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892 Commits

Author SHA1 Message Date
Axel Kohlmeyer 07d31f4643
remove LAMMPS_LIB_SUFFIX variable and use LAMMPS_MACHINE instead. 
we are now always building the executable and the library and thus they should have a consistent suffix or none.
 2020-04-09 10:42:11 -04:00
Axel Kohlmeyer 69a38115ce
Merge remote-tracking branch 'github/junghans-CMake-typo' into simplify_build_choices 2020-04-09 09:44:12 -04:00
Christoph Junghans 8dfc6cdef4 Testing.cmake: some clean up 2020-04-09 07:40:17 -06:00
Christoph Junghans d6aede2549 LAMMPSConfig.cmake: fixed for disabled PKG_SPACE 2020-04-09 07:27:27 -06:00
Axel Kohlmeyer 32eeffe84d
Merge remote-tracking branch 'github/junghans-CMake-typo' into simplify_build_choices 2020-04-09 08:57:42 -04:00
Christoph Junghans ed0971d663
cmake: fix a typo 2020-04-09 05:44:57 -06:00
Michael Lamparski 0fa6472c51
Merge branch 'master' into omp4-compat 2020-04-08 23:13:05 -04:00
Axel Kohlmeyer f3a280a9f4
fix typo 2020-04-08 18:49:16 -04:00
Axel Kohlmeyer e5b521e011
remove BUILD_EXE and BUILD_LIB options from CMake files. we always build both. 2020-04-08 18:31:46 -04:00
Richard Berger 1c94415d1f Remove whitespace 2020-04-08 13:57:12 -04:00
Richard Berger 438ee4d75b Merge remote-tracking branch 'origin/master' into gpu_hip 2020-04-08 13:49:41 -04:00
Axel Kohlmeyer 459c1bbf63
Merge branch 'master' into cmake_clean_up 2020-04-07 16:17:33 -04:00
Christoph Junghans 4b6dcb3452 LAMMPSConfig.cmake.in: add support for some more packages 2020-04-06 14:51:44 -06:00
Christoph Junghans 5da96f4574 LAMMPSConfig.cmake: add support for PKG_USER-SCAFACOS and PKG_PYTHON 2020-04-06 12:10:39 -06:00
Christoph Junghans 6c8161b2a3 cmake: remove wrongly added warning about downloading 2020-04-06 12:10:00 -06:00
Christoph Junghans 73aeb74c2a LAMMPSConfig: more fixes for static liblammps 2020-04-05 20:51:02 -06:00
Christoph Junghans 2d92d8f8c6 LAMMPSConfig.cmake: fix linking against FFTW3 2020-04-05 20:06:56 -06:00
Christoph Junghans f0817321f9 LAMMPSConfig.cmake.in: improve static lib case 2020-04-05 19:52:28 -06:00
Christoph Junghans d8402b6249 KIM.cmake: doesn't require MPI 2020-04-05 19:24:12 -06:00
Christoph Junghans b9c747b680 KIM.cmake: indentation 2020-04-05 19:01:17 -06:00
Christoph Junghans d568fea7c3 cmake: derive LAMMPS_API_DEFINES from lammps target properties 2020-04-05 18:58:16 -06:00
Christoph Junghans 1b87ce04ee cmake: fix a typo 2020-04-05 15:40:15 -06:00
Christoph Junghans ac393ca38d GPU.cmake: use OpenCL imported target 2020-04-05 15:37:17 -06:00
Christoph Junghans a77166379b cmake: remove old comment 2020-04-05 15:23:23 -06:00
Christoph Junghans 6b199f502c cmake: add error for downloading with <=cmake-3.11 2020-04-05 15:14:30 -06:00
Christoph Junghans 9003553384 cmake: move OpenCL handling under Windows in GPU.cmake 2020-04-05 15:12:40 -06:00
Christoph Junghans e18439f387 cmake: make more include files consistent 2020-04-05 15:03:25 -06:00
Christoph Junghans 1988a2a725 cmake: make USER-H5MD.cmake consistent 2020-04-05 14:58:54 -06:00
Christoph Junghans 9aa6d04997 cmake: move if(PKG_) out of cmake file 2020-04-05 14:57:06 -06:00
Christoph Junghans 5411ae698f KSPACE.cmake: use MKL imported target 2020-04-05 14:39:13 -06:00
