153e77864d
Use LAMMPS_THIRDPARTY_URL variable for EIGEN3_URL
2021-10-27 16:45:08 -04:00
c9da75ef85
Merge pull request #2968 from yury-lysogorskiy/feature/ml-pace-multispecies
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Add multi-species support to ML-PACE package
2021-10-27 16:04:15 -04:00
c0c45be357
bugfix Fedora CMake compilation
2021-10-27 17:19:18 +02:00
9895d8436a
update/clean downloading the ML-PACE/v.2021.10.25.tar.gz
2021-10-27 16:03:44 +02:00
c911cd52bb
whitespace
2021-10-27 08:24:07 -04:00
11ee3759df
use consistent formatting
2021-10-27 08:22:18 -04:00
3d9e4638a7
Don't use -restrict for icpx
2021-10-26 13:08:03 -04:00
4551bf4bc0
yaml-cpp-pace: bugfix in CMakeLists.txt
2021-10-26 10:19:11 +02:00
52d99700ec
Download and compile modified YAML-cpp 0.6.3 in namespace YAML_PACE
2021-10-25 17:34:08 +02:00
5e102e1bfe
ML-PACE.cmake: find_package(yaml-cpp 0.6.3 EXACT QUITE) first, otherwise dowload from github/yaml-cpp tag 0.6.3
2021-10-18 18:43:38 +02:00
59d79ce176
update googletest to version 1.11
2021-10-16 07:16:40 -04:00
cd526ad54c
try to find system libyaml-cpp v.0.6.3 library, otherwise use downloaded one
2021-10-14 15:16:48 +02:00
a1572ce9a5
link with -ldl except on Windows for dlopen/dlclose/dlsym support
2021-10-13 22:47:25 -04:00
77d830bf3a
update YAML-CPP library target name to yaml-cpp-pace
2021-10-12 18:15:31 +02:00
124f7760d8
Merge branch 'master' into feature/ml-pace-multispecies
2021-10-11 07:30:22 -04:00
1bbed2579b
try alternate approach to make MSVC++ happy linking STUBS
2021-10-09 20:32:39 -04:00
c3629b5f01
MS VC++ needs to have STUBS with PUBLIC linkage
2021-10-09 20:27:47 -04:00
6e8da80148
adjustments for intel compilers on windows
2021-10-08 13:57:09 -04:00
4b86dbd200
add cmake configuration file for visual studio
2021-10-07 17:11:33 -04:00
d5b3ea263b
awpmd requires blas, mgpt is not portable
2021-10-07 15:45:14 -04:00
5d5cc0ac55
preset with packages that build natively on windows with visual c++
2021-10-07 15:31:26 -04:00
50d997526c
a few more MSVC++ tweaks for improved compatibility and fewer warnings
2021-10-06 16:18:21 -04:00
7a1cf322e5
more tweaks for Visual C++ compilation and portability
2021-10-06 15:57:26 -04:00
6c7b42a190
small tweaks and fixes for compiling with MSVC++
2021-10-06 15:24:59 -04:00
45ea2b0431
update eigen3 to the latest release and move download to our own server
2021-10-02 22:52:03 -04:00
cf06620538
raise the C++ standard to be at least C++14 when Kokkos is enabled.
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This still allows to request a later standard for as long as it is C++14 or later
2021-10-01 15:16:40 -04:00
7fbd2138bd
recover cross-compilation with mingw64
2021-09-29 15:13:55 -04:00
32049c3484
adopt for new multispecies PACE implementation
2021-09-29 16:04:09 +02:00
aa59f7bd91
must have patch command available to compile ScaFaCoS
2021-09-29 07:50:53 -04:00
af7c613200
portability improvement
2021-09-29 07:50:13 -04:00
f7238de5d5
detect and error out if BLAS/LAPACK libraries variables are a list
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This will cause external project compilation to fail since the semi-colons
are converted to blanks, but one cannot properly escape the variables.
So far the only viable solution seems to be to convert the scripts from
using ExternalProject_add() to FetchContent and add_subdirectory()
2021-09-29 07:45:07 -04:00
23e173d44f
compiling ML-HDNNP with downloaded n2p2 lib requires the sed command
2021-09-29 07:27:49 -04:00
ea030c6dd8
Merge branch 'master' into collected-small-changes
2021-09-26 18:12:40 -04:00
0b2a4ec4e7
Building voro++ lib as part of LAMMPS requires the "patch" program
2021-09-24 17:07:59 -04:00
f5fa892ec8
Merge pull request #2916 from rbberger/rocm_updates
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Updates to support ROCm 4.3 in GPU package
2021-09-22 16:23:19 -04:00
407f032a55
Update CMake variable descriptions
2021-09-22 15:14:39 -04:00
d89e6f6765
do not downgrade C++ standard when adding the KOKKOS package
2021-09-21 23:52:49 -04:00
3cab58bffe
small correction
2021-09-18 21:34:30 -04:00
579f08bbbc
add support for compilation of OpenCL loader on FreeBSD
2021-09-18 19:04:08 -04:00
c0a910a6c5
expand mapping to handle "style_*.h" header files correctly.
2021-09-18 16:37:06 -04:00
2382d6c71d
handle changes in GAP repo
2021-09-18 16:36:18 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
3046c9ca93
include EXTRA-DUMP in "most"
2021-09-16 23:01:42 -04:00
b1ebaa298c
build "fat" cuda binaries only with known toolkits
2021-09-14 17:17:38 -04:00
37894d48c6
Revert "simplify building shared libs on windows"
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This reverts commit fa3429ab02
2021-09-13 07:24:00 -04:00
fa3429ab02
simplify building shared libs on windows
2021-09-12 22:09:18 -04:00
194a42b7a5
use more reasonable install prefix when compiling natively on Windows
2021-09-07 15:05:17 -04:00
68c842ca84
workaround for MSVC insanity
2021-09-07 00:59:51 -04:00
8db2d64f11
Updates to support ROCm 4.3 in GPU package
2021-08-31 17:56:01 -04:00
6b243845c0
update HIP preset for CMake
2021-08-31 15:11:37 -04:00
