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b2e8648e6c
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enable deprecated APIs for HDF5
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2024-10-04 12:32:09 -04:00 |
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80832ce763
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.4.0
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2024-09-23 16:14:12 -06:00 |
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e95de835c0
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Tweak build defaults
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2024-09-23 15:38:29 -06:00 |
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1ac9f0801c
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update build support for using LAPACK with RHEO instead of GSL
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2024-09-18 19:55:59 -04:00 |
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5075c7cfa1
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Update CMake
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2024-09-13 12:16:58 -06:00 |
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5699e3c8cf
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add overridable settings
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2024-09-12 17:34:12 -04:00 |
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dc15e4ae81
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Enforce options in CMake
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2024-09-12 10:50:19 -06:00 |
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0ebd4f5ddb
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Make CMake Doc build docenv optional
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2024-09-11 21:33:07 -06:00 |
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64db592a84
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Update Kokkos version in CMake
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2024-09-11 09:45:21 -06:00 |
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b09e88a179
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Merge pull request #4314 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-09-06 16:24:31 -04:00 |
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842896040d
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Merge branch 'develop' into aurora_updates, resolve merge conflicts
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2024-09-06 11:20:29 -04:00 |
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37e6f3ef21
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kspace: add NVPL FFT support
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2024-09-04 12:00:31 -06:00 |
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ec98481d01
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move check for libcurl to EXTRA-COMMAND.cmake package CMake module
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2024-09-04 04:22:49 -04:00 |
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597c53756e
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update plumed library to version 2.9.2
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2024-09-03 22:33:39 -04:00 |
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42b6c0f62c
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enable cmake support
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2024-09-03 20:10:29 +00:00 |
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047d1010a0
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Merge branch 'develop' into plumed-plugin
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2024-08-20 11:09:18 -04:00 |
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72a0992054
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Propagate OpenMP flags to Colvars library
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2024-08-06 00:57:12 +02:00 |
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70abf60d73
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Merge branch 'develop' into plumed-plugin
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2024-08-02 23:13:37 -04:00 |
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8bc38709a4
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raise minimum required version of clang-format and extend search to newer versions
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2024-07-31 09:10:43 -04:00 |
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cb00839357
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Merge branch 'develop' into plumed-plugin
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2024-07-30 20:30:21 -04:00 |
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701280a648
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lower GSL version requirement for compatibility with more (Linux) systems
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2024-07-30 15:20:48 -04:00 |
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b42ccf3a0f
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don't check for omp.h if the compiler identifies as Clang since the CMake check seems broken
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2024-07-28 12:42:05 -04:00 |
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9fd21fa065
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Remove lammps-shell tool as it has been superseded by LAMMPS-GUI
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2024-07-22 06:43:10 -04:00 |
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1ed6e153b6
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Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
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2024-07-18 18:38:51 -04:00 |
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6fedb6a1b8
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fix compilation issue with latest QUIP/libAtoms code
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2024-07-15 06:48:21 -04:00 |
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a4d69878fa
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update list of available sanitizers for Fedora 40 and GCC 14
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2024-07-03 22:02:35 -04:00 |
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b6d11b5902
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document GSL dependency and provide build instructions for RHEO package
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2024-07-03 19:07:19 -04:00 |
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2c2007ff55
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silence warnings
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2024-06-27 18:52:58 -04:00 |
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0e706d4dcc
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add support for building the PLUMED package as plugin
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2024-06-27 18:14:56 -04:00 |
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b219bb8de8
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Merge conflicts
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2024-06-24 14:09:33 -06:00 |
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778d11c79e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-19 14:46:04 -04:00 |
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629a9cbe3d
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Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
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2024-06-19 13:50:46 -04:00 |
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f4005e350a
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update fix plumed API version check and add reminder comments to build files
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2024-06-17 07:11:56 -04:00 |
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8eec17d409
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add missing file for CMake build
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2024-06-13 09:26:23 -04:00 |
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77c04d3827
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cosmetic changes
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2024-06-10 09:15:14 -04:00 |
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43ce6b018a
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update Plumed support for version 2.8.4 and 2.9.1
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2024-06-09 01:30:35 -04:00 |
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345d559a37
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Merge branch 'master' into fix-plumed-cmake
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2024-05-26 11:51:35 +01:00 |
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3805a01448
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Update CMake
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2024-05-15 14:42:01 -06:00 |
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a2616630b5
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update OpenCL ICD loader source to latest release
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2024-05-09 07:18:50 -04:00 |
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329d546eea
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Merge pull request #4078 from jmgoff/pace-mliap
Update ML-IAP for ACE support
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2024-04-16 22:42:17 -04:00 |
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1b71576b6f
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Update CMake and docs
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2024-04-05 09:09:44 -06:00 |
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e4035dd9d5
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correct CMake script logic
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2024-03-22 23:19:38 -04:00 |
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cb1e18256e
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Merge branch 'lammps:develop' into pace-mliap
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2024-03-22 16:35:31 -06:00 |
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8d4a384f34
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Improve cuFFT detection in CMake, similar to HIP
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2024-03-18 09:28:53 -06:00 |
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af5c8bcd22
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Merge branch 'develop' into pace-mliap
# Conflicts:
# src/ML-IAP/compute_mliap.cpp
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2024-03-12 09:05:46 -04:00 |
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6dcfcc1a83
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Update CMake
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2024-03-06 17:57:10 -07:00 |
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5de6853684
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fix typo
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2024-02-23 16:05:30 -05:00 |
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325a7d99d6
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error out when cuFFT is not found
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2024-02-22 07:47:37 -05:00 |
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e143bbb4dd
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use a more "CMake" way to link to cuFFT with check in CMake config run
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2024-02-21 10:49:31 -05:00 |
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e94d89ee3c
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added mliap_enable_ace to opt in/out of ace functionality in mliap
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2024-02-14 17:02:07 -07:00 |
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