Christoph Junghans e8317b2f6b cmake: don't use PythonInterp on new cmake 2020-04-05 11:53:43 -06:00
Christoph Junghans 909b2dcff8 PYTHON.cmake: don't use PythonLibs on new cmake 2020-04-05 11:43:54 -06:00
Christoph Junghans 6f5fcd66ac cmake: check flags in CMAKE_TUNE_FLAGS 2020-04-05 08:58:34 -06:00
Axel Kohlmeyer 4e0eb0c501
no more need to set compiler flags for intel compiler in preset 2020-04-03 21:24:45 -04:00
Christoph Junghans 5c0e8a6b0d cmake: add options to summary 2020-04-03 15:24:11 -06:00
Christoph Junghans c54bb316b8 USER-INTEL.cmake: remove duplicated injection of GNU flags 2020-04-03 14:25:43 -06:00
Christoph Junghans 1daa4ce374 USER-INTEL.cmake: add_compile_options -> target_compile_options 2020-04-03 14:24:27 -06:00
Christoph Junghans 9df26bca55 cmake: export lmp executable as well 2020-04-03 13:39:28 -06:00
Christoph Junghans cab260f3ab cmake: fix mpi default on Windows 2020-04-03 09:57:14 -06:00
Christoph Junghans b83c98db14 USER-INTEL.cmake: clean up, create imported targets 2020-04-03 09:50:28 -06:00
Christoph Junghans a2353dfc50 cmake: removed unused FindTBB.cmake 2020-04-03 09:25:09 -06:00
Christoph Junghans bdc83020f0 cmake:LAMMPS::MPI -> MPI::MPI_CXX 2020-04-03 09:24:47 -06:00
Axel Kohlmeyer 8bcdc86d0f
properly pass --enable-stdcall-fixup when linking on windows with mingw cross-compiler 2020-04-03 10:16:20 -04:00
Christoph Junghans 2df524d782 USER-INTEL.cmake: fix TBB_MALLOC warning 2020-04-03 07:23:03 -06:00
Richard Berger 1e224611ca Add preliminary CMake support to GPU HIP port 2020-04-02 17:59:45 -04:00
Richard Berger 1ec91bc214 Add CMake function GenerateBinaryHeader to replace xxd steps 2020-04-02 14:22:04 -04:00
Christoph Junghans 9e563da3eb USER-PLUMED.cmake: use imported targets 2020-04-02 11:38:18 -06:00
Christoph Junghans a4a4562b03 KIM.cmake: remove _KIM_LIBDIR workaround 2020-04-01 11:56:34 -06:00
Christoph Junghans 0358e9c4c9 KIM.cmake: switch to imported targets 2020-04-01 11:46:01 -06:00
Christoph Junghans e5c5645520 MSCG.cmake: create imported target for downloaded mscg 2020-04-01 10:36:07 -06:00
Christoph Junghans 7059996356 USER-SCAFACOS.cmake: use imported target for downloaded scafacos 2020-04-01 09:02:51 -06:00
Christoph Junghans 9574a18a73 USER-SMD.cmake: use imported target for downloaded eigen3 2020-04-01 08:09:56 -06:00
Christoph Junghans 22b90413d5 LATTE.cmake: create and use imported target 2020-04-01 07:27:58 -06:00
Christoph Junghans 4202b4649b KOKKOS.cmake: create imported target for internal kokkos 2020-03-31 20:36:26 -06:00
Christoph Junghans 2f4571e31d VORONOI.cmake: create imported target for internal voro 2020-03-31 20:00:17 -06:00
Christoph Junghans b645800537 cmake: mark MPI::MPI_CXX global 2020-03-31 19:59:33 -06:00
Christoph Junghans 099880e91b cmake: add missing size defines 2020-03-31 16:35:28 -06:00
Christoph Junghans 53ce24fac1 cmake: remove LAMMPS_USE_MPI4WIN hacks 2020-03-31 16:12:16 -06:00
Christoph Junghans 041941ed81 MPI4WIN.cmake: remove duplicated -D 2020-03-31 15:37:39 -06:00
Christoph Junghans 05ecda3748 cmake: try to fix MPI4WIN build 2020-03-31 15:06:40 -06:00
Christoph Junghans ef0df90b48 Merge branch 'master' into cmake_clean_up 2020-03-31 14:42:28 -06:00
Christoph Junghans 119ba61c09 cmake: fix MPI linkage 2020-03-31 08:23:59 -06:00
