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297 Commits

Author SHA1 Message Date
Axel Kohlmeyer 2a4bd9ef53
small tweaks and documentation update to coverage cleaning targets 2020-05-29 08:33:34 -04:00
Axel Kohlmeyer 30020594df
add custom target to remove/reset collected coverage data 2020-05-29 08:23:25 -04:00
Richard Berger 0c503ab122
Move coverage html into folder 2020-05-29 08:23:08 -04:00
Axel Kohlmeyer 8691579def
Merge pull request #2098 from lammps/unittest 
Add first part of an integrated unit test framework
 2020-05-20 15:44:52 -04:00
Axel Kohlmeyer 58ca1dcf8e
Merge pull request #2094 from akohlmey/collected-small-changes 
Collected small changes and bug fixes for the next patch release
 2020-05-20 14:33:34 -04:00
Axel Kohlmeyer c04a71a239
add unit test framework for pair, bond, angle styles from progguide branch 2020-05-19 22:24:31 -04:00
Axel Kohlmeyer 48a9e0d732
consolidate setting CMake policy CMP0074 into main cmake file 2020-05-19 15:20:41 -04:00
Axel Kohlmeyer 16db223d03
update test for whether to set CMake policy CMP0074 is needed. 2020-05-19 11:53:47 -04:00
Axel Kohlmeyer 93fe33553a
need to set CMake policy CMP0074 to NEW behavior also for finding TBB Malloc 2020-05-18 17:50:28 -04:00
Christoph Junghans 6f0a56c176 cmake: fftw is now a private dep 2020-05-15 13:42:51 -06:00
Richard Berger cbd4ce5130
Use absolute path to LAMMPS_DIR for collecting git info 2020-05-08 16:04:55 -04:00
Axel Kohlmeyer 3b77546eb9
Merge pull request #2069 from junghans/latte_v1.2.2 
latte: bump to v1.2.2
 2020-05-07 14:27:19 -04:00
Axel Kohlmeyer 5fa7e138ea
Merge pull request #2070 from junghans/kokkos_v3.1.01 
cmake: bump kokkos to v3.1.01
 2020-05-07 14:16:56 -04:00
Christoph Junghans 66994562e6 cmake: bump kokkos to v3.1.01 2020-05-05 11:46:09 -06:00
Christoph Junghans fe62e1dbc9 latte: bump to v1.2.2 2020-05-05 10:51:11 -06:00
Axel Kohlmeyer b933538dfa
tweak tbbmalloc search path for intel 19.1 compiler 2020-05-05 11:27:19 -04:00
Axel Kohlmeyer 71ab9dc02b
Merge pull request #2049 from rbberger/singularity_container_update 
Singularity container update
 2020-05-04 17:27:54 -04:00
Axel Kohlmeyer fdb4ba51da
add patch to VORONOI package external build so it will compile with BSD make 2020-05-03 04:04:02 -04:00
Axel Kohlmeyer 696308a760
set cmake policy to honor HDF5_ROOT and NETCDF_ROOT. search for parallel NetCDF only with parallel builds 2020-04-29 22:39:33 -04:00
Christoph Junghans 1adda03202 cmake: only install shared lib and friends 2020-04-29 18:06:33 -06:00
Christoph Junghans ef3e071067 GPU.cmake: localize hackery 2020-04-28 07:43:31 -06:00
Axel Kohlmeyer 6be36196da
explicitly include STUBS MPI headers for serial compile since we seem to pick up the OpenMP ones otherwise 2020-04-28 01:36:21 -04:00
Axel Kohlmeyer 705c10ef47
restore original command 2020-04-28 01:12:49 -04:00
Axel Kohlmeyer d3017744a9
updates for building with hip 2020-04-28 00:39:11 -04:00
Axel Kohlmeyer 29d667721a
tweak GPU.cmake so that hip_get_devices compiles and links 2020-04-27 22:29:41 -04:00
