3f5a896aab
update build system to make it auto-adapt to include python support or not into MLIAP
2020-12-07 17:35:10 -05:00
3c34bdfded
Updated the build files
2020-12-03 19:04:53 -07:00
664ed0f850
Merge remote-tracking branch 'origin/mliappy2' into mliappy3
2020-12-03 17:37:26 -07:00
369197fd5e
Update KOKKOS.cmake
2020-11-30 10:55:40 -07:00
35f2c9bdf2
Several improvements to capabilities and build.
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- cmake fixed, no longer needs numpy headers.
- models can be loaded from an external interepreter.
2020-11-26 12:40:28 -07:00
c247a4f709
More adjustments
2020-11-24 21:06:27 -06:00
8faee10da5
Hack to work with preinstalled kim-api-2.1.3
2020-11-24 20:37:17 -06:00
c3e012c70c
KIM.cmake changes to support 2.1.3 kim-api too
2020-11-23 16:53:25 -06:00
0f3b0eabd3
Adjust KIM.cmake to continue to work with kim-api < 2.2.0
2020-11-23 16:42:58 -06:00
7ec7430c6e
Update KIM.cmake for kim-api-2.2.0
2020-11-19 13:29:16 -06:00
552dc7fba9
whitespace
2020-11-10 18:05:06 -05:00
2f3cbfed13
add CMake code to download and compile libyaml if not found locally
2020-11-10 17:58:26 -05:00
7c1634e57f
Squashed commit for MLIAPPY package
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Includes CMAKE install, doc updates, example files.
2020-11-06 13:12:59 -07:00
9a3f935c9b
do not include polyfill.js anymore
2020-10-27 20:17:59 -04:00
6af2da7603
Correct path for icons and .desktop file
2020-10-26 23:56:55 -04:00
4475a095ce
Merge pull request #2453 from rbberger/cmake_gitversion_fix
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Enable gathering of git info with git v1.8.3.1
2020-10-26 18:45:52 -04:00
f7d9cf813f
Enable gathering of git info with git v1.8.3.1
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The -C flag wasn't supported back then. The workaround is to change the
working directory via CMake. This issue was detected while building on
CentOS 7.
2020-10-26 17:26:46 -04:00
c51d2a286a
call resource compiler to include icon files into LAMMPS shell on Windows
2020-10-23 20:06:21 -04:00
8854e7b8de
Add desktop integration for LAMMPS shell
2020-10-23 00:20:15 -04:00
1b358603c2
simplify
2020-10-20 18:52:53 -04:00
7297ed3115
apply stack-protector fix required by newer versions of MinGW, e.g. on Fedora 33
2020-10-19 21:59:27 -04:00
eab5d68a09
move SWIG support to tools/swig folder
2020-10-18 08:19:20 -04:00
fcbbc51a33
add minimally tested swig wrapper for Lua, Perl5, Python, and Tcl
2020-10-17 23:51:36 -04:00
234f27514f
avoid CMake failure when reporting packages without any of them enabled
2020-10-14 14:59:24 -04:00
00e1edfae9
add a preset for selecting gcc compilers (for cases where they are not the default)
2020-10-14 04:51:34 -04:00
338b05d9dd
set only build type specific compiler flags, so using -DCMAKE_CXX_FLAGS will work as expected
2020-10-13 12:00:03 -04:00
60a296fea8
small tweaks
2020-10-12 23:51:00 -04:00
9bdae2b5c0
move installed packages summary to a different location further down in the output
2020-10-12 18:04:19 -04:00
1d7fa39bc2
don't print a message for each generated style/package header file
2020-10-12 17:10:38 -04:00
a97e632bb0
make enabled packages report more compact
2020-10-12 17:10:04 -04:00
ec4eab5061
CMake change requested by @junghans
2020-10-12 15:21:08 -04:00
97964604c6
no point in trying a static link of executables
2020-10-09 13:29:13 -04:00
74e1d0f8cf
move Tools compilation script code from CMakeLists.txt to separate Tools.cmake file
2020-10-09 11:15:00 -04:00
eb3992a69a
enable static linkage for executables when cross-compiling with MinGW
2020-10-09 02:26:46 -04:00
4f4bc427ae
implement LAMMPS_LIB_NO_MPI to LAMMPS_LIB_MPI change
2020-10-08 21:50:15 -04:00
fb1dab6098
Merge branch 'master' into collected-small-fixes
2020-10-06 18:00:33 -04:00
bd206dca10
simplify based on suggestions from @junghans
2020-10-05 11:44:19 -04:00
b6d333535c
correct variable name
2020-10-05 11:43:43 -04:00
3e74e03bbb
update all_on/all_off presets to really include all packages
2020-10-04 16:46:29 -04:00
ffcd905bf1
complete LAMMPS shell docs interation. Warn if exceptions are missing but don't fail
2020-10-04 14:03:34 -04:00
7f3db6f8e3
improve wording
2020-10-03 22:04:54 -04:00
4e8feff52c
add support for building the LAMMPS shell in CMake
2020-10-03 22:01:57 -04:00
a9b27caf17
Merge branch 'master' into progguide-axel
2020-09-30 19:57:20 -04:00
d84300a3ac
do not fail when looking for gzip or ffmpeg executables when cross compiling to windows
2020-09-30 00:05:15 -04:00
fdbdd26585
include intel fortran compiler into intel cmake preset
2020-09-26 22:30:21 -04:00
28812b1ea7
Merge pull request #2381 from akohlmey/collected-small-changes
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Collected small changes
2020-09-24 16:17:28 -04:00
cc8b042abf
cmake: export LAMMPS_LIB_NO_MPI for serial version
2020-09-21 12:54:56 -06:00
fbcb888ec0
cmake: do not install install mpi.h
2020-09-21 12:41:34 -06:00
51b900b043
Merge remote-tracking branch 'origin/master' into cmake_install_fix
2020-09-21 12:39:51 -06:00
acb5fd2ebf
Simplify GenerateBinaryHeader utility
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The function implementation was incomplete for handling the case
of multiple files. It would generate wrong C code in case more than
one files were specified. Since we don't have this use case, it's
safe to only leave the single input file implementation.
Closes issue #2294
2020-09-20 18:24:43 -04:00
