1dc25b0e10
rename USER-OMP to OPENMP
2021-06-29 17:48:22 -04:00
c085e55695
rename USER-SMD package to MACHDYN
2021-06-29 17:19:39 -04:00
8bf6805e1d
rename USER-LB to LATBOLTZ
2021-06-29 17:07:14 -04:00
dc3efd17d2
rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
2021-06-29 16:59:05 -04:00
995195606e
rename USER-RANN to ML-RANN
2021-06-29 16:32:06 -04:00
d52cd88492
rename USER-QUIP to ML-QUIP
2021-06-29 15:55:41 -04:00
fd24820603
rename USER-PACE to ML-PACE
2021-06-29 15:45:50 -04:00
031e537d3f
rename USER-HDNNP to ML-HDNNP
2021-06-29 15:38:45 -04:00
efaec31a84
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
2021-06-29 15:28:27 -04:00
e482502691
rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
2021-06-29 11:06:59 -04:00
55c2d51476
better support for newer compilers. prefer flang with clang
2021-06-12 21:19:05 -04:00
ffd1b2bfa9
fix compilation issue
2021-06-07 11:48:13 -04:00
7322066dde
use alternate approach for dealing with Package style dependency issues
2021-06-06 18:39:19 -04:00
c5412db1a4
correct package dependency handling
2021-06-05 17:26:24 -04:00
75e5ad4c7a
correct CMake support (also fix some bugs for other packages)
2021-06-05 15:48:25 -04:00
02707d7a0d
add CMake support
2021-06-05 12:11:36 -04:00
012003c68a
Merge branch 'master' into pair_rann
...
# 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
...
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
...
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
...
# 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
...
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
...
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:
...
- 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
...
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
