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385 Commits

Author SHA1 Message Date
Christoph Junghans a30e1b2670 cmake: USER-PLUMED does not LAPACK anymore 2018-12-07 06:10:29 -07:00
Axel Kohlmeyer ebacd5ca6b anti-nitpick hack 2018-11-27 14:36:59 -05:00
Axel Kohlmeyer 79fafcb12c passing build type specific compiler flags to building the voro++ library 2018-11-27 09:57:21 -05:00
Axel Kohlmeyer dbc798e286 correct passing flags to local voro++ build 2018-11-27 05:47:19 -05:00
Axel Kohlmeyer d43f229162 do not warn about deprecated GPU target archs 2018-11-26 22:48:23 -05:00
Axel Kohlmeyer 00b138f542 verbose CUDA assembly processing is more distracting than helping 2018-11-26 22:45:54 -05:00
Axel Kohlmeyer 1fdfc89d25 make $HOME/.local the default LAMMPS installation destination 2018-11-26 22:27:21 -05:00
Axel Kohlmeyer d6ea31e143 implement changes suggested by @junghans for GPU/CUDA compilation 2018-11-26 22:06:10 -05:00
Axel Kohlmeyer 91b96fa0c9 build MESSAGE package client/server library always as static library 2018-11-26 21:37:23 -05:00
Axel Kohlmeyer c980dd0a56 remove stray endif() 2018-11-26 20:56:13 -05:00
Axel Kohlmeyer 3ad74985eb replace more inline expansions with explicit code. some general overhaul and better propagation of consistent compiler settings and flags for library builds 2018-11-26 20:53:23 -05:00
Axel Kohlmeyer aa0b9684dc remove inline expansion from two more cases (of external library builds) 2018-11-26 20:19:28 -05:00
Axel Kohlmeyer b3975f4b14 reword a few options for clarity 2018-11-26 17:03:32 -05:00
Axel Kohlmeyer c61da28f0a allow building "fat" GPU binaries in CUDA mode, resulting in executables compatible with all GPUs supported by the used CUDA toolkit 2018-11-26 17:03:09 -05:00
Axel Kohlmeyer 421f97e444
Merge pull request #1214 from akohlmey/collected-small-changes 
Collected small changes and many spelling fixes for next release candidate
 2018-11-20 10:34:58 -05:00
Axel Kohlmeyer fd4262805d for enabling MPIIO we also need to set -DLMP_MPIIO 2018-11-16 15:48:35 -05:00
Pierre de Buyl 2c979e878f fix cmake build for USER-H5MD 
The hdf5 includes were needed as well for building the dump.
 2018-11-16 15:18:58 +01:00
Axel Kohlmeyer e4dee3de17
Merge pull request #1206 from akohlmey/collected-small-changes 
Collected small changes for next release
 2018-11-15 17:29:26 -05:00
Axel Kohlmeyer eae9d27f6d OpenMP support from the compiler is not a requirement for USER-OMP. Without OpenMP, it is like the OPT package but for many more styles, so it is still useful and should be supported. 2018-11-15 16:50:56 -05:00
Axel Kohlmeyer 090778c42b
Merge pull request #1204 from lammps/doc-plumed 
Linkage mode improvements and documentation updates for USER-PLUMED package
 2018-11-15 13:48:58 -05:00
Axel Kohlmeyer db935dba5e
Merge pull request #1201 from junghans/cmake_doc 
cmake: update internal doc about how cmake finds executables
 2018-11-15 13:48:17 -05:00
Christoph Junghans d5f222464b
Update README.md 2018-11-15 09:48:46 -07:00
Axel Kohlmeyer a557644939 support all three plumed linkage modes with CMake as well. For downloaded and previously installed plumed lib 2018-11-14 22:13:18 -05:00
