|
|
62564b0a5c
|
cmake: only use LMP_KOKKOS define in build interface
|
2021-08-17 15:52:09 -06:00 |
|
|
|
d321202908
|
Add change from @junghans
|
2021-08-17 10:27:50 -06:00 |
|
|
|
9fa255b3ff
|
Fix issue when building Kokkos with CMake
|
2021-08-17 10:09:39 -06:00 |
|
|
|
f23b04f9b6
|
update Eigen3 to support the latest stable release 3.3.9
|
2021-08-07 10:09:06 -04:00 |
|
|
|
88604328f5
|
workaround for PGI compilers
|
2021-08-07 10:09:06 -04:00 |
|
|
|
e29bd3d157
|
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
|
2021-08-06 14:07:43 -04:00 |
|
|
|
f39c5178d8
|
update plumed to version 2.7.2 and drop workaround for 2.7.1
|
2021-07-27 09:56:52 -04:00 |
|
|
|
f8f4af471f
|
general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
|
2021-07-21 21:52:25 -04:00 |
|
|
|
600b0d34ca
|
disable install command for build libquip.a (not needed)
|
2021-07-20 19:31:04 -04:00 |
|
|
|
d8ca3e4b16
|
add support for automatically downloading and building libquip
|
2021-07-20 16:00:42 -04:00 |
|
|
|
ac903ec291
|
update list of non-style KOKKOS package sources with newly added file
|
2021-07-10 10:55:07 -04:00 |
|
|
|
d47f2aca53
|
recover compilation with CMake
|
2021-06-29 22:18:27 -04:00 |
|
|
|
878795e64a
|
bulk rename of remaining USER- packages
|
2021-06-29 20:12:59 -04:00 |
|
|
|
2d4bb8f38c
|
rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
|
2021-06-29 19:45:38 -04:00 |
|
|
|
8e185a1a12
|
rename USER-DPD to DPD-REACT
|
2021-06-29 19:41:23 -04:00 |
|
|
|
6ceedb62be
|
rename USER-REAXC to REAXFF
|
2021-06-29 19:37:55 -04:00 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
78d1c8bc7e
|
USER-MOLFILE depends on CMAKE_DL_LIBS when not compiling on Windows
|
2021-06-27 14:39:53 -04:00 |
|
|
|
55c2d51476
|
better support for newer compilers. prefer flang with clang
|
2021-06-12 21:19:05 -04:00 |
|
|
|
b524a0b819
|
correctly remove dependent sources for fix QEQ
|
2021-06-06 18:25:16 -04:00 |
|
|
|
5599deae0a
|
quick-fix to compile plumed-2.7.1 with newer GCC and Clang compilers
|
2021-06-03 19:47:32 -04:00 |
|
|
|
f3ba2d07f8
|
prefer GNU make (aka gmake) over plain "make", to avoid compilation failures
|
2021-06-02 15:14:37 -04:00 |
|
|
|
0895abaa74
|
Update Kokkos CMake file
|
2021-05-27 10:40:31 -06:00 |
|
|
|
04defbf49c
|
Merge remote-tracking branch 'github/master' into collected-small-changes
|
2021-05-25 18:57:34 -04:00 |
|
|
|
bc063f2e88
|
make formatting of if statements and string comparisons consistent
|
2021-05-25 15:06:08 -04:00 |
|
|
|
6a41109cde
|
work around compatibility issues with MPI and classic intel compilers
|
2021-05-22 18:30:25 -04:00 |
|
|
|
47507de276
|
libn2p2 uses M_PI which is non-standard and thus requires -std=gnu++11 with newer MinGW
|
2021-05-22 16:26:36 -04:00 |
|
|
|
6fe5c338a8
|
add comments to document USER-HDNNP cmake scripting
|
2021-05-22 11:54:35 -04:00 |
|
|
|
076412b7ac
|
allow compiler specific ar
|
2021-05-22 11:35:40 -04:00 |
|
|
|
8b76f6ac63
|
disable debug settings and pass platform "ar" program
|
2021-05-22 11:28:06 -04:00 |
|
|
|
42ef13bc06
|
enable C++11 for compiling N2P2 lib with PGI
|
2021-05-22 11:19:54 -04:00 |
|
|
|
14cb45c161
|
xcode compiler may be reported as AppleClang instead of Clang
|
2021-05-22 10:40:55 -04:00 |
|
|
|
5e2b97812e
|
update sed command for BSD sed which doesn't like multiple -e options
|
2021-05-22 10:33:06 -04:00 |
|
|
|
450503cc42
|
pass C++ standard setting flag to N2P2 make (needed for macOS' xcode)
|
2021-05-22 10:30:38 -04:00 |
|
|
|
95427b1fda
|
add support for building with Windows including cross-compilation and MPI-2
|
2021-05-22 07:43:54 -04:00 |
|
|
|
c0b25853cf
|
more cmake tweaks
|
2021-05-21 17:12:11 -04:00 |
|
|
|
a9dfecc27f
|
regularize automatic download build for n2p2 library with CMake
|
2021-05-21 16:16:01 -04:00 |
|
|
|
10961b8cb6
|
update to upstream
|
2021-05-21 16:15:31 -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 |
|
|
|
333f0c0c2a
|
simplify some more
|
2021-05-15 23:01:59 -04:00 |
|
|
|
017643cfa8
|
address various issues in USER-MDI.cmake for downloaded MDI library
|
2021-05-15 21:41:45 -04:00 |
|
|
|
e04f4dde17
|
work around use of non-standard M_PI define in PACE external library
|
2021-05-15 16:39:59 -04:00 |
|
|
|
9cfe665b7a
|
bugfix
|
2021-05-13 11:34:28 -04:00 |
|
|
|
d9505a4527
|
cmake tweaks
|
2021-05-13 08:57:41 -04:00 |
|
