|
|
fcd3e9a3f9
|
Make quiet Python 3 check
|
2020-06-13 08:40:27 -04:00 |
|
|
|
cf5fa3959c
|
Add first version of whitespace utility
|
2020-06-12 21:52:51 -04:00 |
|
|
|
b9303378ac
|
move pair style mesocnt from USER-MISC to (upcoming) USER-MESONT package
the remaining documentation and README files will be updated once USER-MESONT is integrated
|
2020-06-11 17:41:19 -04:00 |
|
|
|
1a1cc99144
|
use correct expression for source folder. small output tweak.
|
2020-06-10 12:41:20 -04:00 |
|
|
|
6891fa2610
|
update a few URLs to use https: instead of http:
|
2020-06-10 12:34:09 -04:00 |
|
|
|
f36a84bdd3
|
add CMake support for fetching external potential files
|
2020-06-10 12:29:48 -04:00 |
|
|
|
e47d48eed8
|
Change output message and use list(APPEND)
|
2020-06-09 12:10:35 -04:00 |
|
|
|
954f728225
|
Always set CMAKE_LIBRARY_PATH if environment variable LIBRARY_PATH is set
This resolves issues such as CUDA_CUDA_LIBRARY NOTFOUND if LIBRARY_PATH is
set to the CUDA stubs folder, but ignored by CMake.
|
2020-06-09 11:30:54 -04:00 |
|
|
|
78f030a07a
|
test for *cubin.h files in lib/gpu that conflict with cmake compilation
|
2020-06-09 07:32:49 -04:00 |
|
|
|
2a4bd9ef53
|
small tweaks and documentation update to coverage cleaning targets
|
2020-05-29 08:33:34 -04:00 |
|
|
|
30020594df
|
add custom target to remove/reset collected coverage data
|
2020-05-29 08:23:25 -04:00 |
|
|
|
0c503ab122
|
Move coverage html into folder
|
2020-05-29 08:23:08 -04:00 |
|
|
|
8691579def
|
Merge pull request #2098 from lammps/unittest
Add first part of an integrated unit test framework
|
2020-05-20 15:44:52 -04:00 |
|
|
|
58ca1dcf8e
|
Merge pull request #2094 from akohlmey/collected-small-changes
Collected small changes and bug fixes for the next patch release
|
2020-05-20 14:33:34 -04:00 |
|
|
|
c04a71a239
|
add unit test framework for pair, bond, angle styles from progguide branch
|
2020-05-19 22:24:31 -04:00 |
|
|
|
48a9e0d732
|
consolidate setting CMake policy CMP0074 into main cmake file
|
2020-05-19 15:20:41 -04:00 |
|
|
|
16db223d03
|
update test for whether to set CMake policy CMP0074 is needed.
|
2020-05-19 11:53:47 -04:00 |
|
|
|
93fe33553a
|
need to set CMake policy CMP0074 to NEW behavior also for finding TBB Malloc
|
2020-05-18 17:50:28 -04:00 |
|
|
|
6f0a56c176
|
cmake: fftw is now a private dep
|
2020-05-15 13:42:51 -06:00 |
|
|
|
e36d2ce3e6
|
Do not use -ffast-math by default. Too large a chance of miscompiled code.
