Commit Graph

2041 Commits

Author SHA1 Message Date
0ff17967b0 Merge branch 'fix_omp_detection' of github.com:rbberger/lammps into collected-small-fixes 2025-04-20 10:37:04 -04:00
4e69046e54 cmake: fix omp.h detection
CMAKE_REQUIRED_LINK_OPTIONS needs to be a ;-separated list.
See https://cmake.org/cmake/help/latest/module/CheckIncludeFileCXX.html.
Fixes OpenMP detection with AppleClang when libomp is manually provided.
2025-04-20 00:40:24 -06:00
c088ce2f51 fix typo 2025-04-19 11:05:52 -04:00
699e5bee07 Merge branch 'fix_cmake_list' of github.com:alinelena/lammps into collected-small-fixes 2025-04-19 11:02:45 -04:00
bd427ecf7a do not make CMAKE_CXX_FLAGS a list of springs, ends up adding ; to the flags breaking compilation 2025-04-19 08:57:54 +01:00
6e2d7f48d7 alternate approach to include header from thirdparty dir 2025-04-17 14:10:03 -04:00
b6dae216d3 no need to set build type specific flags 2025-04-07 22:48:18 -04:00
3d13227287 convert compiler workaround from augmenting compiler flags to target_compile_definition() 2025-04-07 22:17:08 -04:00
cdea2737c7 remove CMAKE_TUNE_FLAGS 2025-04-06 07:06:20 -04:00
9d61ff4bba add support for compiling fully static LAMMPS executable with libcurl 2025-04-04 00:45:19 -04:00
1892189eaa looking for libcurl components fails for some installations 2025-04-03 18:46:16 -04:00
a4f7c7e4c5 Update CMake for KOKKOS package 2025-03-31 12:29:08 -06:00
07c0c435ef Merge branch 'develop' into remove-smallsmall 2025-03-15 02:11:02 -04:00
cea31e463d remove references to -DLAMMPS_SMALLSMALL and trigger error when used 2025-03-14 10:20:31 -04:00
9b1dca201f rewrite incorrect statement 2025-03-06 15:45:24 -05:00
1c65907d72 Merge branch 'develop' into bye-bye-python-zwei 2025-02-13 17:01:39 -05:00
b188cdc044 add check for Python version. Require minimum of Python 3.6 (Sphinx requires 3.8) 2025-02-07 20:51:50 -05:00
6eddb3a33f various minor tweaks and reformatting for CMake scripts 2025-02-07 20:50:14 -05:00
2ae07ec1cb sync C++ standard selection with main CMakeLists.txt file 2025-02-04 17:00:12 -05:00
6fb318f61c Merge branch 'develop' into collected-small-changes 2025-01-23 20:22:14 -05:00
e26599c532 Revert "We no longer support Intel icc version 19 or older. Clean up checks/flags."
This reverts commit 906117ff47.
2025-01-23 00:15:48 -05:00
651c1b2bc2 Merge branch 'develop' into collected-small-changes 2025-01-21 20:06:50 -05:00
fbfdcbbac1 Merge branch 'develop' into kk_bug_fixes 2025-01-21 14:50:34 -07:00
f4b8200bcc download plumed-2.9.3 by default now 2025-01-21 10:39:08 -05:00
9cb67de38f Merge branch 'develop' of github.com:lammps/lammps into kk_bug_fixes 2025-01-20 15:50:48 -07:00
781b40643c add deprecation warning for using accelerator offload with INTEL package 2025-01-14 20:49:00 -05:00
edb068c43f Merge pull request #4426 from akohlmey/update-to-fmtlib-11.1
Update embedded fmtlib copy to version 11.1
2025-01-14 01:24:57 -05:00
ddff545a4c Merge pull request #4431 from Becksteinlab/imd-v3-integration
Interactive Molecular Dynamics [IMD] Version 3 implementation
2025-01-13 15:59:41 -05:00
2df402c4ff Merge branch 'develop' into cmake-cpp-std-deprecation 2025-01-12 21:47:02 -05:00
906117ff47 We no longer support Intel icc version 19 or older. Clean up checks/flags. 2025-01-12 21:46:04 -05:00
38c3477d2f Merge pull request #4394 from rbberger/find-package-pace
ml-pace: allow linking to existing pace library
2025-01-09 19:41:19 -05:00
02a8a9d706 make LAMMPS_ASYNC_IMD a CMake variable, too, and document it properly 2025-01-08 20:50:16 -05:00
668435380b Make sure that yaml-cpp::yaml-cpp exists 2025-01-08 15:41:37 -07:00
ec7be395ea ml-pace: update tag 2025-01-08 11:48:34 -07:00
8595d8f05c Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.5.0 2025-01-07 10:04:43 -07:00
9e373e7cc1 Merge branch 'develop' of github.com:lammps/lammps into kk_bug_fixes 2025-01-07 10:02:34 -07:00
d87abc0d01 correct CMake script code for including WHAM executables in macOS app-bundle 2025-01-02 17:25:44 -05:00
e31ca3c9c5 Update CMake 2024-12-24 10:35:05 -07:00
74cf599778 work around bug in FindVTK.cmake shipped with VTK 9.1 (and possibly other versions) 2024-12-19 08:32:34 -05:00
9e3f7e55ee Update build systems for Kokkos v4.5.0 2024-12-13 09:32:45 -07:00
c2b6ce5786 remove src/KOKKOS/group_kokkos.cpp 2024-12-04 18:02:44 -05:00
88807c6ae6 ml-pace: allow linking to existing pace library 2024-11-25 16:18:50 -07:00
71bbc52feb recommit changes from @stanmoore1 2024-10-25 20:03:45 -04:00
cfb8b25c6e fix grammar 2024-10-24 13:33:42 -04:00
40e5d53345 Prevent deduplication of -Xcudafe flag 2024-10-23 15:53:56 -06:00
820fe1ee8a Fix compile issue with gcc 2024-10-23 12:18:20 -06:00
46c365f75c Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes 2024-10-23 09:32:27 -06:00
73eb7de7aa cmake: voro target to upstream name 2024-10-18 09:26:23 -06:00
0ae0afbae9 Merge branch 'develop' into cmake-cpp-std-deprecation 2024-10-12 20:11:28 -04:00
f8a8783044 Merge branch 'develop' into alphataubio-kokkos-fixes 2024-10-12 20:09:59 -04:00