1df430aef4
align with doc folder makefile
2022-04-21 12:02:05 -04:00
96e22b1104
disable CUDA support with Eigen3
2022-04-20 18:50:55 -04:00
c62e2ad4d1
disable warnings with PGI/NVHPC compilers and import CMAKE_TUNE_FLAGS
2022-04-20 17:39:33 -04:00
64b1c45a49
update MDI library and checksum
2022-04-14 17:27:20 -04:00
f3363070e7
remove support for CUDA toolkits before version 8 and GPUs older than Kepler
2022-04-12 15:48:16 -04:00
1a2d83ab01
HDF5 library may be parallel which is an error with serial LAMMPS
2022-04-10 12:07:54 -04:00
674d2a6788
Merge branch 'develop' into remove-message-package
2022-04-09 00:25:11 -04:00
093667799d
Merge branch 'develop' into mdi-expand
2022-04-08 20:58:53 -04:00
521d45dcc6
remove MESSAGE package from CMake
2022-04-08 18:00:36 -04:00
ab0e5d5568
Fix for building GPU backend on ROCm 5.0+
...
Change-Id: I32ad9be86d6a0467ccae555a1d0272813c905e97
2022-04-07 17:48:03 -04:00
ff107315cb
need to always extract the path to MPI include directory
2022-03-26 23:20:57 -04:00
a4018dbb4b
update MDI library to version 1.3.0
2022-03-23 17:18:19 -04:00
fc532ae1a0
list submodules to be updated explicitly for compatibility with CMake 3.16 and later
2022-03-17 16:53:44 -04:00
ca76ff360f
augment cmake library search path to include the CUDA stubs library folder
...
this will help configuring and compiling LAMMPS with CUDA support on
machines where there is no CUDA driver installed
2022-03-10 21:17:58 -05:00
11ba2adbe7
add support for plumed 2.6.6, 2.7.4, and 2.8.0 (default 2.7.4)
2022-02-25 16:34:37 -05:00
f3c055e637
Undo change that forces BUILD_SHARED_LIBS=off
2022-02-15 14:53:18 -05:00
5f47ff770c
Merge pull request #3127 from akohlmey/gpu-opencl-updates
...
Update compiling OpenCL loader lib
2022-02-14 16:10:53 -05:00
9d518ee1e2
must ensure that BUILD_SHARED_LIBS retains its original value
2022-02-13 10:00:19 -05:00
78d149f118
update to download improved loader sources that make installing optional
2022-02-12 13:21:10 -05:00
99c1b935b5
convert OpenCL loader build from ExternalProject_add to ExternalCMakeProject
2022-02-11 23:49:08 -05:00
a5fe8b0581
update OpenCL loader to latest OpenCL spec sources
2022-02-11 22:01:04 -05:00
c32dca2009
avoid failures with "most" presets
2022-02-10 20:11:27 -05:00
4d5bb08ead
make searching for python interpreter and development version futureproof and more consistent
2022-02-10 14:41:25 -05:00
9bfd6375eb
avoid triggering bogus make file target errors
2022-02-03 18:00:34 -05:00
6bfb7a5521
require OpenMP 4 or later for KOKKOS with OpenMP enabled
2022-02-03 16:07:33 -05:00
b7b7a74c52
when building KOKKOS as part of the LAMMPS build, always build static libs
2022-02-03 12:23:25 -05:00
76c57d54c1
Merge pull request #3102 from akohlmey/mpi-stubs-simplify
...
Porting unit tests to run natively on Windows
2022-01-31 21:37:48 -05:00
af8d1bd768
fix typo
2022-01-30 09:00:39 -05:00
4b22962ec1
roll back MPI target alias change one more time. must wait until CMake 3.11 or later is minimum
2022-01-30 08:47:46 -05:00
dc0e013297
create alias target MPI::ANY_CXX to be used instead of MPI::MPI_CXX
...
With this alias it is possible to transparently refer to either the
real imported MPI library or to the MPI stub library. this further
reduced the need for if statements related to MPI. Some uses of
MPI::MPI_CXX remain but they are all in branches of the script code
where BUILD_MPI is enabled and thus the imported target will be present.
2022-01-30 07:48:16 -05:00
d6fa3a08cd
roll back library aliasing changes as that negatively interferes with unit tests
2022-01-28 21:54:32 -05:00
17cb137f3e
Merge branch 'master' into OptimizedDynamicalMatrix
2022-01-28 11:08:31 -08:00
db4e69bf38
further simplification by making STUBS an interface and alias to MPI::MPI_CXX
2022-01-28 01:00:37 -05:00
d391ae845b
convert static class members with git info to functions to simplify auto-export on Windows
2022-01-27 17:20:05 -05:00
62ff23abe7
simplify building serial executables by incorporating the STUBS/mpi.o object in LAMMPS library
2022-01-27 15:59:48 -05:00
053d915fc4
drop -ffast-math for HIP also when compiling with CMake
2021-12-27 20:14:30 -05:00
88f8e41702
PHONON package is now only a soft dependency on KSPACE
2021-12-18 18:22:47 -05:00
40c0925cb4
Updated and added third order kokkos
2021-12-14 14:25:49 -08:00
5b57d662c3
Merge branch 'develop' into OptimizedDynamicalMatrix
2021-12-14 08:35:58 -05:00
6e05aff3bf
Update CMake utility function get_lammps_version()
...
With the introduction of LAMMPS_UPDATE, version.h is no longer a single line
file. With this change the CMake utility will only process the LAMMPS_VERSION
line. Fixes issue #3038
2021-12-11 15:08:40 -05:00
abd3df0c5a
Merge pull request #3040 from akohlmey/collected-small-changes
...
Collected small changes and bugfixes
2021-12-10 15:51:13 -05:00
4d4c04dd7c
include support for building with plumed 2.7.3 and 2.6.5
2021-12-01 10:56:23 -05:00
420c1097a9
Update Kokkos CMake file
2021-11-30 11:02:11 -07:00
367c9dff05
Compilable kokkos dynamical matrix command
2021-11-09 15:21:39 -08:00
7c80911f66
whitespace
2021-11-03 15:23:29 -04:00
37dfc9e141
simplify by not trying to use fetchcontent but do all steps manually
...
as it turns out, fetchcontent is calling external_project internally at
some point which to avoid is why this function was started in the first place
2021-11-03 14:43:18 -04:00
b95e12bb6c
add additional function argument where we can supply our own CMakeLists.txt file
2021-11-03 11:50:39 -04:00
6479116419
Merge branch 'develop' into multi-config-support
2021-11-02 16:39:12 -04:00
c5d6a310d8
Fixed cmake build script for QUIP in cases where MATH_LINKOPTS variable not set
2021-10-29 11:32:03 +02:00
153e77864d
Use LAMMPS_THIRDPARTY_URL variable for EIGEN3_URL
2021-10-27 16:45:08 -04:00
