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
1d7fa39bc2
don't print a message for each generated style/package header file
2020-10-12 17:10:38 -04:00
74e1d0f8cf
move Tools compilation script code from CMakeLists.txt to separate Tools.cmake file
2020-10-09 11:15:00 -04:00
acb5fd2ebf
Simplify GenerateBinaryHeader utility
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The function implementation was incomplete for handling the case
of multiple files. It would generate wrong C code in case more than
one files were specified. Since we don't have this use case, it's
safe to only leave the single input file implementation.
Closes issue #2294
2020-09-20 18:24:43 -04:00
51957a6219
fix merge conflict
2020-09-18 19:49:36 -04:00
e1397b9a88
Merge branch 'master' into collected-small-changes
2020-09-18 16:11:47 -04:00
3275419872
Allow Colvars to include headers from the LAMMPS source directory
2020-09-17 14:37:26 -04:00
706a898163
Merge remote-tracking branch 'origin/master' into python_interface_guide
2020-09-17 12:08:12 -04:00
e839fe0d30
Merge branch 'master' into collected-small-changes
2020-09-16 23:53:29 -04:00
b96512171c
set -DCOLVARS_LAMMPS when compiling colvars library
2020-09-16 23:52:06 -04:00
4e304177a1
Merge pull request #2356 from giacomofiorin/colvars-update
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Update Colvars to version 2020-07-07
2020-09-16 23:37:02 -04:00
85d36ad6c4
Condense export of debug macro
2020-09-16 17:28:28 -04:00
cb253b2b1a
Add HTML report option for Python
2020-09-11 14:03:13 -04:00
377163d940
Add target to generate Python coverage XML
2020-09-11 11:36:22 -04:00
d43cb34c70
Support debugging flag for Colvars via CMake
2020-09-09 18:19:29 -04:00
8fb13f4fd1
cmake: make doc more consistent
2020-09-08 09:43:21 -06:00
09b8b117fc
cmake: consistent usage of find variable
2020-09-08 09:35:45 -06:00
90c13b1b14
update build files for plumed 2.6.1 release
2020-09-04 11:44:39 -04:00
60b98f6b91
Require libzstd>=1.4 for Zstd dump styles
2020-09-01 13:52:56 -04:00
31bd76efa5
Merge remote-tracking branch 'origin/master' into zstd_support
2020-09-01 12:58:41 -04:00
3db1a6d690
Use PkgConfig to find Zstd
2020-09-01 11:14:36 -04:00
0925fc822d
Make Zstd support optional
2020-08-31 18:21:58 -04:00
5623009962
arch 3.0 is dropped in CUDA 11
2020-08-30 13:12:42 +03:00
d00807ee9a
Merge pull request #2311 from stanmoore1/kk_update_3.2
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Update Kokkos library in LAMMPS to v3.2
2020-08-26 15:35:25 -04:00
d40b658644
cmake: update kokkos version/checksum
2020-08-26 10:05:14 -06:00
0d8454ac25
First version of Zstd dump atom
2020-08-25 23:27:42 -04:00
3a638440a4
Add missing PDF folder
2020-08-25 16:12:09 -04:00
df8fb26272
Refactor changes to documentation build
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- Added CMake variables for readability
- Moved Mathjax files to _static to avoid special copy logic
- Moved JPG/lammps-logo.png to _static to avoid special copy logic
- Removed dead CMake code
2020-08-25 13:41:31 -04:00
3f685c346f
add doxygen integration with conventional and cmake doc build
2020-08-24 17:58:37 -04:00
3c7d59401c
Merge pull request #2107 from junghans/offline_gtest
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cmake: allow to overwrite GTest URL for offline machines
2020-08-21 10:57:08 -04:00
8e74d5ad02
Eigen3 is now hosted at GitLab. The bitbucket repo is gone. Update URLs and MD5s
2020-08-18 21:29:43 -04:00
265b7cf11c
use new dependency resolver in pip for the documentation build virtual environment
2020-08-11 14:11:44 -04:00
d09d40af9d
make check for alternate linke more restrictive: also check for linker binary.
2020-08-03 11:36:02 -04:00
1f1767f5af
convert linker choice to (advanced) choice. only for Clang and GNU at the moment
2020-07-29 17:36:34 -04:00
4d9781f9b6
fix typo an reorder
2020-07-29 11:10:14 -04:00
1677b76b6c
try using faster alternatives to GNU ld when building (many) test executables
2020-07-28 20:56:32 -04:00
05c0b5d5ce
Update the deprecated property and fix the empty value on macOS
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The `IMPORTED_LINK_INTERFACE_LIBRARIES` is deprecated and is
updated to `INTERFACE_LINK_LIBRARIES` instead.
On macOS `CMAKE_THREAD_LIBS_INIT` is empty since empty the thread
functions are provided by the system libraries. To avoid getting
`set_target_properties called with incorrect number of arguments` error
message, we put it inside double quotes.
2020-07-18 15:12:31 -05:00
aa82608142
print warning for unknown/unsupported CUDA versions
2020-07-15 11:28:33 -04:00
a082895b90
update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11
2020-07-15 11:08:06 -04:00
66271448ae
Merge pull request #2167 from Vsevak/master
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Update GPU CMake and Makefile scripts for ROCm v3.5
2020-06-26 13:43:32 -04:00
cd6de39319
whitespace
2020-06-25 15:35:25 -04:00
3525d1f104
simplify suppression handling by creating a custom local file
2020-06-24 13:35:36 -04:00
5ea9b1b38d
simplify detection and application of valgrind suppressions
2020-06-24 09:33:19 -04:00
