78a20a988e
add support for plumed version 2.7.0 and make it default
2020-12-23 14:23:39 -05:00
79833f9b83
Merge pull request #2521 from rbberger/python_package
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Turn LAMMPS Python module into Python package
2020-12-17 17:06:03 -05:00
bcb89a1d90
Honor DESTDIR for packaging
2020-12-17 12:13:06 -05:00
f7e0bd45f3
Merge pull request #2520 from akohlmey/add-pgi-preset
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Add a CMake preset and some workarounds for using PGI (Nvidia) compilers with LAMMPS
2020-12-16 21:30:04 -05:00
47d18c9f90
Add KIM_EXTRA_UNITTESTS option
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Add KIM_EXTRA_UNITTESTS option which defaults to OFF
and can be enabled on request to add a corresponding
pre-processor define to do extra tests.
2020-12-15 15:48:49 -06:00
aca2eefce5
Transform LAMMPS Python module into package
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- Moves lammps.py into its own package
- Imports entire module in __init__.py
- Changes both how legacy and CMake build systems install
- Added traditional setup.py for Python-only installation
Note: the CMake install target runs setup.py build and install
in a way that produces files in CMAKE_BINARY_DIR/python instead
of python/build. This is to maintain out-of-source compilation
support.
2020-12-15 15:11:21 -05:00
65dc5c0351
work around PGI compiler issues
2020-12-15 14:32:18 -05:00
f7dc7e3f3f
add preset for use with PGI compilers (tested with version 20.11)
2020-12-15 14:31:40 -05:00
7f29c56c8f
update for kim-api-2.2.1
2020-12-14 00:03:59 -06:00
369197fd5e
Update KOKKOS.cmake
2020-11-30 10:55:40 -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
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
