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1e1311cf40
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Merge pull request #3478 from wmbrownIntel/gpu_init_fix
GPU Package Initialization Fixes
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2022-10-09 17:57:12 -04:00 |
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50263021b6
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must check for DESTDIR environment variable during "make install" NOT during configuring
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2022-10-08 16:17:57 -04:00 |
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878c56da69
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revert to using --prefix, but only use --root when DESTDIR is set
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2022-10-08 15:39:03 -04:00 |
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90b590dd3b
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synchronize intel compiler flag tweaks with cmake, turn off one more warning
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2022-10-08 10:54:33 -04:00 |
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60c12540db
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Merge branch 'develop' into fix-cmake-python-install
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2022-10-07 17:04:29 -04:00 |
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840e3398b8
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silence warning with CMake 3.24 and later
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2022-10-03 16:06:59 -04:00 |
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ea8f08c295
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update "make install" for cmake to correctly install LAMMPS python module.
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2022-09-22 22:44:45 -04:00 |
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9e5ee01a8a
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add a hard dependency of EXTRA-MOLECULE on MOLECULE
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2022-09-10 02:19:17 -04:00 |
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f92e57ba9e
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Must always enable exception handler with MSVC and also with Intel classic on windows.
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2022-08-06 19:58:44 -04:00 |
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48aa9cf7ba
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Merge pull request #3359 from akohlmey/correct-misc-mc-depend
Add package dependency handling for pair style srp/react
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2022-07-21 14:39:23 -04:00 |
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16e85a9f89
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Merge pull request #3360 from akohlmey/update-linalg
Add missing functions for LATTE to linalg library
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2022-07-21 13:09:56 -04:00 |
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1f4447d1cd
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add USE_INTERNAL_LINALG to workaround passing BLAS/LAPACK settings to external projects
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2022-07-21 05:42:23 -04:00 |
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3c99a6b5c4
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Correctly handle the dependency of pair style (and fix) srp/react on the MC package
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2022-07-20 17:01:44 -04:00 |
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b655088657
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adjust search for python interpreter so it is consistent with manual
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2022-07-19 13:26:50 -04:00 |
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ed73c21a21
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Set path to python interpreter when running in a virtual environment
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2022-07-19 13:25:05 -04:00 |
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a393569083
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Merge pull request #3343 from yskmiyazaki/style-sdk-update
Change package name CG-SDK to CG-SPICA and add a function type LJ12-5 to the package
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2022-07-15 14:54:41 -04:00 |
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20182a194f
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changed a package name CG-SDK to CG-SPICA in files for cmake.
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2022-07-08 17:01:56 +09:00 |
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1817b12332
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Merge branch 'develop' into amoeba
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2022-06-24 17:01:46 -06:00 |
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deac9f05b1
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move the created wheel to the build folder at the end
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2022-06-17 08:05:28 -04:00 |
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8427697caf
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Merge branch 'develop' into amoeba
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2022-06-09 13:19:12 -06:00 |
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3beb071d38
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make plugin compilation settings with MSVC consistent and more compile specific
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2022-06-04 05:15:14 -04:00 |
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4c36c79652
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remove feature for automatic jpeg/png/zlib library download and build
this is a post-stable feature and would require a general rewrite of offline processing
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2022-05-28 15:20:22 -04:00 |
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97fab45f7e
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Merge branch 'develop' into amoeba-ak
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2022-05-28 05:24:02 -04:00 |
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3615639bdd
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Check for a working internet connection.
With this check we only do automatic downloads if the check passes
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2022-05-28 04:55:10 -04:00 |
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46df8abe75
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rename jpeg cmake file for consistency
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2022-05-22 17:49:54 -04:00 |
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1959cd7037
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download, build, and link missing png and zlib libraries with CMake
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2022-05-22 17:45:42 -04:00 |
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7d3d986d18
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download, build, and link a missing jpeg library with CMake
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2022-05-22 14:03:20 -04:00 |
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361e303177
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fix cut-n-paste error
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2022-05-19 04:14:31 -04:00 |
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b5830aae83
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suppress excessive warnings and undesired aborts with Intel LLVM compiler
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2022-05-18 21:43:09 -04:00 |
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acbeae075a
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no need to suppress nvcc warnings about pragmas with Clang as host compiler
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2022-05-18 12:17:06 -04:00 |
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4f45ae2ef6
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improve support for intel compilers on windows
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2022-05-18 09:14:18 -04:00 |
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2f0baa86d6
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configure desired clang-tidy settings explicitly, must unset variable to turn off
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2022-05-14 07:13:25 -04:00 |
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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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929734ce45
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Merge remote-tracking branch 'github/develop' into amoeba-ak
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
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2022-04-28 20:08:18 -04:00 |
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171b102025
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AMOEBA package has a "hard" dependency on KSPACE
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2022-04-28 19:35:55 -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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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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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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a73fc87f90
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add AMOEBA package to CMake build system
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2022-04-19 04:35:25 -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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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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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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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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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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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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