Commit Graph

993 Commits

Author SHA1 Message Date
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
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
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
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
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
f8a8783044 Merge branch 'develop' into alphataubio-kokkos-fixes 2024-10-12 20:09:59 -04:00
49a850c8aa add cmake support for make-globbed-toc 2024-10-10 17:25:05 -04:00
1f61c42745 add GroupKokkos 2024-10-05 16:40:10 -04:00
b2e8648e6c enable deprecated APIs for HDF5 2024-10-04 12:32:09 -04:00
80832ce763 Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.4.0 2024-09-23 16:14:12 -06:00
e95de835c0 Tweak build defaults 2024-09-23 15:38:29 -06:00
1ac9f0801c update build support for using LAPACK with RHEO instead of GSL 2024-09-18 19:55:59 -04:00
5075c7cfa1 Update CMake 2024-09-13 12:16:58 -06:00
5699e3c8cf add overridable settings 2024-09-12 17:34:12 -04:00
dc15e4ae81 Enforce options in CMake 2024-09-12 10:50:19 -06:00
0ebd4f5ddb Make CMake Doc build docenv optional 2024-09-11 21:33:07 -06:00
64db592a84 Update Kokkos version in CMake 2024-09-11 09:45:21 -06:00
b09e88a179 Merge pull request #4314 from akohlmey/collected-small-changes
Collected small changes and fixes
2024-09-06 16:24:31 -04:00
842896040d Merge branch 'develop' into aurora_updates, resolve merge conflicts 2024-09-06 11:20:29 -04:00
37e6f3ef21 kspace: add NVPL FFT support 2024-09-04 12:00:31 -06:00
ec98481d01 move check for libcurl to EXTRA-COMMAND.cmake package CMake module 2024-09-04 04:22:49 -04:00
597c53756e update plumed library to version 2.9.2 2024-09-03 22:33:39 -04:00
42b6c0f62c enable cmake support 2024-09-03 20:10:29 +00:00
047d1010a0 Merge branch 'develop' into plumed-plugin 2024-08-20 11:09:18 -04:00
72a0992054 Propagate OpenMP flags to Colvars library 2024-08-06 00:57:12 +02:00
70abf60d73 Merge branch 'develop' into plumed-plugin 2024-08-02 23:13:37 -04:00
8bc38709a4 raise minimum required version of clang-format and extend search to newer versions 2024-07-31 09:10:43 -04:00
cb00839357 Merge branch 'develop' into plumed-plugin 2024-07-30 20:30:21 -04:00
701280a648 lower GSL version requirement for compatibility with more (Linux) systems 2024-07-30 15:20:48 -04:00
b42ccf3a0f don't check for omp.h if the compiler identifies as Clang since the CMake check seems broken 2024-07-28 12:42:05 -04:00
9fd21fa065 Remove lammps-shell tool as it has been superseded by LAMMPS-GUI 2024-07-22 06:43:10 -04:00
1ed6e153b6 Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
2024-07-18 18:38:51 -04:00
6fedb6a1b8 fix compilation issue with latest QUIP/libAtoms code 2024-07-15 06:48:21 -04:00
a4d69878fa update list of available sanitizers for Fedora 40 and GCC 14 2024-07-03 22:02:35 -04:00
b6d11b5902 document GSL dependency and provide build instructions for RHEO package 2024-07-03 19:07:19 -04:00
2c2007ff55 silence warnings 2024-06-27 18:52:58 -04:00
0e706d4dcc add support for building the PLUMED package as plugin 2024-06-27 18:14:56 -04:00
b219bb8de8 Merge conflicts 2024-06-24 14:09:33 -06:00