mkanski
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f2f49e60bf
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Make some errors more elaborate + change some error->all to error->one
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2019-04-03 18:12:12 +02:00 |
Axel Kohlmeyer
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f73ccc3025
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Merge pull request #1402 from akohlmey/collected-small-changes
Collected changes for improving CI testing, CMake, and coding convention compliance
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2019-04-03 10:51:40 -04:00 |
Axel Kohlmeyer
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1696432e82
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resolve conflict between src/STUBS/mpi.h and lib/message/cslib/src/STUBS_MPI/mpi.h
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2019-04-03 01:00:53 -04:00 |
Axel Kohlmeyer
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7372e8fde1
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must add STUBS_MPI to cslib includes when compiling without MPI
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2019-04-03 00:41:03 -04:00 |
Axel Kohlmeyer
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f17aff6331
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add some missing entries to src/USER-MISC/README
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2019-04-03 00:24:36 -04:00 |
Axel Kohlmeyer
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537704fdaa
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eliminate the use of the "using" keyword in headers of the KOKKOS package
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2019-04-03 00:13:52 -04:00 |
Axel Kohlmeyer
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52a13f31b3
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remove "using namespace" from header
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2019-04-03 00:04:12 -04:00 |
Axel Kohlmeyer
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f02b364e6e
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remove "using namespace" from header and include required header
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2019-04-03 00:03:34 -04:00 |
Axel Kohlmeyer
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40f1662c93
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reduce compiler warnings
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2019-04-02 23:44:00 -04:00 |
Axel Kohlmeyer
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6cb120d691
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get rid of "using" in USER-REAXC header
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2019-04-02 23:20:53 -04:00 |
Axel Kohlmeyer
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a149fdb420
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forgot MESSAGE package in all_on/off.cmake preset
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2019-04-02 23:19:37 -04:00 |
Axel Kohlmeyer
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b1070f4703
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must add USER-SCAFACOS to nolib.cmake preset, as it requires GSL
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2019-04-02 23:10:59 -04:00 |
Axel Kohlmeyer
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778537e734
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update micelle example for improved reproducibility
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2019-04-02 22:32:15 -04:00 |
Axel Kohlmeyer
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921d3dadf8
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Merge pull request #1400 from akohlmey/collected-small-changes
Refactor USER-INTEL support in CMake and support Linux-2-Windows cross-compiling with CMake
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2019-04-02 17:48:21 -04:00 |
Axel Kohlmeyer
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bd923d8bd4
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fix second typo in the same word. i need a break... :-(
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2019-04-02 17:33:35 -04:00 |
Axel Kohlmeyer
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6411ff8359
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transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration
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2019-04-02 17:25:26 -04:00 |
Axel Kohlmeyer
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4a003644fe
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fix typo
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2019-04-02 16:41:02 -04:00 |
Axel Kohlmeyer
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365166fef0
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print warning messages about calls to self only once
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2019-04-02 16:01:42 -04:00 |
Axel Kohlmeyer
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34b023456b
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add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions
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2019-04-02 15:28:48 -04:00 |
Axel Kohlmeyer
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978b52ee8c
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add warning/status messages about skipping TBB malloc and MKL RNG
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2019-04-02 15:06:56 -04:00 |
Axel Kohlmeyer
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98bd720c68
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improved formatting of cmake settings and presets related docs
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2019-04-02 14:56:51 -04:00 |
Axel Kohlmeyer
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4824992a1e
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update documentation for recent changes to CMake presets
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2019-04-02 14:31:13 -04:00 |
Axel Kohlmeyer
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5a75125426
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add some popular packages requiring libraries to most.cmake preset
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2019-04-02 14:30:34 -04:00 |
Axel Kohlmeyer
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cb5c3f900e
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add minimal.cmake and most.cmake presets
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2019-04-02 12:41:12 -04:00 |
Axel Kohlmeyer
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74ce164457
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restore lost edit to all_on.cmake and all_off.cmake that syncs the list of packages
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2019-04-02 12:06:51 -04:00 |
Axel Kohlmeyer
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3eab343821
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give access to LAMMPS object and wrap in macros for optional exception handling
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2019-04-02 11:49:08 -04:00 |
Axel Kohlmeyer
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fd7c680654
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the lammps_gather_atom*() and lammps_scatter_atom() library functions are not compatible with -DLAMMPS_BIGBIG. divert to dummy functions resulting in error exists.