Christoph Junghans 86d1304176 cmake: update doc aobut executables 2018-11-10 18:58:53 -07:00
Axel Kohlmeyer 62b1159673 update presets for USER-PLUMED package. fix typo. 2018-11-09 01:08:57 -05:00
Axel Kohlmeyer e0955f6434 Merge branch 'master' into sdpd to resolve merge conflicts 
# Conflicts:
#	cmake/CMakeLists.txt
#	src/Makefile
 2018-11-08 16:32:02 -05:00
Axel Kohlmeyer a6e9b99295
Merge pull request #1180 from gtribello/master 
Add natively supported PLUMED interface to LAMMPS
 2018-11-08 16:16:50 -05:00
Axel Kohlmeyer 80ee08482c
Merge pull request #1182 from junghans/pkgconfig_doc 
liblammps.pc: add some more documentation
 2018-11-08 16:10:15 -05:00
Christoph Junghans ce7f76de1d cmake: switch plumed to full static mode 2018-11-05 07:39:23 -07:00
Christoph Junghans 58d2f0cc57 cmake: fix linking again plumed 2018-11-05 05:55:31 -07:00
Axel Kohlmeyer 7514838700 put LAMMPS sources folder first in list of include directories 2018-10-31 04:18:08 -04:00
Morteza Jalalvand e70a9b0f26 updated CMakeLists to handle the optional dependency of USER-SDPD 2018-10-30 19:35:22 +03:30
Morteza Jalalvand ba6f6f73f1 first commit: added SDPD 2018-10-30 17:40:00 +03:30
Christoph Junghans 1bae30c295 liblammps.pc: add some more documentation 2018-10-29 06:57:46 -06:00
Christoph Junghans 044507640f include Plumed.h with full path 2018-10-29 06:52:19 -06:00
Christoph Junghans bcc7a4c32f cmake: add PLUMED include dir 2018-10-29 06:36:47 -06:00
Christoph Junghans 3cc9384488 cmake: add support USER-PLUMED 2018-10-28 16:23:29 -06:00
Richard Berger 27a46cec8c Add src directory to PreventInSourceBuilds checks 2018-10-19 17:25:18 -04:00
Axel Kohlmeyer f542590090
Merge pull request #1136 from junghans/cmake_out_source 
cmake: prevent in-source build
 2018-10-19 17:02:05 -04:00
Christoph Junghans 2da999d864 cmake: prevent in-source build 2018-09-27 12:18:43 -06:00
Axel Kohlmeyer 93e56c113a add USER-PTM to build system 2018-09-25 09:18:11 -04:00
Richard Berger a903e64947
Merge pull request #1114 from junghans/cmake_eigen3 
cmake: fix Eigen3 detection
 2018-09-10 10:45:20 -04:00
Richard Berger 46b87518b8 cmake: use NO_MODULE for Eigen3 2018-09-10 00:35:55 -04:00
Axel Kohlmeyer 3b073de357 make it less likely to have people get confused by Eigen3_DIR 2018-09-09 01:21:37 -04:00
Christoph Junghans 861a7acdf0 cmake: fix globbing in some more places 2018-09-07 06:40:06 -06:00
Christoph Junghans 8f8aee65d2 cmake: fix globbing of emacs files 
Done by: sed -i '/GLOB/s@/\*\.@/[^.]*.@g' CMakeLists.txt
 2018-09-06 14:52:49 -06:00
Christoph Junghans d7b00f86f8 cmake: fix Eigen3 detection 
For some reason FindEigen3.cmake defines all cap. variables, i.e.
Eigen3_FOUND -> EIGEN3_FOUND
 2018-09-06 14:18:31 -06:00
Richard Berger 0b951840f2
Merge pull request #1103 from rbberger/cmake-fix-user-omp 
cmake: add missing fix_omp.h and fix_omp.cpp to compilation
 2018-09-05 21:27:24 -04:00
Richard Berger ad498811b1 cmake: add missing fix_omp.h and fix_omp.cpp to compilation 2018-09-05 16:04:35 -04:00
Richard Berger a28990ed8d
Merge pull request #989 from rhalver/ScaFaCoS 
[Feature Contribution] Scafacos
 2018-09-05 11:24:13 -04:00