7fbd2138bd
recover cross-compilation with mingw64
2021-09-29 15:13:55 -04:00
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
...
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
...
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"
...
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
84896fc7d4
add building micelle2d.x
2021-08-26 06:36:27 -04:00
c7357d5731
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-08-26 05:30:50 -04:00
fe4ec9d1ea
select Fortran 2003 as standard for compiling bundled Fortran code
2021-08-25 23:36:12 -04:00
4846d8283e
convert chain.f to fortran 90+ style free format file chain.f90
...
this is to maintain compatibility with some newer fortran compilers
that do not support legacy style fortran by default anymore.
2021-08-25 18:38:08 -04:00
25d9d5dfff
Merge pull request #2895 from rbberger/python_coverage_fix
...
Use .coveragerc to configure Python coverage reporting
2021-08-24 14:07:23 -04:00
a26da031aa
Use .coveragerc to configure Python coverage reporting
2021-08-24 11:27:30 -04:00
d44edeb32e
make clang-format custom targets in CMake similar to the ones in GNU make
2021-08-23 18:36:44 -04:00
30821b37e5
replace tabs
2021-08-22 20:43:27 -04:00
62564b0a5c
cmake: only use LMP_KOKKOS define in build interface
2021-08-17 15:52:09 -06:00
d321202908
Add change from @junghans
2021-08-17 10:27:50 -06:00
9fa255b3ff
Fix issue when building Kokkos with CMake
2021-08-17 10:09:39 -06:00
f23b04f9b6
update Eigen3 to support the latest stable release 3.3.9
2021-08-07 10:09:06 -04:00
88604328f5
workaround for PGI compilers
2021-08-07 10:09:06 -04:00
e29bd3d157
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
2021-08-06 14:07:43 -04:00
fe34fe26b2
add a hard dependency on EXTRA-PAIR to the DIELECTRIC package
2021-07-27 18:21:08 -04:00
2d488bab6b
Merge branch 'master' into collected-small-changes
2021-07-27 11:15:00 -04:00
f39c5178d8
update plumed to version 2.7.2 and drop workaround for 2.7.1
2021-07-27 09:56:52 -04:00
16fae72670
small tweak for MinGW-64 compilation on Fedora 34
2021-07-27 08:44:59 -04:00
1ebd60e35e
update and add explanation
2021-07-25 10:56:38 -04:00
57270c5339
set flag to tell CMake to not use/link the MPI C++ interface in the correct place
2021-07-24 13:46:13 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
d2684a2370
Merge branch 'master' into package-reorganization2
2021-07-23 07:41:10 -04:00
f8f4af471f
general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
2021-07-21 21:52:25 -04:00
d16f751413
Merge branch 'master' into package-reorganization2
2021-07-21 10:23:04 -04:00
600b0d34ca
disable install command for build libquip.a (not needed)
2021-07-20 19:31:04 -04:00
d8ca3e4b16
add support for automatically downloading and building libquip
2021-07-20 16:00:42 -04:00
52156ccb35
Merge branch 'master' into package-reorganization2
2021-07-19 11:07:42 -04:00
