a73fc87f90
add AMOEBA package to CMake build system
2022-04-19 04:35:25 -04:00
21f24ef572
Merge pull request #3218 from lammps/mdi-new-functions
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MDI new functions
2022-04-14 20:48:51 -04:00
64b1c45a49
update MDI library and checksum
2022-04-14 17:27:20 -04:00
5bd86a05b2
Merge pull request #2906 from jtclemm/BPM
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Adding package for bonded particle models
2022-04-14 15:43:14 -04:00
f3363070e7
remove support for CUDA toolkits before version 8 and GPUs older than Kepler
2022-04-12 15:48:16 -04:00
49aebf64b9
include BPM package in multiple presets
2022-04-11 12:41:28 -04:00
36723853c9
Merge branch 'develop' into BPM
2022-04-11 12:18:34 -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+
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Change-Id: I32ad9be86d6a0467ccae555a1d0272813c905e97
2022-04-07 17:48:03 -04:00
288c154290
Merge pull request #3186 from Ruyk/kokkos-sycl-cmake
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Add kokkos-sycl.cmake preset
2022-04-04 16:12:24 -04:00
ff107315cb
need to always extract the path to MPI include directory
2022-03-26 23:20:57 -04:00
29ada4e263
Update description header
2022-03-25 11:19:59 +00:00
2ae448d9d0
Add kokkos-sycl.cmake & relevant compiler flags
2022-03-25 11:05:09 +00:00
5663a9c38b
print current LAMMPS version number in configuration summary
2022-03-24 17:07:45 -04:00
a4018dbb4b
update MDI library to version 1.3.0
2022-03-23 17:18:19 -04:00
92a968a8a9
Resolving merge conflicts
2022-03-23 14:28:27 -06:00
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
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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
bd4d1b52f9
Merge branch 'develop' into collected-small-changes
2022-02-27 19:33:04 -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
e2092a5788
first attempt at supporting multi-config builders
2022-02-25 00:52:13 -05:00
4b7731e831
update install.py script to build a wheel and install that
2022-02-25 00:24:16 -05:00
0988d957f5
Update preset configurations to include release and debug versions of MSVC and Clang only.
2022-02-21 19:09:59 -05:00
642b1e25f6
Updating to develop
2022-02-18 13:58:38 -07:00
f3c055e637
Undo change that forces BUILD_SHARED_LIBS=off
2022-02-15 14:53:18 -05:00
702a2dd3f6
Merge pull request #3130 from akohlmey/iwyu-update
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Update list of include statements based on the IWYU utility
2022-02-14 17:25:32 -05:00
5f47ff770c
Merge pull request #3127 from akohlmey/gpu-opencl-updates
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Update compiling OpenCL loader lib
2022-02-14 16:10:53 -05:00
1307371942
update/correct iwyu additional mappings
2022-02-13 18:20:12 -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
e4b5245f4d
Merge pull request #3116 from akohlmey/build-kokkos-staticlib
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Build KOKKOS package updates for Python module and Windows compatibility
2022-02-07 16:36:46 -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
f550460ecd
Update CMakeSettings.json
2022-02-03 15:44:55 -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
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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
f8a4006da7
must promote imported target to global scope in order to be able to alias it
2022-01-30 08:32:21 -05:00
dc0e013297
create alias target MPI::ANY_CXX to be used instead of MPI::MPI_CXX
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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
a8632d5cb6
always have the lib prefix on the LAMMPS library (windows may drop it on the .dll file)
2022-01-30 05:11:32 -05:00
75d0a5098f
use -Og for Debug config for better warnings and debug experience
2022-01-29 17:06:30 -05:00
bd4814a51e
don't cache OUTPUT_DIRECTORY variable settings but set them every time
2022-01-29 16:37:40 -05:00
