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369 Commits

Author SHA1 Message Date
Axel Kohlmeyer fd4262805d for enabling MPIIO we also need to set -DLMP_MPIIO 2018-11-16 15:48:35 -05:00
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
Richard Berger 09ef2bc829
Merge pull request #1093 from rbberger/cmake-fixes 
Collection of CMake fixes
 2018-09-04 21:51:47 -04:00
Richard Berger ff2e13e063 Merge branch 'master' into ScaFaCoS 2018-09-04 21:35:46 -04:00
Richard Berger 8608b4f93c Remove extra libm in LAMMPS_LINK_LIBS 2018-09-04 21:31:08 -04:00
Christoph Junghans db7c2549d0
cmake: inject with-pic into Scafacos 2018-09-04 17:05:59 -06:00
Christoph Junghans 037420b611 cmake: only add tests if exe is build 2018-09-04 14:59:30 -06:00
Richard Berger af4b2b9354 Add LAMMPS_TESTING_SOURCE_DIR and LAMMPS_TESTING_GIT_TAG options 2018-09-04 15:37:32 -04:00
Richard Berger 842136afc8 Add core tests to CMake 2018-09-04 12:12:49 -04:00
Richard Berger f18f12d1a6 Fix NETCDF include and libs in CMake 2018-09-04 09:15:00 -04:00
Richard Berger c9cf3fba8f
Merge pull request #1013 from lammps/cslib 
new MESSAGE package for client/server/coupling
 2018-09-04 08:29:15 -04:00
Steve Plimpton a299a7fa28 Merge branch 'cslib' of github.com:lammps/lammps into cslib 2018-08-31 16:37:19 -06:00
Steve Plimpton 78301e5e93 Merge branch 'master' into cslib 2018-08-31 16:30:28 -06:00
Christoph Junghans 41f0951d0c liblammps.pc: add lammps version 2018-08-31 10:09:03 -06:00
Richard Berger b0f5400d52 Add utility function to determine LAMMPS version in CMake 2018-08-29 16:12:16 -04:00
Christoph Junghans db180209b3 FindLAMMPS.cmake: add LAMMPS_API_DEFINES 2018-08-29 13:20:25 -06:00
Christoph Junghans 47b8a116a6 liblammps.pc: fixed a typo 2018-08-29 13:20:04 -06:00
Christoph Junghans 499ffa198d cmake: change too generic LIB_SUFFIX to LAMMPS_LIB_SUFFIX 2018-08-29 11:31:28 -06:00