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c05af749df
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Merge branch 'develop' of https://github.com/lammps/lammps into hipfft
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2022-05-05 12:15:28 -04:00 |
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cac9fcaf86
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cannot build ELECTRODE package by default on native windows because it requires BLAS
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2022-04-29 20:18:50 -04:00 |
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8cdbf380cf
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Add support for hipFFT backend in PPPMKokkos.
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2022-04-27 09:22:59 +10:00 |
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7aaa71d22e
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Merge remote-tracking branch 'lammps/develop' into electrode
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2022-04-26 10:29:39 +02:00 |
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09187801c1
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suppress nvcc unknown pragma warnings
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2022-04-21 15:01:46 -04:00 |
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1df430aef4
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align with doc folder makefile
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2022-04-21 12:02:05 -04:00 |
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1a8ba25444
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silence some excessive warning by the new Intel compilers
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2022-04-21 07:58:43 -04:00 |
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c07551072d
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must check if externally set C++ standard is at least c++11
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2022-04-21 07:50:30 -04:00 |
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9cac62401d
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only set the C++ standard value if it is not set externally
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2022-04-20 19:32:42 -04:00 |
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96e22b1104
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disable CUDA support with Eigen3
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2022-04-20 18:50:55 -04:00 |
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38093ffe47
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KOKKOS doesn't require nvcc_wrapper anymore when compiling with CMake
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2022-04-20 18:13:42 -04:00 |
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c62e2ad4d1
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disable warnings with PGI/NVHPC compilers and import CMAKE_TUNE_FLAGS
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2022-04-20 17:39:33 -04:00 |
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21f24ef572
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Merge pull request #3218 from lammps/mdi-new-functions
MDI new functions
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2022-04-14 20:48:51 -04:00 |
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64b1c45a49
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update MDI library and checksum
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2022-04-14 17:27:20 -04:00 |
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5bd86a05b2
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Merge pull request #2906 from jtclemm/BPM
Adding package for bonded particle models
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2022-04-14 15:43:14 -04:00 |
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f3363070e7
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remove support for CUDA toolkits before version 8 and GPUs older than Kepler
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2022-04-12 15:48:16 -04:00 |
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49aebf64b9
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include BPM package in multiple presets
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2022-04-11 12:41:28 -04:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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1a2d83ab01
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HDF5 library may be parallel which is an error with serial LAMMPS
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2022-04-10 12:07:54 -04:00 |
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177f9cabc1
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add ELECTRODE package to suitable presets
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2022-04-09 18:19:55 -04:00 |
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19b42bc726
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Merge branch 'develop' into electrode
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2022-04-09 06:31:22 -04:00 |
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674d2a6788
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Merge branch 'develop' into remove-message-package
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2022-04-09 00:25:11 -04:00 |
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093667799d
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Merge branch 'develop' into mdi-expand
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2022-04-08 20:58:53 -04:00 |
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521d45dcc6
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remove MESSAGE package from CMake
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2022-04-08 18:00:36 -04:00 |
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ab0e5d5568
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Fix for building GPU backend on ROCm 5.0+
Change-Id: I32ad9be86d6a0467ccae555a1d0272813c905e97
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2022-04-07 17:48:03 -04:00 |
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288c154290
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Merge pull request #3186 from Ruyk/kokkos-sycl-cmake
Add kokkos-sycl.cmake preset
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2022-04-04 16:12:24 -04:00 |
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ff107315cb
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need to always extract the path to MPI include directory
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2022-03-26 23:20:57 -04:00 |
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29ada4e263
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Update description header
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2022-03-25 11:19:59 +00:00 |
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2ae448d9d0
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Add kokkos-sycl.cmake & relevant compiler flags
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2022-03-25 11:05:09 +00:00 |
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5663a9c38b
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print current LAMMPS version number in configuration summary
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2022-03-24 17:07:45 -04:00 |
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a4018dbb4b
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update MDI library to version 1.3.0
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2022-03-23 17:18:19 -04:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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fc532ae1a0
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list submodules to be updated explicitly for compatibility with CMake 3.16 and later
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2022-03-17 16:53:44 -04:00 |
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ca76ff360f
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augment cmake library search path to include the CUDA stubs library folder
this will help configuring and compiling LAMMPS with CUDA support on
machines where there is no CUDA driver installed
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2022-03-10 21:17:58 -05:00 |
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bd4d1b52f9
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Merge branch 'develop' into collected-small-changes
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2022-02-27 19:33:04 -05:00 |
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11ba2adbe7
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add support for plumed 2.6.6, 2.7.4, and 2.8.0 (default 2.7.4)
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2022-02-25 16:34:37 -05:00 |
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e2092a5788
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first attempt at supporting multi-config builders
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2022-02-25 00:52:13 -05:00 |
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4b7731e831
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update install.py script to build a wheel and install that
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2022-02-25 00:24:16 -05:00 |
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0988d957f5
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Update preset configurations to include release and debug versions of MSVC and Clang only.
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2022-02-21 19:09:59 -05:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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f3c055e637
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Undo change that forces BUILD_SHARED_LIBS=off
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2022-02-15 14:53:18 -05:00 |
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702a2dd3f6
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Merge pull request #3130 from akohlmey/iwyu-update
Update list of include statements based on the IWYU utility
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2022-02-14 17:25:32 -05:00 |
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5f47ff770c
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Merge pull request #3127 from akohlmey/gpu-opencl-updates
Update compiling OpenCL loader lib
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2022-02-14 16:10:53 -05:00 |
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1307371942
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update/correct iwyu additional mappings
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2022-02-13 18:20:12 -05:00 |
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9d518ee1e2
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must ensure that BUILD_SHARED_LIBS retains its original value
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2022-02-13 10:00:19 -05:00 |
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78d149f118
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update to download improved loader sources that make installing optional
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2022-02-12 13:21:10 -05:00 |
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99c1b935b5
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convert OpenCL loader build from ExternalProject_add to ExternalCMakeProject
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2022-02-11 23:49:08 -05:00 |
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a5fe8b0581
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update OpenCL loader to latest OpenCL spec sources
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2022-02-11 22:01:04 -05:00 |
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c32dca2009
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avoid failures with "most" presets
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2022-02-10 20:11:27 -05:00 |
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4d5bb08ead
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make searching for python interpreter and development version futureproof and more consistent
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2022-02-10 14:41:25 -05:00 |
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