Axel Kohlmeyer 5006c2c329
Merge branch 'latte_super_build' of github.com:junghans/lammps into collected-small-changes 2020-04-27 21:19:45 -04:00
Axel Kohlmeyer 74e8505a1f
Merge branch 'master' into collected-small-changes 2020-04-27 16:57:47 -04:00
Axel Kohlmeyer 0f28e0eb0f
Merge pull request #2030 from lammps/revert-2018-cmake_kim-api_find 
Revert "cmake: move kim-api detection to cmake config"
 2020-04-27 16:16:55 -04:00
Axel Kohlmeyer 0a9bed0ca6
Merge branch 'cmake_clean_up_plumed' of github.com:junghans/lammps into collected-small-changes 2020-04-27 16:07:52 -04:00
Christoph Junghans 281c105a34 KIM.cmake: add workaround for <cmake-3.12 2020-04-26 12:02:18 -06:00
Christoph Junghans d092b24c2e
Revert "cmake: move kim-api detection to cmake config" 2020-04-26 11:56:48 -06:00
Axel Kohlmeyer 9a5b7141af
move MPI compilation variable definitions workaround to MPI4WIN.cmake 2020-04-26 00:14:27 -04:00
Christoph Junghans 7fd50045fe USER-PLUMED: remove unused defines 2020-04-25 10:16:58 -06:00
Christoph Junghans 5308b00c7b
Update LATTE.cmake 2020-04-25 07:28:16 -06:00
Christoph Junghans bac681b9dc cmake: fix linkage against external latte 2020-04-24 20:51:58 -06:00
Axel Kohlmeyer 72ff0dd87d
Merge pull request #2004 from stanmoore1/kk_3.1 
Update Kokkos library in LAMMPS to v3.1
 2020-04-24 18:35:53 -04:00
Axel Kohlmeyer 4890c328d9
add comment to trigger jenkins rerun 2020-04-24 13:21:38 -04:00
Christoph Junghans 68dd6d0f19 cmake: move kim-api detection to cmake config 2020-04-23 09:20:38 -06:00
Christoph Junghans 623f03e322 cmake: add support for latte super-build 2020-04-22 14:21:34 -06:00
Axel Kohlmeyer 0f9d8efe69
state in external Kokkos error message the version 3.1 or later is required 2020-04-21 12:50:27 -04:00
Axel Kohlmeyer 8c54507371
forward Kokkos library variables from CMake configuration for LAMMPS to the downloaded Kokkos library build 2020-04-16 16:46:27 -04:00
Axel Kohlmeyer 850bee2331
update KOKKOS.cmake for Kokkos 3.1. no more patch needed. 2020-04-16 15:39:53 -04:00
Giacomo Fiorin 250e3892f8 Add defines to build Lepton with MSVC and CMake 2020-04-14 17:40:50 -04:00
Axel Kohlmeyer 7d71d5bfb3
Merge pull request #1981 from akohlmey/simplify_build_choices 
Simplify choices for building LAMMPS and add some howtos for CMake and getting stack traces
 2020-04-14 10:57:54 -04:00
Axel Kohlmeyer 4ded155cf2
simplify directory creation and copying of static content 2020-04-14 00:31:45 -04:00
Axel Kohlmeyer 872f15f2be
remove no longer needed include 2020-04-14 00:30:53 -04:00
Axel Kohlmeyer a3c5751faf
BUILD_LIB variable has been removed from CMake 2020-04-13 23:40:36 -04:00
Axel Kohlmeyer e09349bc91
update CMake documentation build for recent changes to the html doc build procedure 2020-04-13 22:41:49 -04:00
Axel Kohlmeyer 74143a3d89
Merge branch 'master' into simplify_build_choices 2020-04-13 11:02:35 -04:00
Axel Kohlmeyer 4abff7b4d3
Merge pull request #1986 from akohlmey/correct-kokkos-docs 
Update docs and CMake scripts for Kokkos 3.0+
 2020-04-13 11:01:26 -04:00