012003c68a
Merge branch 'master' into pair_rann
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# Conflicts:
# cmake/CMakeLists.txt
# cmake/presets/all_off.cmake
# cmake/presets/all_on.cmake
2021-05-26 15:17:30 -04:00
04defbf49c
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-05-25 18:57:34 -04:00
5b548879a7
tell CMake to export all symbols when building .dlls on windows
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this needs a special treatment when compiling with the MinGW cross-compiler
2021-05-25 17:17:54 -04:00
bc063f2e88
make formatting of if statements and string comparisons consistent
2021-05-25 15:06:08 -04:00
a853cd0487
tell CMake to export all symbols when building .dlls on windows
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this needs a special treatment when compiling with the MinGW cross-compiler
2021-05-25 14:37:31 -04:00
61b1126c3d
Merge branch 'master' into pair_rann
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# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
2021-05-24 12:21:04 -04:00
a50c980595
Merge branch 'master' into pair-style-nnp
2021-05-24 12:08:45 -04:00
a0352433c0
Merge pull request #2777 from akohlmey/collected-small-changes
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Collected small changes and fixes
2021-05-24 11:48:04 -04:00
53164321c9
silence CMake warnings with CMake 3.19 and later when cross compiling
2021-05-23 03:37:58 -04:00
14cb45c161
xcode compiler may be reported as AppleClang instead of Clang
2021-05-22 10:40:55 -04:00
0b8c82e906
use correct type for clang-tidy command options
2021-05-19 17:56:26 -04:00
cfb3efb50f
add cmake config option to enable clang-tidy with preferred options
2021-05-19 16:45:43 -04:00
9cf8f96838
Fixed bug, changed build docs
2021-05-17 00:39:06 +02:00
31a55f1f76
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-05-16 22:54:29 +02:00
b21479e20a
Added initial MolSSI Driver interface
2021-05-12 18:31:10 -04:00
92c5951d6c
Update to latest changes from upstream
2021-05-11 17:49:03 -04:00
95285f9365
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-26 23:52:59 +02:00
e4c7c23843
move sanitizer and iwyu configuration to Testing module and update iwyu
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this changes the iwyu configuration so that it will check for using
GNU or Clang only as supported compilers, enforces the necessary recording
of compilation commands in a json file and tweaks the "iwyu" target
to work around an issue with the current iwyu implementation by placing
the "native" runtime of the chosen compiler first
2021-04-24 11:09:09 -04:00
9c21c8e3ef
added upstream changes
2021-04-23 10:42:26 -05:00
b2bfb26161
Merge https://github.com/lammps/lammps into pair_rann
2021-04-23 10:35:35 -05:00
56be6d8ec2
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-20 23:20:14 +02:00
8d10f35acb
display more info about the GPU package setting in the CMake config summary
2021-04-18 20:43:03 -04:00
2a81411029
use linux distro and version info to decide when to look for faster linkers
2021-04-14 20:01:46 -04:00
02612047c3
must set CMAKE_EXPORT_COMPILE_COMMANDS ON for using iwyu
2021-04-12 23:57:30 -04:00
0496626533
Merge branch 'master' into feature/user-pace
2021-04-07 16:26:26 -04:00
6a99f5b5c5
WIP:
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- no auto-download of user-pace src yet
- lib/pace/*.cpp,*.h are provided explicitly yet.
- implement CMake integration in USER-PACE.cmake and in CMakeLists.txt
2021-04-06 17:24:54 +02:00
4e4a571dbd
Add advanced LAMMPS_DOWNLOADS_URL cmake option
2021-04-05 14:31:13 -04:00
e613da98d6
Merge pull request #2650 from akohlmey/plugin-loader
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New PLUGIN package with a LAMMPS plugin loader command
2021-04-02 15:08:44 -04:00
7b9dfb296d
Renamed pair style, user package: nnp => hdnnp
2021-04-01 00:35:17 +02:00
6dfd475175
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-03-31 23:24:11 +02:00
4d96a50edb
Merge branch 'master' of https://github.com/kipbarrett/lammps into pair_rann
2021-03-29 10:55:47 -05:00
e85f945d8e
fix typos
2021-03-26 23:12:29 -04:00
125ae33ccf
convert plugin functionality into a package
2021-03-16 23:00:16 -04:00
347db1458d
always link with libdl.so/.a or equivalent except on windows
2021-03-11 22:34:23 -05:00
897c337e1c
apply suggested improvements and clarifications
2021-03-03 21:27:05 -05:00
26086e04a5
add option to set the runtime path on installation (vs. the default to remove it)
2021-03-03 17:59:05 -05:00
992d0e13aa
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-02-24 23:37:21 +01:00
c56f665c5b
CMake files for finding n2p2
2021-02-23 23:35:18 +01:00
6dbb0230c2
Updated documentation, cleaned source
2021-02-22 22:57:45 +01:00
d5917652d4
remove output that is no longer necessary. settings are adapted automatically
2021-02-20 23:50:55 -05:00
61585b1eb6
make MPI STUBS a C++ library so its symbols won't collide when loading a real MPI library
2021-02-17 15:02:02 -05:00
417e92bc2d
Axels requested revisions
2021-02-11 08:43:04 -06:00
e7bcd1ea43
must purge python/build folder so we don't inherit outdated files
2021-02-09 14:12:43 -05:00
3d46b084e8
must include LAMMPS_MACHINE suffix when installing python package
2021-02-08 11:08:00 -05:00
b8282a1152
search for python 3.9 as preferred version as well
2021-02-08 11:07:13 -05:00
11b2a1e1ac
reorder package names to be in 2 groups (non-user, user) and each sorted alphabetically
2021-02-04 14:58:49 -05:00
fec52f6a48
make CMake script formatting more consistent
2020-12-29 10:40:39 -05:00
4c1f449350
Moved brownian dynamics files to be in USER-BROWNIAN package
2020-12-19 17:42:47 +00:00
4c7f71bef3
Merge branch 'master' into mliappy3
2020-12-18 09:16:44 -05:00
79833f9b83
Merge pull request #2521 from rbberger/python_package
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Turn LAMMPS Python module into Python package
2020-12-17 17:06:03 -05:00