Christoph Junghans cfd8ea1e36
KOKKOS.cmake: added missing default. 2020-03-30 13:53:26 -06:00
Christoph Junghans 1ceb335059
KOKKOS.cmake: make doc more clear 2020-03-30 12:29:19 -06:00
Christoph Junghans 802909386b
KOKKOS.cmake: fix a typo 2020-03-30 12:28:24 -06:00
Christoph Junghans dd7cb2b770 cmake: fix up kokkos-3.0 update 2020-03-30 11:51:30 -06:00
Axel Kohlmeyer 3806222e04
make configuations summary more consistent, recover defines 2020-03-30 10:25:04 -04:00
Christoph Junghans fa2df0df0f cmake: clean up header install 2020-03-28 15:42:51 -06:00
Christoph Junghans b331b2db10 cmake: make incl. dir work under windows as well 2020-03-28 09:30:02 -06:00
Christoph Junghans 4aadb554a3 cmake: replace incl. dir hack by even better hack 2020-03-28 08:43:13 -06:00
Christoph Junghans fb9f31580c cmake: install mpi.h in mpi/ subdir 2020-03-28 08:08:26 -06:00
Christoph Junghans 635cca1e8d cmake: add info.h to install 2020-03-28 07:39:30 -06:00
Axel Kohlmeyer c4440be392
there are no more fortran sources in "simple" package libraries 2020-03-27 22:12:40 -04:00
Christoph Junghans 89eb5fc65a cmake: fix build for shared libs 2020-03-27 15:35:05 -06:00
Christoph Junghans 055764c20a cmake: install exceptions.h as well 2020-03-27 15:20:10 -06:00
Christoph Junghans 16ac65e8cf cmake: make mpi public again 2020-03-27 15:01:51 -06:00
Christoph Junghans e88e8bdabe cmake: improve install of support libs 2020-03-26 15:00:46 -06:00
Christoph Junghans 897f5b19be cmake: improve exported target a bit 2020-03-26 08:41:05 -06:00
Christoph Junghans 73b8c5ec6b USER-PLUMED.cmake: fix fftw3 linkage 2020-03-25 19:46:10 -06:00
Christoph Junghans a08cf6d609 cmake: mpi_stubs needs to be public 2020-03-25 19:41:34 -06:00
Christoph Junghans b60acaa657 MESSAGE.cmake: fix up 2020-03-25 19:19:00 -06:00
Christoph Junghans 01a51d655c cmake: move kokkos to external project (part I) 2020-03-25 19:11:49 -06:00
Christoph Junghans af6849f783 cmake: fix up MESSAGE.cmake 2020-03-25 18:10:52 -06:00
Christoph Junghans 761de9b13c cmake: add more libs to export target 2020-03-25 18:05:36 -06:00
Christoph Junghans cad6332065 cmake: add gpu to export target 2020-03-25 18:01:01 -06:00
Christoph Junghans ad731869d7 cmake: fix atc compile 2020-03-25 16:18:19 -06:00
Christoph Junghans 568aaeca22 cmake: needs mpi 2020-03-25 15:04:20 -06:00
Christoph Junghans 1e59101606 cmake: fix exported target 2020-03-25 14:52:27 -06:00
Christoph Junghans ad37c0a806 USER-SMD.cmake: fix a typo 2020-03-25 14:42:23 -06:00
Christoph Junghans 2571b6058e LATTE.cmake: create and use imported target 2020-03-25 11:26:19 -06:00
Christoph Junghans 58c9c4c64b USER-H5MD.cmake: make hdf5 incldir public 2020-03-25 10:14:42 -06:00
Christoph Junghans b9131fcd18 Merge remote-tracking branch 'origin/master' into cmake_clean_up 2020-03-25 09:36:36 -06:00
Christoph Junghans ee3249676e cmake: use OpenMP imported target 2020-03-25 09:09:59 -06:00
Christoph Junghans 0e9f65e021 cmake: add exported target 2020-03-25 08:43:57 -06:00
Christoph Junghans b8464da71f cmake: remove FindLAMMPS.cmake 2020-03-25 07:45:21 -06:00
Christoph Junghans 0da108f06f cmake: remove last include_directories() call 2020-03-24 14:50:38 -06:00
Christoph Junghans 5eb77f2e9a FindNetCDF.cmake: fix target 2020-03-24 14:29:14 -06:00
