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337 Commits

Author SHA1 Message Date
Axel Kohlmeyer d00807ee9a
Merge pull request #2311 from stanmoore1/kk_update_3.2 
Update Kokkos library in LAMMPS to v3.2
 2020-08-26 15:35:25 -04:00
Christoph Junghans d40b658644 cmake: update kokkos version/checksum 2020-08-26 10:05:14 -06:00
Richard Berger 3a638440a4
Add missing PDF folder 2020-08-25 16:12:09 -04:00
Richard Berger df8fb26272
Refactor changes to documentation build 
- Added CMake variables for readability
- Moved Mathjax files to _static to avoid special copy logic
- Moved JPG/lammps-logo.png to _static to avoid special copy logic
- Removed dead CMake code
 2020-08-25 13:41:31 -04:00
Axel Kohlmeyer 3f685c346f
add doxygen integration with conventional and cmake doc build 2020-08-24 17:58:37 -04:00
Axel Kohlmeyer 3c7d59401c
Merge pull request #2107 from junghans/offline_gtest 
cmake: allow to overwrite GTest URL for offline machines
 2020-08-21 10:57:08 -04:00
Axel Kohlmeyer 8e74d5ad02
Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s 2020-08-18 21:29:43 -04:00
Axel Kohlmeyer 265b7cf11c
use new dependency resolver in pip for the documentation build virtual environment 2020-08-11 14:11:44 -04:00
Axel Kohlmeyer d09d40af9d
make check for alternate linke more restrictive: also check for linker binary. 2020-08-03 11:36:02 -04:00
Axel Kohlmeyer 1f1767f5af
convert linker choice to (advanced) choice. only for Clang and GNU at the moment 2020-07-29 17:36:34 -04:00
Axel Kohlmeyer 4d9781f9b6
fix typo an reorder 2020-07-29 11:10:14 -04:00
Axel Kohlmeyer 1677b76b6c
try using faster alternatives to GNU ld when building (many) test executables 2020-07-28 20:56:32 -04:00
Yaser Afshar 05c0b5d5ce Update the deprecated property and fix the empty value on macOS 
The `IMPORTED_LINK_INTERFACE_LIBRARIES` is deprecated and is
updated to `INTERFACE_LINK_LIBRARIES` instead.
On macOS `CMAKE_THREAD_LIBS_INIT` is empty since empty the thread
functions are provided by the system libraries. To avoid getting
`set_target_properties called with incorrect number of arguments` error
message, we put it inside double quotes.
 2020-07-18 15:12:31 -05:00
Axel Kohlmeyer aa82608142
print warning for unknown/unsupported CUDA versions 2020-07-15 11:28:33 -04:00
Axel Kohlmeyer a082895b90
update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11 2020-07-15 11:08:06 -04:00
Axel Kohlmeyer 66271448ae
Merge pull request #2167 from Vsevak/master 
Update GPU CMake and Makefile scripts for ROCm v3.5
 2020-06-26 13:43:32 -04:00
Axel Kohlmeyer cd6de39319
whitespace 2020-06-25 15:35:25 -04:00
Axel Kohlmeyer 3525d1f104
simplify suppression handling by creating a custom local file 2020-06-24 13:35:36 -04:00
Axel Kohlmeyer 5ea9b1b38d
simplify detection and application of valgrind suppressions 2020-06-24 09:33:19 -04:00
Richard Berger 8cec13a038
Add memory checker support in CMake 
If ENABLE_TESTING is ON, you can now use memory checking tools to run the test
suite and check for memory leaks. By default CMake will try to find valgrind in
your path and set some default options.

To customize this behavior use the MEMORYCHECK_COMMAND and
MEMORYCHECK_COMMAND_OPTIONS variables. To run tests with the memory checker,
use the MemCheck action in ctest:

Run entire test suite:

ctest -T MemCheck

Run single test:

ctest -T MemCheck -R TESTNAME

Run test in verbose mode:

ctest -V -T MemCheck -R TESTNAME
 2020-06-23 13:35:59 -04:00
Vsevak 723b9e6760 Try to keep compatibility with deprecated ROCm hcc compiler 2020-06-20 15:17:54 +03:00
Vsevak 2ea5d9956a find_package is unnecessary for rocprim 2020-06-19 00:01:03 +03:00
Vsevak d3baa414d2 Fix cmake for GPU ROCm 3.5 backend 2020-06-17 23:33:16 +03:00
Axel Kohlmeyer 2d52a09d08
patch the source code to the ScaFaCoS lib with a proper fix instead of working around it with compiler flags 2020-06-17 13:01:29 -04:00
Axel Kohlmeyer 34e46cc336
add workaround to USER-SCAFACOS package CMake script for linker error in FMM with GNU gcc 10.0 2020-06-17 07:41:00 -04:00
Axel Kohlmeyer fd8cfed86d
fix typo 2020-06-15 17:33:50 -04:00
Axel Kohlmeyer 14c22a004a
Merge branch 'master' into use-clang-format-demo 
# Conflicts:
#	unittest/force-styles/pair_style.cpp
#	unittest/utils/test_utils.cpp
 2020-06-15 16:14:13 -04:00
Axel Kohlmeyer 4a3d9afb54
Merge pull request #2154 from rbberger/coding_standard 
Add utilities for checking code
 2020-06-15 15:32:35 -04:00
Axel Kohlmeyer 0199e369fa
work around race condition and minimizing download attemps for transparently downloaded potential files 2020-06-15 13:46:54 -04:00
Richard Berger e840fa23f1
Add format-tests target 2020-06-15 11:21:43 -04:00
Axel Kohlmeyer b5ee87697a
workaround for GNU Fortran 10 and later when compiling downloaded ScaFaCoS lib 2020-06-15 10:59:32 -04:00
Richard Berger 49982e22bf
Add check for permissions 2020-06-13 09:54:12 -04:00
Richard Berger fcd3e9a3f9
Make quiet Python 3 check 2020-06-13 08:40:27 -04:00
Axel Kohlmeyer ec6d3586ce
require at least python 3.5 for building docs and import CMake improvements from progguide branch 2020-06-13 01:20:24 -04:00
Richard Berger cf5fa3959c
Add first version of whitespace utility 2020-06-12 21:52:51 -04:00
Axel Kohlmeyer 1a1cc99144
use correct expression for source folder. small output tweak. 2020-06-10 12:41:20 -04:00
Axel Kohlmeyer 6891fa2610
update a few URLs to use https: instead of http: 2020-06-10 12:34:09 -04:00
Axel Kohlmeyer f36a84bdd3
add CMake support for fetching external potential files 2020-06-10 12:29:48 -04:00
Axel Kohlmeyer 78f030a07a
test for *cubin.h files in lib/gpu that conflict with cmake compilation 2020-06-09 07:32:49 -04:00
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
Christoph Junghans 042cfc521b cmake: allow to overwrite GTest URL for offline machines 2020-05-24 19:38:19 -06:00
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