Commit Graph

683 Commits

Author SHA1 Message Date
8d10f35acb display more info about the GPU package setting in the CMake config summary 2021-04-18 20:43:03 -04:00
2a81411029 use linux distro and version info to decide when to look for faster linkers 2021-04-14 20:01:46 -04:00
02612047c3 must set CMAKE_EXPORT_COMPILE_COMMANDS ON for using iwyu 2021-04-12 23:57:30 -04:00
0496626533 Merge branch 'master' into feature/user-pace 2021-04-07 16:26:26 -04:00
6a99f5b5c5 WIP:
-  no auto-download of user-pace src yet
-  lib/pace/*.cpp,*.h are provided explicitly yet.
- implement CMake integration in USER-PACE.cmake and in CMakeLists.txt
2021-04-06 17:24:54 +02:00
4e4a571dbd Add advanced LAMMPS_DOWNLOADS_URL cmake option 2021-04-05 14:31:13 -04:00
e613da98d6 Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
2021-04-02 15:08:44 -04:00
e85f945d8e fix typos 2021-03-26 23:12:29 -04:00
125ae33ccf convert plugin functionality into a package 2021-03-16 23:00:16 -04:00
347db1458d always link with libdl.so/.a or equivalent except on windows 2021-03-11 22:34:23 -05:00
897c337e1c apply suggested improvements and clarifications 2021-03-03 21:27:05 -05:00
26086e04a5 add option to set the runtime path on installation (vs. the default to remove it) 2021-03-03 17:59:05 -05:00
d5917652d4 remove output that is no longer necessary. settings are adapted automatically 2021-02-20 23:50:55 -05:00
61585b1eb6 make MPI STUBS a C++ library so its symbols won't collide when loading a real MPI library 2021-02-17 15:02:02 -05:00
e7bcd1ea43 must purge python/build folder so we don't inherit outdated files 2021-02-09 14:12:43 -05:00
3d46b084e8 must include LAMMPS_MACHINE suffix when installing python package 2021-02-08 11:08:00 -05:00
b8282a1152 search for python 3.9 as preferred version as well 2021-02-08 11:07:13 -05:00
11b2a1e1ac reorder package names to be in 2 groups (non-user, user) and each sorted alphabetically 2021-02-04 14:58:49 -05:00
fec52f6a48 make CMake script formatting more consistent 2020-12-29 10:40:39 -05:00
4c7f71bef3 Merge branch 'master' into mliappy3 2020-12-18 09:16:44 -05:00
79833f9b83 Merge pull request #2521 from rbberger/python_package
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
aca2eefce5 Transform LAMMPS Python module into package
- 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
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
7c1634e57f Squashed commit for MLIAPPY package
Includes CMAKE install, doc updates, example files.
2020-11-06 13:12:59 -07:00
1b358603c2 simplify 2020-10-20 18:52:53 -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
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
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
74e1d0f8cf move Tools compilation script code from CMakeLists.txt to separate Tools.cmake file 2020-10-09 11:15:00 -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
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
d84300a3ac do not fail when looking for gzip or ffmpeg executables when cross compiling to windows 2020-09-30 00:05:15 -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
f2bb835e23 cmake: install missing utils.h 2020-09-20 10:44:54 -06:00
705a9a0a8b cmake: do not install mpi.h without library 2020-09-19 15:12:36 -06:00
09b8b117fc cmake: consistent usage of find variable 2020-09-08 09:35:45 -06:00