e95de835c0
Tweak build defaults
2024-09-23 15:38:29 -06:00
5075c7cfa1
Update CMake
2024-09-13 12:16:58 -06:00
5699e3c8cf
add overridable settings
2024-09-12 17:34:12 -04:00
dc15e4ae81
Enforce options in CMake
2024-09-12 10:50:19 -06:00
64db592a84
Update Kokkos version in CMake
2024-09-11 09:45:21 -06:00
b09e88a179
Merge pull request #4314 from akohlmey/collected-small-changes
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Collected small changes and fixes
2024-09-06 16:24:31 -04:00
842896040d
Merge branch 'develop' into aurora_updates, resolve merge conflicts
2024-09-06 11:20:29 -04:00
37e6f3ef21
kspace: add NVPL FFT support
2024-09-04 12:00:31 -06:00
ec98481d01
move check for libcurl to EXTRA-COMMAND.cmake package CMake module
2024-09-04 04:22:49 -04:00
597c53756e
update plumed library to version 2.9.2
2024-09-03 22:33:39 -04:00
42b6c0f62c
enable cmake support
2024-09-03 20:10:29 +00:00
047d1010a0
Merge branch 'develop' into plumed-plugin
2024-08-20 11:09:18 -04:00
72a0992054
Propagate OpenMP flags to Colvars library
2024-08-06 00:57:12 +02:00
cb00839357
Merge branch 'develop' into plumed-plugin
2024-07-30 20:30:21 -04:00
701280a648
lower GSL version requirement for compatibility with more (Linux) systems
2024-07-30 15:20:48 -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
b6d11b5902
document GSL dependency and provide build instructions for RHEO package
2024-07-03 19:07:19 -04:00
2c2007ff55
silence warnings
2024-06-27 18:52:58 -04:00
0e706d4dcc
add support for building the PLUMED package as plugin
2024-06-27 18:14:56 -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
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
960b22763d
Merge branch 'develop' into issue3775_fft_kokkos
2024-02-05 16:05:59 -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
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
