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
...
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
...
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
...
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
...
- 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
...
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
...
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
...
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
8cec13a038
Add memory checker support in CMake
...
If ENABLE_TESTING is ON, you can now use memory checking tools to run the test
suite and check for memory leaks. By default CMake will try to find valgrind in
your path and set some default options.
To customize this behavior use the MEMORYCHECK_COMMAND and
MEMORYCHECK_COMMAND_OPTIONS variables. To run tests with the memory checker,
use the MemCheck action in ctest:
Run entire test suite:
ctest -T MemCheck
Run single test:
ctest -T MemCheck -R TESTNAME
Run test in verbose mode:
ctest -V -T MemCheck -R TESTNAME
2020-06-23 13:35:59 -04:00
723b9e6760
Try to keep compatibility with deprecated ROCm hcc compiler
2020-06-20 15:17:54 +03:00
2ea5d9956a
find_package is unnecessary for rocprim
2020-06-19 00:01:03 +03:00
d3baa414d2
Fix cmake for GPU ROCm 3.5 backend
2020-06-17 23:33:16 +03:00
2d52a09d08
patch the source code to the ScaFaCoS lib with a proper fix instead of working around it with compiler flags
2020-06-17 13:01:29 -04:00
34e46cc336
add workaround to USER-SCAFACOS package CMake script for linker error in FMM with GNU gcc 10.0
2020-06-17 07:41:00 -04:00
fd8cfed86d
fix typo
2020-06-15 17:33:50 -04:00
14c22a004a
Merge branch 'master' into use-clang-format-demo
...
# Conflicts:
# unittest/force-styles/pair_style.cpp
# unittest/utils/test_utils.cpp
2020-06-15 16:14:13 -04:00
