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
74db24110f
Fix bug when using mdi_engine command in parallel
2021-05-12 18:31:10 -04:00
eacfe05e0f
Fix bug in MDI cmake build
2021-05-12 18:31:10 -04:00
43935724ba
Fix bugs in MDI cmake config
2021-05-12 18:31:10 -04:00
b21479e20a
Added initial MolSSI Driver interface
2021-05-12 18:31:10 -04:00
dfb15e76c3
Merge branch 'master' of https://github.com/lammps/lammps into kk_update_3.4.0
2021-05-12 08:14:03 -06:00
69d081cd6a
prefer system provided OpenCL library on macOS
2021-05-07 09:28:13 -04:00
8cf2cd5875
update for 32-bit MinGW64 compatibility
2021-05-03 11:38:41 -04:00
37cd51f3e4
tar file was updated one more time
2021-05-02 23:30:02 -04:00
7e04c6933d
update opencl-loader library to be compatible with mingw 8 and later
2021-05-02 22:04:27 -04:00
b4a70880d9
Merge pull request #2745 from rbberger/gpu_updates
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Updates to the GPU package
2021-04-30 19:32:44 -04:00
17242550c1
Update comment
2021-04-30 17:09:48 -04:00
d8220e2773
CMake: Rebuild OpenCL kernel headers when code changes
2021-04-30 17:04:12 -04:00
8b13d75e7f
update OpenCL loader library to the 3.0.7 specs
2021-04-30 09:28:56 -04:00
ceb173135b
Merge pull request #2737 from ab5424/patch
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Update USER-INTEL.cmake
2021-04-27 22:32:30 -04:00
6375b91bd7
Update USER-INTEL.cmake
2021-04-27 17:13:03 +02:00
de3cdfa44b
Fix typo
2021-04-26 20:53:10 -06:00
e95615c6a5
Update Kokkos cmake file
2021-04-26 20:43:36 -06:00
95285f9365
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-26 23:52:59 +02:00
ad843f977f
Auto-download works now for CMake build.
2021-04-26 23:46:27 +02:00
18215ff3e7
Merge remote-tracking branch 'origin/master' into more-unit-tests
2021-04-26 14:48:14 -04:00
792966a957
always describe the git version, even when using a git clone without history
2021-04-26 11:02:15 -04:00
07d4b09eb6
Updated CMake files, auto-download not yet working
2021-04-26 00:03:07 +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
93691ca939
Merge pull request #2723 from rbberger/gpu_cmake
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CMake: Add missing defines to GPU kernel compilation
2021-04-23 21:19:20 -04:00
f47333bebf
Update MathJax to 3.1.4 hotfix version
2021-04-23 16:38:54 -04:00
6a1a58d727
Added CMake imported target N2P2::N2P2
2021-04-23 17:56:35 +02:00
4ccb4c9603
CMake: Add missing defines to GPU kernel compilation
2021-04-22 18:46:07 -04:00
53a0ded240
update MathJax version for CMake based doc build
2021-04-22 16:26:49 -04:00
eb85edfb3d
make naming of the compiled pace library consistent with those of other libs
2021-04-22 00:15:14 -04:00
56be6d8ec2
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-20 23:20:14 +02:00
90d3b65691
Minor changes for CMake build tested
2021-04-20 22:55:26 +02:00
7a97331e51
add support for Plumed2 version 2.5.7, 2.6.3, 2.7.1
2021-04-16 12:38:00 -04:00
