e99e2ead68
update valgrind suppressions for newer GCC compilers
2021-06-13 18:28:42 -04:00
0ee6cf798c
include cythonize for building MLIAP with Python support
2021-06-06 18:25:47 -04:00
56b9de1d6b
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-06-04 11:38:31 -04:00
d74d7cfd5f
Merge pull request #2789 from rbberger/gpu_hip_fixes
...
More GPU fixes for HIP
2021-06-04 01:08:53 -04:00
067fd48b57
Merge remote-tracking branch 'github/master' into collected-small-changes
...
# Conflicts:
# python/lammps/__init__.py
# python/lammps/core.py
2021-06-04 00:28:32 -04:00
4a8b460201
update singularity container definition file for Fedora 34
2021-06-03 14:04:59 -04:00
7e05c6f8fd
Update ROCm container defintiion and add missing lib path
2021-06-02 14:40:37 -04:00
249a2a6783
Sync copies of pizza
2021-06-02 13:09:52 -04:00
185664824e
address LGTM issues
2021-05-31 12:01:05 -04:00
2e6a0112d3
update URLs in some more files
2021-05-24 16:19:37 -04:00
e7ed20d307
hack to allow processing individual files. handle a few more substitutions
2021-05-24 15:53:21 -04:00
63ecb77303
fix some more URLs
2021-05-24 15:38:27 -04:00
0b538b1922
add tool to fix LAMMPS homepage URLs
2021-05-23 19:49:32 -04:00
d9505a4527
cmake tweaks
2021-05-13 08:57:41 -04:00
228711f59b
add GPU device query functions to library interface and its wrappers
2021-05-11 14:59:49 -04:00
b36cf85c31
update Swig interface definition file with added APIs. reorder to match library.h.
2021-05-06 20:50:21 -04:00
13fb03cf2c
fix typo
2021-05-05 23:22:05 -04:00
4e737b5645
add offline folder to tools README file
2021-05-05 23:19:32 -04:00
fe2a6eb8e7
Add quotes in instructions
2021-04-30 18:47:00 -04:00
dfa9f15817
Use URL-encoded PIP_FIND_LINKS to support spaces in paths
2021-04-30 18:18:58 -04:00
ee0e48ff86
Update README.md
2021-04-30 18:00:29 -04:00
7994bb320f
Add more quotes
2021-04-30 17:52:32 -04:00
bebb5c3edf
Add quotes
2021-04-30 11:04:34 -04:00
3bf2dbd45c
Merge branch 'offline_builds' of github.com:rbberger/lammps into offline_builds
2021-04-29 14:00:40 -04:00
85f683c1a0
Fix typo
2021-04-29 14:00:23 -04:00
bfd2b301c6
Update README.md
2021-04-29 13:47:43 -04:00
3d36d42e72
Update README.md
2021-04-29 13:47:17 -04:00
53165fc7c9
Add PACELIB to offline scripts
2021-04-29 13:37:26 -04:00
8b410cf2bd
Add scripts to simplify offline builds of docs and CMake
2021-04-29 13:26:55 -04:00
4738337e47
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
00e4bdb2b7
Merge pull request #2692 from arghdos/master
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Porting to new default platform for AMD/HIP in ROCm 4.1
2021-04-06 14:39:30 -04:00
160f2cc630
Update ROCm container definitions
2021-04-02 16:11:23 -04:00
31009b0517
Merge branch 'master' into plugin-loader
2021-03-16 19:46:21 -04:00
c39d494ae4
update "magic" for restart files to have more information
2021-03-15 22:58:19 -04:00
84b0da3054
add a "magic" file for use with the file(1) command to detect LAMMPS files
2021-03-14 05:44:28 -04:00
88760fa648
add plugin clear command to unload all loaded plugins
2021-03-13 12:40:04 -05:00
79d438e090
add support for plugin command to LAMMPS shell
2021-03-13 12:18:07 -05:00
25420fc030
Start update of fep examples and doc
2021-01-22 21:39:09 +01:00
e88d42f596
correct indentation
2021-01-17 16:06:08 -05:00
14f691f0af
Add support for NVIDIA OpenCL in Ubuntu gpu containers
2020-11-30 14:46:24 -05:00
b4f1779b62
reformat with clang-format
2020-10-23 21:04:45 -04:00
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
c51d2a286a
call resource compiler to include icon files into LAMMPS shell on Windows
2020-10-23 20:06:21 -04:00
3242cd5d31
mention desktop file and icons in README
2020-10-23 00:29:48 -04:00
8854e7b8de
Add desktop integration for LAMMPS shell
2020-10-23 00:20:15 -04:00
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
bc43865f45
need to look for Java Development components, not just JNI parts
2020-10-22 01:55:42 -04:00
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
386bea76cb
describe more clearly what is provided
2020-10-21 17:25:42 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
