cdb4a331a6
remove INTEL package from cross-compiler config.
...
It doesn't do much goos since we're not using an Intel compiler
and we are running out of capacity for auto-exported symbols
for the LAMMPS shared library (limited to 65k).
2024-06-27 06:27:58 -04:00
487a9ae73e
return to alphabetical order
2024-06-23 03:09:54 -04:00
0e28eb0348
Make sure CMAKE_INSTALL_FULL_LIBDIR is defined when using it
2024-06-22 23:28:05 -04:00
71c5e04121
Merge pull request #4179 from akohlmey/collected-small-changes
...
Collected small changes and fixes
2024-06-19 17:39:57 -04:00
cb0af02748
Merge pull request #4193 from akohlmey/extra-command-package
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Create new EXTRA-COMMAND package
2024-06-19 15:06:20 -04:00
778d11c79e
Merge remote-tracking branch 'github/develop' into collected-small-changes
2024-06-19 14:46:04 -04:00
629a9cbe3d
Merge pull request #4188 from Eddy-Barraud/dpd_charged
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add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
2024-06-19 13:50:46 -04:00
9b419b669d
Merge pull request #4192 from gtribello/fix-plumed-cmake
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Update to Plumed interface
2024-06-19 12:03:43 -04:00
ef902b03f9
Merge branch 'develop' into collected-small-changes
2024-06-19 12:02:56 -04:00
4e0bf6137d
Merge pull request #4110 from uf3/ml-uf3
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Implementation of pair_style uf3 and uf3/kk
2024-06-19 11:43:32 -04:00
f4005e350a
update fix plumed API version check and add reminder comments to build files
2024-06-17 07:11:56 -04:00
8eec17d409
add missing file for CMake build
2024-06-13 09:26:23 -04:00
397dc9a7f6
build system and maintenance updates
2024-06-13 09:13:55 -04:00
d61c94c0f3
move group2ndx and ndx2group to new EXTRA-COMMAND package. update docs.
2024-06-10 14:14:36 -04:00
77c04d3827
cosmetic changes
2024-06-10 09:15:14 -04:00
43ce6b018a
update Plumed support for version 2.8.4 and 2.9.1
2024-06-09 01:30:35 -04:00
34a037ccfb
workaround for xdg-open and incompatible shared libs
2024-06-02 09:41:58 -04:00
345d559a37
Merge branch 'master' into fix-plumed-cmake
2024-05-26 11:51:35 +01:00
3805a01448
Update CMake
2024-05-15 14:42:01 -06:00
9e755cd0af
Merge branch 'lammps:develop' into ml-uf3
2024-05-13 15:10:58 -04:00
a2616630b5
update OpenCL ICD loader source to latest release
2024-05-09 07:18:50 -04:00
42a4e63061
Merge branch 'lammps:develop' into ml-uf3
2024-04-17 16:45:33 -04:00
329d546eea
Merge pull request #4078 from jmgoff/pace-mliap
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Update ML-IAP for ACE support
2024-04-16 22:42:17 -04:00
01b1d047a2
Merge branch 'lammps:develop' into ml-uf3
2024-04-13 18:56:07 -04:00
1b71576b6f
Update CMake and docs
2024-04-05 09:09:44 -06:00
7e09353e7c
add ML-UF3 to compatible CMake preset files
2024-03-27 06:28:23 -04:00
9a23ddf88a
Added ml-uf3 to cmake and make files
2024-03-25 12:08:51 -04:00
e4035dd9d5
correct CMake script logic
2024-03-22 23:19:38 -04:00
cb1e18256e
Merge branch 'lammps:develop' into pace-mliap
2024-03-22 16:35:31 -06:00
8d4a384f34
Improve cuFFT detection in CMake, similar to HIP
2024-03-18 09:28:53 -06:00
af5c8bcd22
Merge branch 'develop' into pace-mliap
...
# Conflicts:
# src/ML-IAP/compute_mliap.cpp
2024-03-12 09:05:46 -04:00
6dcfcc1a83
Update CMake
2024-03-06 17:57:10 -07:00
e0c0b2fe7e
fix cmake syntax error
2024-03-05 15:28:21 -05:00
b22ce0f4be
use platform neutral CMake property to export symbols
2024-02-25 21:58:35 -05:00
725156753a
remove superfluous warning
2024-02-25 21:51:34 -05:00
86ea5271d6
portability
2024-02-25 21:19:13 -05:00
b8c8b4d19b
use -rdynamic for re-exporting symbols when using plugins
2024-02-25 21:11:31 -05:00
e7b0c8b3c5
synchronize LAMMPS C++ interface CMake modules
2024-02-24 17:29:25 -05:00
c869783e72
warn about building LAMMPS with shared lib support for plugins
2024-02-24 09:21:20 -05:00
5de6853684
fix typo
2024-02-23 16:05:30 -05:00
325a7d99d6
error out when cuFFT is not found
2024-02-22 07:47:37 -05:00
e143bbb4dd
use a more "CMake" way to link to cuFFT with check in CMake config run
2024-02-21 10:49:31 -05:00
16b631858f
fix typo
2024-02-21 10:02:01 -05:00
e94d89ee3c
added mliap_enable_ace to opt in/out of ace functionality in mliap
2024-02-14 17:02:07 -07:00
072b0374e7
do not check for cmath with Intel compilers but assume it is there
2024-02-14 18:55:19 -05:00
ae39eb6569
include missing source file when compiling INTEL package
2024-02-14 18:54:59 -05:00
57321b308f
OpenMP library is not (yet) properly detected for CrayClang. Work around it.
2024-02-14 13:40:57 -05:00
5b645b631b
add detection for CrayClang to the OpenMP compatibility check
2024-02-13 11:09:25 -05:00
5aca8099e6
avoid installing libraries and headers for downloaded add-on libraries
2024-02-09 13:38:12 -05:00
9c6e88f575
use plumed version 2.8.3 by default
2024-02-09 05:09:47 -05:00