Christoph Junghans 99d4a226b5 USER-NETCDF.cmake: create and use imported targets 2020-03-24 12:33:36 -06:00
Christoph Junghans f5279a291e USER-QUIP.cmake: create and use imported target 2020-03-24 12:23:39 -06:00
Christoph Junghans d19f112c75 MSCG.cmake: fix up imported target 2020-03-24 12:18:10 -06:00
Christoph Junghans 72c94f0fbf USER-SCAFACOS.cmake: use imported pkg-config target 2020-03-24 11:49:24 -06:00
Christoph Junghans d8b6d10f3b MSCG.cmake: create an use imported target 2020-03-24 11:42:36 -06:00
Christoph Junghans 33a57ed215 cmake: some more include_directories() -> target_include_directories() 2020-03-24 11:36:21 -06:00
Christoph Junghans 4736402dd9 cmake: atc needs mpi itself 2020-03-24 11:07:45 -06:00
Christoph Junghans 51eb865d63 VORONOI.cmake: use VORO imported target 2020-03-24 11:05:25 -06:00
Christoph Junghans 9b244b14a6 atc: needs lammps.h 2020-03-24 10:56:49 -06:00
Christoph Junghans 31930139c6 USER-SMD.cmake: use Eigen3 imported target 2020-03-24 10:49:13 -06:00
Christoph Junghans f2ab654662 cmake: some include_directories() -> target_include_directories() 2020-03-24 10:41:19 -06:00
Christoph Junghans 572502b33d cmake: add_definitions() -> target_compile_definitions() 2020-03-24 09:35:57 -06:00
Christoph Junghans e76afb33ed cmake: update to new target_link_libraries() signature 2020-03-23 12:06:58 -06:00
Christoph Junghans d92b9ba8d0 cmake: mpi needs to be public due to DSO 2020-03-23 08:51:29 -06:00
Christoph Junghans 9b8266173f cmake: JPEG imported target is >=cmake-3.12 only 2020-03-23 08:23:16 -06:00
Christoph Junghans 6ee25db32a cmake: fftw needs to be public due to DSO 2020-03-23 08:00:51 -06:00
Christoph Junghans a42f7163d2 cmake: move include up 2020-03-22 21:29:15 -06:00
Axel Kohlmeyer 98bfbbd576
fix typo in CMake module 2020-03-22 22:21:12 -04:00
Christoph Junghans 591212af3a cmake: add back include path for now 2020-03-22 19:57:48 -06:00
Christoph Junghans 3076e26707 cmake: create imported target for FFTW 2020-03-22 19:20:00 -06:00
Christoph Junghans 0e3f4f3de2 cmake: remove LAMMPS_DEPS 2020-03-22 19:07:23 -06:00
Christoph Junghans 5828815b3e cmake: remove LAMMPS_LINK_LIBS 2020-03-22 18:55:53 -06:00
Christoph Junghans cd89a7c4b7 cmake: fix renamed target for exe 2020-03-22 18:03:07 -06:00
Christoph Junghans 62cb760ee2 cmake: remove LIB_SOURCES and LMP_SOURCES 2020-03-22 14:42:29 -06:00
Axel Kohlmeyer 79b84c0847
more thorough checking if BUILD_OMP may be enabled by default. we need the OpenMP runtime, too. 2020-03-22 15:44:28 -04:00
Michael Lamparski 6563331d6e rename to LAMMPS_OMP_COMPAT, improve docs 2020-03-20 13:21:21 -04:00
Michael Lamparski 9a1b4a8edb Add infrastructure for openmp4 compat 2020-03-20 12:46:24 -04:00
Axel Kohlmeyer 9cfa5506fd
flags may be empty, compiler never, if used 2020-03-19 16:46:46 -04:00
Axel Kohlmeyer 9397a763e2
tweak MinGW preset settings to reduce linker warnings 2020-03-19 16:45:22 -04:00
Christoph Junghans a541434e0a cmake: remove hard-coded liblinalg 2020-03-19 13:49:13 -06:00
Axel Kohlmeyer 61ebf897e4
expand comment about MinGW cross-compiler hack 2020-03-19 13:31:23 -04:00
Axel Kohlmeyer 38edf20d08
add CMake support for building LAMMPS for windows with MPI 
- Handle the MPI support as an External project.
