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bd1c5592ab
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Merge pull request #2784 from akohlmey/set-python-home
Internally set PYTHONHOME for LAMMPS on Windows
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2021-05-27 16:45:34 -04:00 |
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b4e5298bf8
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Merge pull request #2783 from stanmoore1/kk_update_3.4.1
Update Kokkos library in LAMMPS to v3.4.1
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2021-05-27 15:10:34 -04:00 |
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89058e8712
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skip bundling GPLv3 lib
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2021-05-27 15:05:27 -04:00 |
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0895abaa74
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Update Kokkos CMake file
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2021-05-27 10:40:31 -06:00 |
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012003c68a
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Merge branch 'master' into pair_rann
# Conflicts:
# cmake/CMakeLists.txt
# cmake/presets/all_off.cmake
# cmake/presets/all_on.cmake
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2021-05-26 15:17:30 -04:00 |
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04defbf49c
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-05-25 18:57:34 -04:00 |
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5b548879a7
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tell CMake to export all symbols when building .dlls on windows
this needs a special treatment when compiling with the MinGW cross-compiler
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2021-05-25 17:17:54 -04:00 |
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c6bf768826
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update list of packages included with cross-compilation
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2021-05-25 16:56:41 -04:00 |
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9e1db61b41
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Merge branch 'master' into pair-style-nnp
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2021-05-25 16:44:55 -04:00 |
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bc063f2e88
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make formatting of if statements and string comparisons consistent
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2021-05-25 15:06:08 -04:00 |
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a853cd0487
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tell CMake to export all symbols when building .dlls on windows
this needs a special treatment when compiling with the MinGW cross-compiler
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2021-05-25 14:37:31 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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dca509a5d8
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update the all on/off CMake presets
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2021-05-24 14:43:13 -04:00 |
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9bafefb4df
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Merge branch 'master' into update-homepage-url
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2021-05-24 14:05:04 -04:00 |
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61b1126c3d
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Merge branch 'master' into pair_rann
# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
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2021-05-24 12:21:04 -04:00 |
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a50c980595
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Merge branch 'master' into pair-style-nnp
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2021-05-24 12:08:45 -04:00 |
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a0352433c0
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Merge pull request #2777 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-05-24 11:48:04 -04:00 |
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0b538b1922
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add tool to fix LAMMPS homepage URLs
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2021-05-23 19:49:32 -04:00 |
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53164321c9
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silence CMake warnings with CMake 3.19 and later when cross compiling
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2021-05-23 03:37:58 -04:00 |
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ba854ec7c3
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changes required to cross-compile unit tests for windows
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2021-05-23 01:46:14 -04:00 |
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d2fe5e6ec8
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include compiler optimization with certain build types when using presets
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2021-05-22 18:35:56 -04:00 |
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6a41109cde
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work around compatibility issues with MPI and classic intel compilers
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2021-05-22 18:30:25 -04:00 |
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47507de276
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libn2p2 uses M_PI which is non-standard and thus requires -std=gnu++11 with newer MinGW
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2021-05-22 16:26:36 -04:00 |
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6fe5c338a8
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add comments to document USER-HDNNP cmake scripting
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2021-05-22 11:54:35 -04:00 |
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076412b7ac
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allow compiler specific ar
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2021-05-22 11:35:40 -04:00 |
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8b76f6ac63
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disable debug settings and pass platform "ar" program
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2021-05-22 11:28:06 -04:00 |
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42ef13bc06
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enable C++11 for compiling N2P2 lib with PGI
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2021-05-22 11:19:54 -04:00 |
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14cb45c161
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xcode compiler may be reported as AppleClang instead of Clang
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2021-05-22 10:40:55 -04:00 |
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5e2b97812e
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update sed command for BSD sed which doesn't like multiple -e options
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2021-05-22 10:33:06 -04:00 |
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450503cc42
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pass C++ standard setting flag to N2P2 make (needed for macOS' xcode)
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2021-05-22 10:30:38 -04:00 |
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3083756a64
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include USER-HDNNP in MinGW64 cross-compilation build
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2021-05-22 08:03:29 -04:00 |
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95427b1fda
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add support for building with Windows including cross-compilation and MPI-2
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2021-05-22 07:43:54 -04:00 |
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c0b25853cf
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more cmake tweaks
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2021-05-21 17:12:11 -04:00 |
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a9dfecc27f
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regularize automatic download build for n2p2 library with CMake
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2021-05-21 16:16:01 -04:00 |
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10961b8cb6
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update to upstream
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2021-05-21 16:15:31 -04:00 |
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0b8c82e906
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use correct type for clang-tidy command options
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2021-05-19 17:56:26 -04:00 |
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cfb3efb50f
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add cmake config option to enable clang-tidy with preferred options
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2021-05-19 16:45:43 -04:00 |
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9cf8f96838
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Fixed bug, changed build docs
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2021-05-17 00:39:06 +02:00 |
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31a55f1f76
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-05-16 22:54:29 +02:00 |
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333f0c0c2a
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simplify some more
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2021-05-15 23:01:59 -04:00 |
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e4a24445c4
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include USER-PACE in Windows package
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2021-05-15 22:17:10 -04:00 |
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017643cfa8
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address various issues in USER-MDI.cmake for downloaded MDI library
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2021-05-15 21:41:45 -04:00 |
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e04f4dde17
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work around use of non-standard M_PI define in PACE external library
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2021-05-15 16:39:59 -04:00 |
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8062323b93
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update presets to reflect recently added packages
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2021-05-15 10:19:01 -04:00 |
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9cfe665b7a
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bugfix
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2021-05-13 11:34:28 -04:00 |
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d9505a4527
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cmake tweaks
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2021-05-13 08:57:41 -04:00 |
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74db24110f
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Fix bug when using mdi_engine command in parallel
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2021-05-12 18:31:10 -04:00 |
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eacfe05e0f
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Fix bug in MDI cmake build
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2021-05-12 18:31:10 -04:00 |
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43935724ba
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Fix bugs in MDI cmake config
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2021-05-12 18:31:10 -04:00 |
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b21479e20a
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Added initial MolSSI Driver interface
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2021-05-12 18:31:10 -04:00 |
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