|
2020-05-14 20:48:43 -04:00 |
|
|
|
cbd4ce5130
|
Use absolute path to LAMMPS_DIR for collecting git info
|
2020-05-08 16:04:55 -04:00 |
|
|
|
3b77546eb9
|
Merge pull request #2069 from junghans/latte_v1.2.2
latte: bump to v1.2.2
|
2020-05-07 14:27:19 -04:00 |
|
|
|
5fa7e138ea
|
Merge pull request #2070 from junghans/kokkos_v3.1.01
cmake: bump kokkos to v3.1.01
|
2020-05-07 14:16:56 -04:00 |
|
|
|
66994562e6
|
cmake: bump kokkos to v3.1.01
|
2020-05-05 11:46:09 -06:00 |
|
|
|
fe62e1dbc9
|
latte: bump to v1.2.2
|
2020-05-05 10:51:11 -06:00 |
|
|
|
fc7b1dc4fd
|
Merge branch 'cmake_enable_chain.x' of github.com:junghans/lammps into cmake_enable_chain.x
|
2020-05-05 11:27:40 -04:00 |
|
|
|
b933538dfa
|
tweak tbbmalloc search path for intel 19.1 compiler
|
2020-05-05 11:27:19 -04:00 |
|
|
|
8a114fca97
|
cmake: include where it is used
|
2020-05-05 08:53:49 -06:00 |
|
|
|
9708b58939
|
check for fortran instead of directly enabling it
|
2020-05-05 10:41:18 -04:00 |
|
|
|
bcd50646b4
|
don't enable fortran if the generator does not support it.
|
2020-05-05 10:23:04 -04:00 |
|
|
|
b5af7da2c6
|
cmake: enable Fortran before checking for the compiler
|
2020-05-05 07:10:42 -06:00 |
|
|
|
71ab9dc02b
|
Merge pull request #2049 from rbberger/singularity_container_update
Singularity container update
|
2020-05-04 17:27:54 -04:00 |
|
|
|
61284891ee
|
add a few more packages to the "most" preset
|
2020-05-03 05:04:07 -04:00 |
|
|
|
f1e1644fe1
|
fix typo that resulted in LAPACK not being properly linked with USER-ATC
|
2020-05-03 04:55:25 -04:00 |
|
|
|
d811fd0da7
|
skip building chain.x, if no Fortran compiler is available
|
2020-05-03 04:23:52 -04:00 |
|
|
|
fdb4ba51da
|
add patch to VORONOI package external build so it will compile with BSD make
|
2020-05-03 04:04:02 -04:00 |
|
|
|
f5be3ccab4
|
add the check for MPI in USER-ATC at the correct location
|
2020-05-03 03:06:41 -04:00 |
|
|
|
863b50501c
|
port MPI stubs workaround to USER-ATC
|
2020-05-03 02:49:52 -04:00 |
|
|
|
696308a760
|
set cmake policy to honor HDF5_ROOT and NETCDF_ROOT. search for parallel NetCDF only with parallel builds
|
2020-04-29 22:39:33 -04:00 |
|
|
|
1adda03202
|
cmake: only install shared lib and friends
|
2020-04-29 18:06:33 -06:00 |
|
|
|
600d357155
|
cmake: disable installing of static libs
|
2020-04-29 16:26:56 -06:00 |
|
|
|
ef3e071067
|
GPU.cmake: localize hackery
|
2020-04-28 07:43:31 -06:00 |
|
|
|
24fe5bc187
|
cmake: reenable CMAKE_TUNE_FLAGS check
|
2020-04-28 06:03:34 -06:00 |
|
|
|
6be36196da
|
explicitly include STUBS MPI headers for serial compile since we seem to pick up the OpenMP ones otherwise
|
2020-04-28 01:36:21 -04:00 |
|
|
|
705c10ef47
|
restore original command
|
2020-04-28 01:12:49 -04:00 |
|
|
|
d931365e4e
|
fix typos
|
2020-04-28 01:11:54 -04:00 |
|
|
|
d3017744a9
|
updates for building with hip
|
2020-04-28 00:39:11 -04:00 |
|
|
|
b362a06ca3
|
(temporarily) disable CMAKE_TUNE_FLAGS verification script code
|
2020-04-27 23:17:43 -04:00 |
|
|
|
dd5ebb0a81
|
add preset to compile with hcc
|
2020-04-27 22:30:17 -04:00 |
|
|
|
29d667721a
|
tweak GPU.cmake so that hip_get_devices compiles and links
|
2020-04-27 22:29:41 -04:00 |
|