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2019-04-02 11:39:46 -04:00 |
Axel Kohlmeyer
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764fb2522b
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abort already in cmake when including USER-INTEL with -DLAMMPS_BIGBIG
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2019-04-02 11:21:25 -04:00 |
Axel Kohlmeyer
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ef184c9b1b
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remove presets, that try to mimic settings from the conventional build, but make little sense with cmake
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2019-04-02 09:34:03 -04:00 |
Axel Kohlmeyer
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0ab65c0343
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update docs for building LAMMPS for windows
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2019-04-02 07:12:55 -04:00 |
Axel Kohlmeyer
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800f3a81b1
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update documentation for changes in USER-INTEL support in CMake
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2019-04-02 06:59:19 -04:00 |
Axel Kohlmeyer
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91f3a94851
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fix typo in docs
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2019-04-02 05:49:25 -04:00 |
Risto Toijala
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d1cb8970d5
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fix elstop: Remove unused includes
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2019-04-02 09:29:27 +03:00 |
Dan S. Bolintineanu
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d3ea115436
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Tweaks to doc page
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2019-04-01 22:13:49 -06:00 |
Axel Kohlmeyer
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c044eeb482
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update nolib.cmake and change it so it disables all packages requiring some external library or equivalent
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2019-04-01 22:23:36 -04:00 |
Axel Kohlmeyer
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2fc7395c14
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add some comments to updated all-on / all-off presets
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2019-04-01 22:22:31 -04:00 |
Axel Kohlmeyer
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719a74a02f
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must include omp.h header when using OpenMP API functions
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2019-04-01 22:10:55 -04:00 |
Axel Kohlmeyer
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b1badb6555
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update all-on and all-off presets for recently added and removed packages
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2019-04-01 22:09:58 -04:00 |
julient31
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0b8332cedf
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Commit2 JT 040119
- improved verbose output
- work on examples
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2019-04-01 17:52:59 -06:00 |
Axel Kohlmeyer
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200aa2d06f
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missed a few packages in cross-compiler preset
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2019-04-01 18:50:53 -04:00 |
Axel Kohlmeyer
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3a0b108f91
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reformat
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2019-04-01 18:22:06 -04:00 |
julient31
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677974573a
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Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
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2019-04-01 16:12:11 -06:00 |
Axel Kohlmeyer
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76b848bb0a
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include USER-INTEL, but need to disable support for LRT mode
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2019-04-01 17:58:19 -04:00 |
julient31
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a0e5d14990
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Commit JT 040119
- corrected tangent vector projection
- output verbose (Gradidottan)
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2019-04-01 15:53:36 -06:00 |
Axel Kohlmeyer
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35129c0881
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posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
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2019-04-01 17:51:53 -04:00 |
Axel Kohlmeyer
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70ae5f41e3
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tweaks for compiling USER-INTEL in cpu mode on Windows with GCC
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2019-04-01 17:46:25 -04:00 |
Axel Kohlmeyer
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a7bb772db7
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Merge branch 'refactor-user-intel-cmake' into collected-small-changes
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2019-04-01 17:39:43 -04:00 |
Axel Kohlmeyer
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8d8f0af7a6
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add download flags to mingw preset
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2019-04-01 17:38:53 -04:00 |
Axel Kohlmeyer
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d5aa60dbfe
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skip inline function optimizations for windows when compiling with mingw
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2019-04-01 17:23:27 -04:00 |
Axel Kohlmeyer
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b7aecc0d59
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avoid linking with -ldl on windows, as it is not needed or supported
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2019-04-01 17:22:53 -04:00 |