Commit Graph

543 Commits

Author SHA1 Message Date
Axel Kohlmeyer 31009b0517
Merge branch 'master' into plugin-loader 2021-03-16 19:46:21 -04:00
Axel Kohlmeyer c39d494ae4
update "magic" for restart files to have more information 2021-03-15 22:58:19 -04:00
Axel Kohlmeyer 84b0da3054
add a "magic" file for use with the file(1) command to detect LAMMPS files 2021-03-14 05:44:28 -04:00
Axel Kohlmeyer 88760fa648
add plugin clear command to unload all loaded plugins 2021-03-13 12:40:04 -05:00
Axel Kohlmeyer 79d438e090
add support for plugin command to LAMMPS shell 2021-03-13 12:18:07 -05:00
Agilio Padua 25420fc030 Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
Axel Kohlmeyer e88d42f596
correct indentation 2021-01-17 16:06:08 -05:00
Richard Berger 14f691f0af
Add support for NVIDIA OpenCL in Ubuntu gpu containers 2020-11-30 14:46:24 -05:00
Axel Kohlmeyer b4f1779b62
reformat with clang-format 2020-10-23 21:04:45 -04:00
Axel Kohlmeyer 1382559dbe
adapt behavior of lammps-shell when passing filename without -in/-i flag
To better handle the case of file association. We now split the path into
a directory and basename string and change the current working directory
to that directory and read the file with the basename.
This simplifies the .desktop file and makes the LAMMPS shell behave as
expected on Windows, too.
2020-10-23 20:42:24 -04:00
Axel Kohlmeyer c51d2a286a
call resource compiler to include icon files into LAMMPS shell on Windows 2020-10-23 20:06:21 -04:00
Axel Kohlmeyer 3242cd5d31
mention desktop file and icons in README 2020-10-23 00:29:48 -04:00
Axel Kohlmeyer 8854e7b8de
Add desktop integration for LAMMPS shell 2020-10-23 00:20:15 -04:00
Axel Kohlmeyer c7a10050c2
Merge pull request #2439 from akohlmey/collected-small-changes
Collected small changes for the next release
2020-10-22 17:23:49 -04:00
Axel Kohlmeyer bc43865f45
need to look for Java Development components, not just JNI parts 2020-10-22 01:55:42 -04:00
Axel Kohlmeyer 0ab8803d19
Merge pull request #2437 from akohlmey/correct-urls
Make references to LAMMPS and other websites consistent
2020-10-21 20:34:14 -04:00
Axel Kohlmeyer 386bea76cb
describe more clearly what is provided 2020-10-21 17:25:42 -04:00
Axel Kohlmeyer adf74b3a22
use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
Axel Kohlmeyer 9cdf6f1e8b
more portability changes 2020-10-21 14:22:06 -04:00
Axel Kohlmeyer d7a0971578
make python support more portable, require python3 2020-10-21 14:14:46 -04:00
Axel Kohlmeyer 53028b24d6
improve portability for building SWIG Tcl wrappers 2020-10-21 14:06:25 -04:00
Axel Kohlmeyer ad50db1feb
use a different/cleaner approach to build an extended Tcl shell 2020-10-20 18:53:29 -04:00
Axel Kohlmeyer 0547425482
a few more small fixes 2020-10-20 18:30:32 -04:00
Axel Kohlmeyer 6259b277df
replace explicit clean-all target with added properties 2020-10-20 18:30:19 -04:00
Axel Kohlmeyer fe7628f954
add check that that extension module is compiled before running example scripts 2020-10-20 18:29:43 -04:00
Axel Kohlmeyer 7db669df40
add support to also build an extended tcl shell as opposed to dynamically loading the extension 2020-10-20 18:29:16 -04:00
Axel Kohlmeyer 515f1d9ead
make module search path commands consistent 2020-10-20 17:38:03 -04:00
Axel Kohlmeyer eeaff55df7
SWIG support documentation update 2020-10-20 16:37:30 -04:00
Axel Kohlmeyer bc1d325930
dmonstrate data access functions 2020-10-20 15:57:02 -04:00
Axel Kohlmeyer 3ad397dd60
implement some more data access functions and handle passing string buffers 2020-10-20 11:43:03 -04:00
Axel Kohlmeyer 6c826823fe
update SWIG support readme 2020-10-20 11:42:23 -04:00
Axel Kohlmeyer cd444eefe2
Merge branch 'master' into swig-wrappers 2020-10-19 21:58:23 -04:00
Axel Kohlmeyer 4795e01d54
Support being called from a graphical shell through filename association.
This adds a hack to the LAMMPS shell that hides the first argument from
the LAMMPS class, if it does not start with a '-' and instead tries to
open it as an input file.
2020-10-19 11:40:28 -04:00
Axel Kohlmeyer c891b9dca6
add simple main function for building a static Tcl shell executable 2020-10-19 01:01:27 -04:00
Axel Kohlmeyer 8c5ac3d49c
add README file to SWIG tool 2020-10-19 01:01:06 -04:00
Axel Kohlmeyer 5a70ee8a40
make names of custom data functions consistent 2020-10-19 01:00:50 -04:00
Axel Kohlmeyer 97767d0a3c
add some support functions to cast pointers and get values from pointers 2020-10-18 12:40:17 -04:00
Axel Kohlmeyer eab5d68a09
move SWIG support to tools/swig folder 2020-10-18 08:19:20 -04:00
Axel Kohlmeyer a04c8c8a3b
fix typo 2020-10-16 22:46:20 -04:00
Axel Kohlmeyer 4d31ae7279
Beter system folder detection, add URL to "help" commmand. avoid buffer overflow. 2020-10-16 15:17:57 -04:00
Axel Kohlmeyer f2ba37e35d
try swithing the current working directory when dropped into a Windows system folder. 2020-10-16 10:47:23 -04:00
Axel Kohlmeyer 865b159d16
update singularity definitions for readline 6/7 to have a pkg-config file 2020-10-14 15:06:57 -04:00
Axel Kohlmeyer 65eb4b5527
explicitly enable C++11 and use pkg-config to get readline flags 2020-10-14 14:33:12 -04:00
Axel Kohlmeyer 290763a844
add a test_mode where the isatty() check is bypassed and history not read
this is enabled when the LAMMPS_SHELL_TESTING environment variable is set
2020-10-13 17:09:11 -04:00
Axel Kohlmeyer 114dd48779
change behavior with respect to OpenMP versus the regular LAMMPS executable
since the shell is not meant to be run with MPI we can use all threads by default.
2020-10-13 17:08:23 -04:00
Axel Kohlmeyer ee98ecc7bb
document save_history command and a few more small tweaks 2020-10-11 15:47:38 -04:00
Axel Kohlmeyer 556d48f1dc
implement a "save_history" command into the LAMMPS shell 2020-10-11 15:30:56 -04:00
Axel Kohlmeyer f6683fefea
avoid segfault on the last word of the command history 2020-10-11 14:05:37 -04:00
Axel Kohlmeyer 9950f0d259
small LAMMPS shell updates
- implement a "source" command (same as "include")
- synchronize documentation in manual and README
- updates to readline customizations
2020-10-11 13:53:15 -04:00
Axel Kohlmeyer 362fe700a5
remove static libraries for cross-compiler. not used with .dll version. 2020-10-09 13:26:52 -04:00