cec26
handle not previously flagged false positives
2020-04-06 08:28:12 -04:00
73aeb74c2a
LAMMPSConfig: more fixes for static liblammps
2020-04-05 20:51:02 -06:00
2d92d8f8c6
LAMMPSConfig.cmake: fix linking against FFTW3
2020-04-05 20:06:56 -06:00
592a5fac53
fix bugs in doc makefile
2020-04-05 21:56:55 -04:00
f0817321f9
LAMMPSConfig.cmake.in: improve static lib case
2020-04-05 19:52:28 -06:00
97b11ea746
enforce using sphinx version 2.4.4, install spellchecker with all other sphinx tools
2020-04-05 21:36:06 -04:00
d8402b6249
KIM.cmake: doesn't require MPI
2020-04-05 19:24:12 -06:00
b9c747b680
KIM.cmake: indentation
2020-04-05 19:01:17 -06:00
d568fea7c3
cmake: derive LAMMPS_API_DEFINES from lammps target properties
2020-04-05 18:58:16 -06:00
1b87ce04ee
cmake: fix a typo
2020-04-05 15:40:15 -06:00
ac393ca38d
GPU.cmake: use OpenCL imported target
2020-04-05 15:37:17 -06:00
a77166379b
cmake: remove old comment
2020-04-05 15:23:23 -06:00
6b199f502c
cmake: add error for downloading with <=cmake-3.11
2020-04-05 15:14:30 -06:00
9003553384
cmake: move OpenCL handling under Windows in GPU.cmake
2020-04-05 15:12:40 -06:00
e18439f387
cmake: make more include files consistent
2020-04-05 15:03:25 -06:00
1988a2a725
cmake: make USER-H5MD.cmake consistent
2020-04-05 14:58:54 -06:00
9aa6d04997
cmake: move if(PKG_) out of cmake file
2020-04-05 14:57:06 -06:00
5411ae698f
KSPACE.cmake: use MKL imported target
2020-04-05 14:39:13 -06:00
e8317b2f6b
cmake: don't use PythonInterp on new cmake
2020-04-05 11:53:43 -06:00
909b2dcff8
PYTHON.cmake: don't use PythonLibs on new cmake
2020-04-05 11:43:54 -06:00
6f5fcd66ac
cmake: check flags in CMAKE_TUNE_FLAGS
2020-04-05 08:58:34 -06:00
4e0eb0c501
no more need to set compiler flags for intel compiler in preset
2020-04-03 21:24:45 -04:00
5c0e8a6b0d
cmake: add options to summary
2020-04-03 15:24:11 -06:00
c54bb316b8
USER-INTEL.cmake: remove duplicated injection of GNU flags
2020-04-03 14:25:43 -06:00
1daa4ce374
USER-INTEL.cmake: add_compile_options -> target_compile_options
2020-04-03 14:24:27 -06:00
9df26bca55
cmake: export lmp executable as well
2020-04-03 13:39:28 -06:00
cab260f3ab
cmake: fix mpi default on Windows
2020-04-03 09:57:14 -06:00
b83c98db14
USER-INTEL.cmake: clean up, create imported targets
2020-04-03 09:50:28 -06:00
a2353dfc50
cmake: removed unused FindTBB.cmake
2020-04-03 09:25:09 -06:00
bdc83020f0
cmake:LAMMPS::MPI -> MPI::MPI_CXX
2020-04-03 09:24:47 -06:00
8bcdc86d0f
properly pass --enable-stdcall-fixup when linking on windows with mingw cross-compiler
2020-04-03 10:16:20 -04:00
2df524d782
USER-INTEL.cmake: fix TBB_MALLOC warning
2020-04-03 07:23:03 -06:00
e53e443e21
add singularity description file for Ubuntu 20.04 LTS
2020-04-02 21:52:20 -04:00
8b61aed3cb
update/order list of require texlive packages
2020-04-02 21:51:52 -04:00
