e4c7c23843
move sanitizer and iwyu configuration to Testing module and update iwyu
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this changes the iwyu configuration so that it will check for using
GNU or Clang only as supported compilers, enforces the necessary recording
of compilation commands in a json file and tweaks the "iwyu" target
to work around an issue with the current iwyu implementation by placing
the "native" runtime of the chosen compiler first
2021-04-24 11:09:09 -04:00
93691ca939
Merge pull request #2723 from rbberger/gpu_cmake
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CMake: Add missing defines to GPU kernel compilation
2021-04-23 21:19:20 -04:00
f47333bebf
Update MathJax to 3.1.4 hotfix version
2021-04-23 16:38:54 -04:00
4ccb4c9603
CMake: Add missing defines to GPU kernel compilation
2021-04-22 18:46:07 -04:00
53a0ded240
update MathJax version for CMake based doc build
2021-04-22 16:26:49 -04:00
eb85edfb3d
make naming of the compiled pace library consistent with those of other libs
2021-04-22 00:15:14 -04:00
7a97331e51
add support for Plumed2 version 2.5.7, 2.6.3, 2.7.1
2021-04-16 12:38:00 -04:00
2a81411029
use linux distro and version info to decide when to look for faster linkers
2021-04-14 20:01:46 -04:00
d5661e06ae
Detect linux distribution and version
2021-04-14 20:00:38 -04:00
ee38452f14
fix bug causing a failed download when using cmake -B <dir>
2021-04-12 14:52:17 -04:00
7b45b691f4
pair_pace.cpp: check that units are "metal"
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update ace-evaluator (download link + md5sum in cmake and make build systems): accept multilines comment at the beginning of potential.ace file
add first comment line for potentials/Cu-PBE-core-rep.ace
2021-04-09 13:31:40 +02:00
d1fd2f74d1
update PACELIB_URL (tackling some PGI warnings): v.2021.2.3.upd2
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update lib/pace/Makefile: -O3 optimization
2021-04-08 16:06:05 +02:00
d22d6ad45d
cmake/USER-PACE.cmake: update PACELIB_URL and PACELIB_MD5 (new source files with whitespaces)
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lib/pace: add Makefile, Install.py use make
remove the LICENSE from src/USER-PACE
2021-04-08 11:52:49 +02:00
0151fd00c2
correct CMake support for USER-PACE package and align with recent conventions for downloading external code
2021-04-07 17:37:30 -04:00
0496626533
Merge branch 'master' into feature/user-pace
2021-04-07 16:26:26 -04:00
717faa6515
correctly detect GPU package with CUDA api
2021-04-06 19:12:28 -04:00
00e4bdb2b7
Merge pull request #2692 from arghdos/master
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Porting to new default platform for AMD/HIP in ROCm 4.1
2021-04-06 14:39:30 -04:00
6a99f5b5c5
WIP:
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- no auto-download of user-pace src yet
- lib/pace/*.cpp,*.h are provided explicitly yet.
- implement CMake integration in USER-PACE.cmake and in CMakeLists.txt
2021-04-06 17:24:54 +02:00
94068cc4c7
Add missing GTEST_MD5
2021-04-05 16:17:41 -04:00
cbd439692e
Update cmake/Modules/Packages/KIM.cmake
2021-04-05 15:36:14 -04:00
d4550dbb4b
Update cmake/Modules/Packages/USER-SMD.cmake
2021-04-05 15:32:18 -04:00
2509190dae
Update cmake/Modules/YAML.cmake
2021-04-05 15:29:33 -04:00
88b9e99707
Update cmake/Modules/Packages/GPU.cmake
2021-04-05 15:26:58 -04:00
b718903efc
Update cmake/Modules/Packages/USER-PLUMED.cmake
2021-04-05 15:10:01 -04:00
8ccc19bb2a
Update cmake/Modules/Packages/LATTE.cmake
2021-04-05 15:05:48 -04:00
0277883fb2
Update cmake/Modules/Packages/USER-SCAFACOS.cmake
2021-04-05 15:05:48 -04:00
725332614a
Update cmake/Modules/Packages/MSCG.cmake
2021-04-05 15:05:47 -04:00
42ca8c5ba0
Update cmake/Modules/Packages/VORONOI.cmake
2021-04-05 15:05:47 -04:00
192ee276b1
Update cmake/Modules/Packages/KOKKOS.cmake
2021-04-05 15:05:47 -04:00
614411130b
Update cmake/Modules/Documentation.cmake
2021-04-05 14:44:27 -04:00
3b14606f06
Update cmake/Modules/MPI4WIN.cmake
2021-04-05 14:43:05 -04:00
8533bb17e7
Update cmake/Modules/OpenCLLoader.cmake
2021-04-05 14:36:38 -04:00
4e4a571dbd
Add advanced LAMMPS_DOWNLOADS_URL cmake option
2021-04-05 14:31:13 -04:00
e613da98d6
Merge pull request #2650 from akohlmey/plugin-loader
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New PLUGIN package with a LAMMPS plugin loader command
2021-04-02 15:08:44 -04:00
4c2fb7a431
Porting to new default platform for AMD/HIP in ROCm 4.1
2021-04-01 09:43:13 -05:00
1710fb86d3
when using INTEL_LR_THREADS from C++11 we must add the threads library
2021-03-18 20:33:36 -04:00
31009b0517
Merge branch 'master' into plugin-loader
2021-03-16 19:46:21 -04:00
d1b4af60a3
disable GPU binning via CUDPP by default and describe why
2021-03-16 11:58:47 -04:00
347db1458d
always link with libdl.so/.a or equivalent except on windows
2021-03-11 22:34:23 -05:00
88962784aa
silence warnings when compiling/linking the LAMMPS main object with nvcc_wrapper
2021-03-11 14:03:57 -05:00
441279d935
don't use custom debug library postfix for libOpenCL.a
2021-02-25 10:30:39 -05:00
7d1670d91c
cuda 11.0 does not support sm_86, it was added in 11.1
2021-02-23 14:23:54 -05:00
ce4dc4e2c6
Merge pull request #2617 from akohlmey/build-opencl-loader
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Build and link a static OpenCL ICD loader library by default instead of system OpenCL lib
2021-02-22 13:37:17 -05:00
4786391fad
must explicitly register fix gpu
2021-02-21 20:40:11 -05:00
e0e89c588b
correct library prefix name use also for building libyaml
2021-02-21 17:11:38 -05:00
db95552f2b
update md5sum for updated archive (again)
2021-02-21 16:42:30 -05:00
1a68d761a3
correct how to construct the path to the generated OpenCL lib
2021-02-21 16:21:45 -05:00
06f6766ed6
CMAKE_FIND_LIBRARY_PREFIXES is a path. must use plain "lib" instead, but there is a variable for the suffix
2021-02-21 16:20:36 -05:00
0c6671ad64
do not always add styles that depend on other packages
2021-02-21 11:06:58 -05:00
70327861b2
update for improved OpenCL stub driver with tests
2021-02-21 09:43:56 -05:00
