bec82e4045
Added new checksum value
2018-06-25 14:23:44 -06:00
06b3209ad8
Commit JT 062518
2018-06-25 09:56:39 -06:00
2fd45050cd
Merge branch 'newsystem' of https://github.com/cnegre/lammps into newsystem
2018-06-25 08:44:57 -06:00
8ffa96c9e9
Added fix latte
2018-06-25 08:43:00 -06:00
6a9251245c
update MD5 sum for latte-v1.2.0.tar.gz src archive
2018-06-25 09:43:37 -04:00
cb2cf5b773
cmake: fixed comment
2018-06-25 06:31:09 -06:00
c4d0994d5e
cmake: fixed a typo
2018-06-25 06:29:24 -06:00
e2c03f0596
Simplify build system conflict checks
...
- removes redundant code for conflict checks
- updates and expands original check to report fatal error instead of ignoring
files
- removes obsolete DetectAndRemovePackageHeader and RemovePackageHeader utility
functions which are no longer needed
- adds utility function DetectBuildSystemConflict, which loops over files and
reports an error if they exist in the lammps src directory.
- updates definition of LAMMPS_SOURCE_DIR, LAMMPS_LIB_SOURCE_DIR and
LAMMPS_LIB_BINARY_DIR to be absolute paths. This improves instructions in
error messages
2018-06-25 03:09:42 -04:00
9108306c11
Shorter entropy/atom example
2018-06-24 00:36:09 +02:00
86519ce213
Rename compute to entropy/atom
2018-06-24 00:25:07 +02:00
0b1d4a1696
liblammps.pc: fix lib suffix
2018-06-22 17:06:39 -06:00
264e4fd3b1
cmake: fix for <cmake-3.4
2018-06-22 17:05:55 -06:00
d237625d2a
patch 22Jun18
2018-06-22 14:08:09 -06:00
ce0f3daad6
cmake: don't include quiet packages in summary
2018-06-22 11:43:52 -06:00
cb7b23e220
cmake: add BUILD_EXE option
2018-06-22 11:11:09 -06:00
3f17d33fbe
cmake: add BUILD_LIB option
2018-06-22 11:06:12 -06:00
510834cb7b
Merge pull request #960 from lammps/latte-tweak
...
made latte.in compatible with v1.1.1 and updated log files
2018-06-22 10:18:19 -06:00
2165a2aa9b
Changed version on cmakelist and install.py
2018-06-22 10:04:20 -06:00
ac41cc2c9a
cmake: add GPU_PREC status output
2018-06-22 09:02:10 -06:00
f5f73b0172
Merge pull request #958 from ndtrung81/gpu-updates
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Bug fixes and updates to the GPU package
2018-06-22 08:52:20 -06:00
35f5a685f6
small change to preempt a possible merge conflict
2018-06-22 08:19:49 -04:00
62984c1de0
small tweaks: improve messages and comments
2018-06-22 08:02:17 -04:00
04d040b863
update make purge list and fix checking for styles and installed package files in cmake
2018-06-22 07:57:03 -04:00
92f0f19df6
make info config output of compile time defines consistent with lmp_<machine> -h
2018-06-22 07:26:33 -04:00
dcdc7877a4
make compile time output more consistent and complete
2018-06-22 07:05:09 -04:00
2f11f2d7b2
query compile time settings in Info class
2018-06-22 06:59:09 -04:00
e25b6c81ee
use a more conventional way to generate and include the lmpinstalledpkgs.h file
2018-06-22 06:58:31 -04:00
80cca7c4c1
make has_XXX_support functions static, so they can be called without having to create an instance of Info, which requires a fully instantiation of the LAMMPS and Pointers classes
2018-06-22 06:57:05 -04:00
2fe0eabc09
Intel Package: Bug fix when using LRT with minimize. Bug fix for virial calculation when using GNU compilers. Most of framework for adding hybrid support is now in place.
2018-06-22 01:52:55 -07:00
7da8e69b45
add code to create lmpinstalledpkgs.h file with cmake
2018-06-21 19:08:09 -04:00
e8e1349da4
make the list of installed packages a static const class member of the LAMMPS class
...
through this change, the list of packages becomes accessible for the
library interface and the python wrapper, e.g. to check whether a
prerequisite packages is installed (simpler/faster for quick highlevel
check than having to try instantiating a specific style).
2018-06-21 19:07:16 -04:00
dc132c8bf1
Added newsystem flag to be passed to latte
2018-06-21 15:40:20 -06:00
f0a2c57401
Merge pull request #959 from rbberger/cmake_documentation
...
Expand cmake documentation
2018-06-21 13:57:48 -06:00
4ca3d30db7
Add BUILD_MPI and BUILD_OMP in cmake docs
2018-06-21 14:45:00 -04:00
cbfb751e92
made latte.in compatible with v1.1.1 and updated log files
2018-06-21 11:10:29 -06:00
65c895721f
Update README.md to reflect change ENABLE_* to PKG_*
2018-06-21 12:32:46 -04:00
bfacfc46be
Add TOC to README.md
2018-06-21 12:32:46 -04:00
919d95d375
Fill in package descriptions
2018-06-21 12:32:46 -04:00
258185690d
Fixup GitHub markup version
2018-06-21 12:32:46 -04:00
cea0227f14
Expand CMake build documentation
2018-06-21 12:32:32 -04:00
3e58ebea4f
Merge pull request #957 from akohlmey/collected_small_fixes
...
Collected small changes and bugfixes for next patch release
2018-06-21 08:49:18 -06:00
7a22612bea
Merge pull request #956 from cnegre/latte_examples
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Added boxrel example and simplified latte.in
2018-06-21 08:48:56 -06:00
9805b5d34a
Merge pull request #955 from junghans/fortran_linking
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cmake: implicit fortran libs need to linked last
2018-06-21 08:48:26 -06:00
9f3cb83fb3
use a list instead of a string to store the names of installed packages
2018-06-20 17:57:17 -04:00
9f3fae1c47
record 3d-FFT array packaging algorithm
2018-06-20 17:23:37 -04:00
0e603493af
fix bug that made compilation fail with no packages installed
2018-06-20 17:23:37 -04:00
7f0c88c74b
refactor the gathering of compile time settings after discussion with @sjplimp
...
- remove feature to record the compilation time and date
- remove 'echo -n' based "progress bar"
- update output format for "lmp_machine -h" to be consistent with help output
- move generation of lmpinstalledpkgs.h to be a separate target depending on
all sources and headers in src folder. this way it is only regenerated
when files are modified or packages installed
2018-06-20 17:23:37 -04:00
1f770a6a8f
print information about serial/parallel and MPI version for known libraries
2018-06-20 17:23:37 -04:00
596acaf4d2
give visual feedback on when the compile starts since gathering the package information can take time
2018-06-20 17:23:37 -04:00
472a1a501d
add lmpinstalledpks.h to the list of purgable files
2018-06-20 17:23:37 -04:00
