9fd21fa065
Remove lammps-shell tool as it has been superseded by LAMMPS-GUI
2024-07-22 06:43:10 -04:00
1ed6e153b6
Merge pull request #4214 from jtclemm/rheo
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New multiphase fluids package
2024-07-18 18:38:51 -04:00
6fedb6a1b8
fix compilation issue with latest QUIP/libAtoms code
2024-07-15 06:48:21 -04:00
a4d69878fa
update list of available sanitizers for Fedora 40 and GCC 14
2024-07-03 22:02:35 -04:00
b6d11b5902
document GSL dependency and provide build instructions for RHEO package
2024-07-03 19:07:19 -04:00
b219bb8de8
Merge conflicts
2024-06-24 14:09:33 -06:00
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
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
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
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
a2616630b5
update OpenCL ICD loader source to latest release
2024-05-09 07:18:50 -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
1b71576b6f
Update CMake and docs
2024-04-05 09:09:44 -06:00
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
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# 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
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
e94d89ee3c
added mliap_enable_ace to opt in/out of ace functionality in mliap
2024-02-14 17:02:07 -07:00
ae39eb6569
include missing source file when compiling INTEL package
2024-02-14 18:54:59 -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
801c62dbde
updated library for better Windows portability
2024-02-09 04:14:14 -05:00
11580aea57
update OpenCL loader library to latest upstream version
2024-02-09 03:39:44 -05:00
960b22763d
Merge branch 'develop' into issue3775_fft_kokkos
2024-02-05 16:05:59 -05:00
8d673bdfcf
Merge pull request #4063 from akohlmey/collected-small-changes
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Collected small changes and fixes
2024-02-05 11:00:17 -05:00
d490d24bba
update CMake script code to automatically chose heFFTe backed based on FFT choice
2024-02-01 12:10:53 -05:00
677c8258e2
fix cmake issues: always build static heFFTe libs, fixup git hash, cmake output
2024-01-31 16:19:55 -05:00
23ed9a0980
Merge branch 'develop' into issue3775_fft_kokkos
2024-01-31 12:39:02 -05:00
a83a5165ee
simplify
2024-01-28 11:30:11 -05:00
a2b7a49c90
Remove HIP_PATH requirement from CMake build
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It is not recommended to set the HIP_PATH environment variable anymore as it
may break hipcc in some cases.
We only used it for adding the necessary CMAKE_PREFIX_PATH, which after the
folder structure reorganization in 5.x was pointing to the same location
anyway.
Closes issue #3986
2024-01-26 15:19:41 -07:00
0a1362654b
make compiling QUIP library more reliable
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- replace any -std=f* flags when using GNU fortran with -std=gnu
- cancel parallel make and require serial compile to avoid race condition accessing modules
- increase maximum allowed size for arrays on the stack 100 times
2024-01-26 16:23:14 -05:00
9d68b0ecc5
Merge branch 'develop' into issue3775_fft_kokkos
2024-01-25 09:03:52 -05:00
f7fdad8bc5
update external MDI library to version 1.4.26
2024-01-23 21:21:04 -05:00
930a717f5e
silence CMake warning about FindCUDA.cmake being obsolete
2024-01-20 22:59:13 -05:00
faef34a8d4
Merge branch 'develop' into rheo
2024-01-12 13:26:38 -07:00
073a72d933
fixing merge conflicts
2024-01-12 11:12:02 -07:00
43642a6040
Kokkos 4 checks for compatible compilers so this is no longer needed.
2024-01-05 02:51:41 -05:00
dd1ac640ae
Added declaration for FFT_KOKKOS variable
2023-12-18 12:56:30 -05:00
cddce67931
Merge branch 'develop' into issue3775_fft_kokkos
2023-12-18 12:14:15 -05:00
c45183d45c
Updated CMake build system to allow for FFT_KOKKOS parameter. Updated CMakeLists.txt to print the correct value when summarizing.
2023-12-14 15:38:45 -05:00
0c4a1cb21d
Merge pull request #4009 from ndtrung81/gpu-updates-Dec23
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GPU package updates Dec 2023
2023-12-13 11:59:10 -05:00
8104f68bc1
Merge pull request #3963 from mkstoyanov/heffte_integration
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Heffte integration
2023-12-12 17:27:02 -05:00