- Also we can enable a few more packages now, that depend on MPI
- Improved dependency tracking for parallel builds
- cross compiler build can now also work with ninja
 2020-03-19 10:46:42 -04:00
Axel Kohlmeyer b1af0a5bd8
add workaround in CMake support for building with MinGW cross-compilers 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 3bd529342e
cross-compilation improvements 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 5fbb1fa331
small tweak to MinGW preset and correct corresponding entry in documentation 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 130113927b add new preset "intel" to enable Intel compilers. Tweak Clang settings 2020-03-19 00:22:41 -04:00
Axel Kohlmeyer 2714fad178
Merge branch 'master' into collected-small-changes 
# Conflicts:
#	doc/src/Build_development.rst
 2020-03-18 20:59:16 -04:00
Axel Kohlmeyer d1388b4ea8
Merge pull request #1941 from e-kwsm/typo 
Fix typos in comments and output.
 2020-03-18 20:24:06 -04:00
Axel Kohlmeyer 4a5125f450
make behavior of CMAKE_TUNE_FLAGS more consistent and allow to turn it off 2020-03-17 19:16:02 -04:00
Axel Kohlmeyer f893f4f8c7
set host specific optimizations in CMAKE_TUNE_FLAGS, so they can be conveniently overridden 2020-03-17 14:48:20 -04:00
Axel Kohlmeyer b692da3b01
include building tools in "most" preset 2020-03-17 00:57:30 -04:00
Christoph Junghans 0b293080c9
MSCG.cmake: fix build (hopefully) 2020-03-15 19:51:04 -06:00
Axel Kohlmeyer c0b39e654f
make MSCG library build compatible with using ninja 2020-03-15 19:07:26 -04:00
Axel Kohlmeyer a4335904b6
need to recheck for MPI after enabling fortran to have MPI_Fortran_LIBRARIES set 2020-03-15 18:37:39 -04:00
Axel Kohlmeyer d25b73f76d
also report fortran MPI libs, if configured 2020-03-15 18:36:57 -04:00
Axel Kohlmeyer 0b6ab1d15a
need to forward some (more) cmake settings to external projects. simplify KIM handling of fortran support. 2020-03-15 17:47:30 -04:00
Christoph Junghans f536451968 cmake: add generator to summary 2020-03-15 13:46:11 -06:00
Christoph Junghans 266a755938 CheckIfNinjaSupportsFortran.cmake -> CheckGeneratorSupport.cmake 2020-03-15 13:45:47 -06:00
Christoph Junghans 241f30fd53 added missing CheckIfNinjaSupportsFortran.cmake 2020-03-15 13:34:38 -06:00
Christoph Junghans 9cf1d37556 cmake: move fortran check for ninja in an include 2020-03-14 07:21:06 -06:00
Christoph Junghans d60901e777 Merge remote-tracking branch 'origin/cmake_remove_ninja_warning' into fix_external_project_ninja 2020-03-14 07:05:29 -06:00
Christoph Junghans d941130e6a USER-SCAFACOS.cmake: fix build with ninja 2020-03-14 07:04:58 -06:00
Christoph Junghans ad9415d260 USER-PLUMED.cmake: fix build with ninja 2020-03-14 06:59:04 -06:00