c52a330a79
update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script
2019-04-04 14:19:53 -04:00
7372e8fde1
must add STUBS_MPI to cslib includes when compiling without MPI
2019-04-03 00:41:03 -04:00
6411ff8359
transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration
2019-04-02 17:25:26 -04:00
978b52ee8c
add warning/status messages about skipping TBB malloc and MKL RNG
2019-04-02 15:06:56 -04:00
764fb2522b
abort already in cmake when including USER-INTEL with -DLAMMPS_BIGBIG
2019-04-02 11:21:25 -04:00
70ae5f41e3
tweaks for compiling USER-INTEL in cpu mode on Windows with GCC
2019-04-01 17:46:25 -04:00
a7bb772db7
Merge branch 'refactor-user-intel-cmake' into collected-small-changes
2019-04-01 17:39:43 -04:00
b7aecc0d59
avoid linking with -ldl on windows, as it is not needed or supported
2019-04-01 17:22:53 -04:00
3bf4cd9c01
major refactor of USER-INTEL support in CMake
...
- decouple from USER-OMP
- decouple from OpenMP support
- make MKL and TBB optional
- support compilers other than Intel (but print warning about bad performance)
- expose Long-range thread support selection to CMake
- fix bugs and typos and add missing code, so that it actually compiles and includes all styles
2019-03-31 17:17:07 -04:00
fa407c05a1
neither KOKKOS nor USER-INTEL require OpenMP; they can be built without
2019-03-31 15:00:53 -04:00
17cd650622
Merge branch 'master' into collected-small-changes
2019-03-29 11:35:15 -04:00
747ddf2642
expose -DCUDA_PROXY define to CMake so that the GPU package can be used with nvidia MPS proxy server
2019-03-28 17:15:05 -04:00
9d0e518cc5
Updates for kim-api-2.0.2 release
2019-03-28 15:35:22 -05:00
e63d2cee87
Merge pull request #1375 from akohlmey/install-python-for-cmake
...
Refactor python module installer and add install-python target to CMake
2019-03-27 16:47:25 -04:00
3867972ae8
make PYTHON_INSTDIR a cached variable and implement changes suggested by @junghans
2019-03-26 22:08:53 -04:00
07a6749ddc
install LAMMPS python module with either install-python or install target if prerequisites are given
2019-03-26 16:00:48 -04:00
2f20581b29
Merge pull request #1374 from akohlmey/collected-small-fixes
...
Collected small changes for the next patch release
2019-03-25 13:15:45 -04:00
5d54e888d5
Merge pull request #1371 from akohlmey/add-kim-query
...
Add kim_query command to KIM package
2019-03-25 13:15:20 -04:00
414f9b25d1
cmake: move lmpgitversion generation to build phase
2019-03-23 08:01:41 -06:00
52f9e4a960
allow overriding the location of the molfile plugin headers with CMake
2019-03-22 14:11:02 -04:00
e50c269a6b
add install-python target with suitable error message also when not building a shared library
2019-03-22 12:51:57 -04:00
04f999fdd6
add install-python target to CMake build system. decouple python module install from python package
2019-03-22 12:35:21 -04:00
fed48427be
update lib/kim/Install.py to support md5 checksum. update CMake support as needed
2019-03-19 15:48:03 -04:00
4e632d1b79
implement another suggestion from @junghans
2019-03-06 17:32:08 -05:00
2918dae87e
correct variable name and path to find the local .git folder
2019-03-06 17:12:41 -05:00
fe56cf04bc
simplify the detection of whether the source folder is checked out from a local git repo
2019-03-06 17:04:14 -05:00
c5a3b034ce
implement various suggestions to improve the use of git information gathered
2019-03-05 17:29:34 -05:00
1e573bd557
when compiling LAMMPS in a git checkout, embed and print git branch and revision info into the executable
2019-03-05 08:35:53 -05:00
326a97624e
Merge pull request #1317 from ornladios/adios2-master
...
USER-ADIOS package with ADIOS 2.x
2019-02-27 17:24:12 -05:00
54e5c76333
Bump KIM API version to 2.0.1
2019-02-27 15:50:08 -06:00
75fe967876
remove fluff about adios in CMakeLists.txt.
2019-02-20 09:02:24 -05:00
9c52a37546
PIMPL implementation of USER-ADIOS to hide internal data from style header file
2019-02-20 09:02:24 -05:00
24234d3a0b
Fixed cmake build for ADIOS 2.x
2019-02-20 09:02:24 -05:00
8db88b1c02
Added initial untested ADIOS 2.x code with cmake building problems
2019-02-20 09:02:24 -05:00
c2725f5a49
forward build type setting to compiling downloaded KIM API
2019-02-15 03:53:09 -05:00
afa50ab61a
update pathspec when linking KIM API from downloaded archive
2019-02-15 02:21:07 -05:00
333154633b
Merge branch 'master' into kim-v2-update
2019-02-14 13:29:50 -06:00
9ac908f05f
switch download server for voro++ from LBL to download.lammps.org, which seems much more reliable
2019-02-13 09:53:20 -05:00
927dc262b2
Update CMake & Install.py for KIM API v2
2019-02-06 23:41:45 -06:00
d677335b23
Merge remote-tracking branch 'lammps/master' into kim-v2-update
2019-02-03 12:45:44 -06:00
f2a977884c
Merge pull request #1290 from akohlmey/python-script-portability
...
Use argparse module in for Install.py scripts in lib and further portability and consistency enhancements. Some lint removal as well.
2019-02-01 01:18:40 +01:00
ef5c327f74
Merge branch 'master' into collected-small-changes
2019-01-31 11:45:15 +01:00
53f600ea35
use enable all available plumed modules when using download/compile mode
2019-01-26 09:55:48 -05:00
9caf0ce3e1
add USER-YAFF package to build system
2019-01-22 12:17:04 -05:00
23ce00f366
Merge remote-tracking branch 'lammps/master' into kim-v2-update
2019-01-16 21:49:14 -06:00
d01c28002f
update plumed support to use newer version of the library
2019-01-14 17:47:36 -05:00
b20be581c1
update Eigen3 download to version 3.3.7 for CMake as well
2019-01-14 15:02:09 -05:00
6fbd0c08cc
if we want to check for C++ includes, we should now check for cmath not math.h
2019-01-10 16:50:00 -05:00
444dcca433
Merge pull request #1254 from akohlmey/remove-reax-meam
...
Remove REAX and MEAM packages
2018-12-29 13:06:07 -05:00
92e1cbe788
cmake: find install location of FindLAMMPS.cmake
2018-12-28 17:57:13 -07:00
