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88ac09a8c0
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build system support: fix sgcmc may only be compiled if EAM is available
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2022-12-13 16:35:19 -05:00 |
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e2d6bb0c31
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Merge branch 'develop' into pod-updates
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2022-11-22 18:32:20 -05:00 |
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d75bf01b2d
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create Makefile for ML-POD
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2022-11-20 14:13:51 -05:00 |
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da929b4f7f
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Fix merge conflicts
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2022-11-07 17:37:50 -07:00 |
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09e490db40
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add support for building/using the ADIOS package without MPI
This needs the ADIOS2 installation being configured accordingly.
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2022-11-07 07:24:17 -05:00 |
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ca6aba52bb
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modernize OpenMP detection and check for omp.h in CMake
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2022-10-26 22:35:41 -04:00 |
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c206cbf6d1
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KOKKOS_ARCH output is always empty, so no need to print it
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2022-10-14 16:16:08 -04:00 |
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efdd29817b
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update install targets for main folder headers for "make install"
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2022-10-12 21:39:12 -04:00 |
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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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387829a661
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Update cmake/CMakeLists.txt
Co-authored-by: Christoph Junghans <christoph.junghans@gmail.com>
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2022-09-18 21:48:38 -04:00 |
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65fdeb279d
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Update cmake/CMakeLists.txt
Co-authored-by: Christoph Junghans <christoph.junghans@gmail.com>
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2022-09-18 21:46:20 -04:00 |
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064dcddd48
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Clean up
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2022-09-17 10:00:11 -06:00 |
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32a33e627d
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Merge branch 'develop' into pod
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2022-09-14 22:32:48 -06:00 |
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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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1a1426eb2e
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Fixed conflicts
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2022-07-21 18:59:00 -06:00 |
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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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3ae84a3b3f
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pod update
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2022-07-01 12:49:28 -04:00 |
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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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