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c04a71a239
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add unit test framework for pair, bond, angle styles from progguide branch
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2020-05-19 22:24:31 -04:00 |
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cbd4ce5130
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Use absolute path to LAMMPS_DIR for collecting git info
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2020-05-08 16:04:55 -04:00 |
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3b77546eb9
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Merge pull request #2069 from junghans/latte_v1.2.2
latte: bump to v1.2.2
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2020-05-07 14:27:19 -04:00 |
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5fa7e138ea
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Merge pull request #2070 from junghans/kokkos_v3.1.01
cmake: bump kokkos to v3.1.01
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2020-05-07 14:16:56 -04:00 |
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66994562e6
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cmake: bump kokkos to v3.1.01
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2020-05-05 11:46:09 -06:00 |
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fe62e1dbc9
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latte: bump to v1.2.2
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2020-05-05 10:51:11 -06:00 |
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fc7b1dc4fd
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Merge branch 'cmake_enable_chain.x' of github.com:junghans/lammps into cmake_enable_chain.x
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2020-05-05 11:27:40 -04:00 |
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b933538dfa
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tweak tbbmalloc search path for intel 19.1 compiler
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2020-05-05 11:27:19 -04:00 |
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8a114fca97
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cmake: include where it is used
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2020-05-05 08:53:49 -06:00 |
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9708b58939
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check for fortran instead of directly enabling it
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2020-05-05 10:41:18 -04:00 |
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bcd50646b4
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don't enable fortran if the generator does not support it.
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2020-05-05 10:23:04 -04:00 |
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b5af7da2c6
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cmake: enable Fortran before checking for the compiler
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2020-05-05 07:10:42 -06:00 |
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71ab9dc02b
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Merge pull request #2049 from rbberger/singularity_container_update
Singularity container update
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2020-05-04 17:27:54 -04:00 |
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61284891ee
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add a few more packages to the "most" preset
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2020-05-03 05:04:07 -04:00 |
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f1e1644fe1
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fix typo that resulted in LAPACK not being properly linked with USER-ATC
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2020-05-03 04:55:25 -04:00 |
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d811fd0da7
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skip building chain.x, if no Fortran compiler is available
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2020-05-03 04:23:52 -04:00 |
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fdb4ba51da
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add patch to VORONOI package external build so it will compile with BSD make
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2020-05-03 04:04:02 -04:00 |
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f5be3ccab4
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add the check for MPI in USER-ATC at the correct location
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2020-05-03 03:06:41 -04:00 |
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863b50501c
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port MPI stubs workaround to USER-ATC
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2020-05-03 02:49:52 -04:00 |
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696308a760
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set cmake policy to honor HDF5_ROOT and NETCDF_ROOT. search for parallel NetCDF only with parallel builds
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2020-04-29 22:39:33 -04:00 |
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1adda03202
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cmake: only install shared lib and friends
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2020-04-29 18:06:33 -06:00 |
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600d357155
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cmake: disable installing of static libs
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2020-04-29 16:26:56 -06:00 |
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ef3e071067
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GPU.cmake: localize hackery
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2020-04-28 07:43:31 -06:00 |
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24fe5bc187
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cmake: reenable CMAKE_TUNE_FLAGS check
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2020-04-28 06:03:34 -06:00 |
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6be36196da
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explicitly include STUBS MPI headers for serial compile since we seem to pick up the OpenMP ones otherwise
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2020-04-28 01:36:21 -04:00 |
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705c10ef47
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restore original command
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2020-04-28 01:12:49 -04:00 |
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d931365e4e
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fix typos
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2020-04-28 01:11:54 -04:00 |
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d3017744a9
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updates for building with hip
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2020-04-28 00:39:11 -04:00 |
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b362a06ca3
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(temporarily) disable CMAKE_TUNE_FLAGS verification script code
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2020-04-27 23:17:43 -04:00 |
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dd5ebb0a81
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add preset to compile with hcc
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2020-04-27 22:30:17 -04:00 |
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29d667721a
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tweak GPU.cmake so that hip_get_devices compiles and links
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2020-04-27 22:29:41 -04:00 |
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5006c2c329
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Merge branch 'latte_super_build' of github.com:junghans/lammps into collected-small-changes
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2020-04-27 21:19:45 -04:00 |
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74e8505a1f
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Merge branch 'master' into collected-small-changes
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2020-04-27 16:57:47 -04:00 |
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0f28e0eb0f
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Merge pull request #2030 from lammps/revert-2018-cmake_kim-api_find
Revert "cmake: move kim-api detection to cmake config"
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2020-04-27 16:16:55 -04:00 |
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0a9bed0ca6
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Merge branch 'cmake_clean_up_plumed' of github.com:junghans/lammps into collected-small-changes
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2020-04-27 16:07:52 -04:00 |
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281c105a34
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KIM.cmake: add workaround for <cmake-3.12
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2020-04-26 12:02:18 -06:00 |
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d092b24c2e
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Revert "cmake: move kim-api detection to cmake config"
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2020-04-26 11:56:48 -06:00 |
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9a5b7141af
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move MPI compilation variable definitions workaround to MPI4WIN.cmake
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2020-04-26 00:14:27 -04:00 |
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e5360bb68a
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Merge remote-tracking branch 'github/cmake_latte_link_fix' into collected-small-changes
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2020-04-25 23:07:58 -04:00 |
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758a27c1e7
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update MPI detection and handling of MPI to not automatically assume that a windows target means cross-compiling
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2020-04-25 22:06:36 -04:00 |
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7fd50045fe
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USER-PLUMED: remove unused defines
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2020-04-25 10:16:58 -06:00 |
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5308b00c7b
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Update LATTE.cmake
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2020-04-25 07:28:16 -06:00 |
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bac681b9dc
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cmake: fix linkage against external latte
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2020-04-24 20:51:58 -06:00 |
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72ff0dd87d
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Merge pull request #2004 from stanmoore1/kk_3.1
Update Kokkos library in LAMMPS to v3.1
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2020-04-24 18:35:53 -04:00 |
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4890c328d9
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add comment to trigger jenkins rerun
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2020-04-24 13:21:38 -04:00 |
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68dd6d0f19
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cmake: move kim-api detection to cmake config
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2020-04-23 09:20:38 -06:00 |
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623f03e322
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cmake: add support for latte super-build
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2020-04-22 14:21:34 -06:00 |
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0f9d8efe69
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state in external Kokkos error message the version 3.1 or later is required
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2020-04-21 12:50:27 -04:00 |
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8c54507371
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forward Kokkos library variables from CMake configuration for LAMMPS to the downloaded Kokkos library build
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2020-04-16 16:46:27 -04:00 |
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850bee2331
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update KOKKOS.cmake for Kokkos 3.1. no more patch needed.
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2020-04-16 15:39:53 -04:00 |
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