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596 Commits

Author SHA1 Message Date
Christoph Junghans 6f5fcd66ac cmake: check flags in CMAKE_TUNE_FLAGS 2020-04-05 08:58:34 -06:00
Christoph Junghans 5c0e8a6b0d cmake: add options to summary 2020-04-03 15:24:11 -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 bdc83020f0 cmake:LAMMPS::MPI -> MPI::MPI_CXX 2020-04-03 09:24:47 -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 05ecda3748 cmake: try to fix MPI4WIN build 2020-03-31 15:06:40 -06:00
Christoph Junghans 119ba61c09 cmake: fix MPI linkage 2020-03-31 08:23:59 -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 a08cf6d609 cmake: mpi_stubs needs to be public 2020-03-25 19:41:34 -06:00
Christoph Junghans ad731869d7 cmake: fix atc compile 2020-03-25 16:18:19 -06:00
Christoph Junghans 1e59101606 cmake: fix exported target 2020-03-25 14:52:27 -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 4736402dd9 cmake: atc needs mpi itself 2020-03-24 11:07:45 -06:00
Christoph Junghans 9b244b14a6 atc: needs lammps.h 2020-03-24 10:56:49 -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 a42f7163d2 cmake: move include up 2020-03-22 21:29:15 -06:00
Christoph Junghans 591212af3a cmake: add back include path for now 2020-03-22 19:57:48 -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
Christoph Junghans a541434e0a cmake: remove hard-coded liblinalg 2020-03-19 13:49:13 -06:00
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 3bd529342e
cross-compilation improvements 2020-03-19 09:00:36 -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 d25b73f76d
also report fortran MPI libs, if configured 2020-03-15 18:36:57 -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 9cf1d37556 cmake: move fortran check for ninja in an include 2020-03-14 07:21:06 -06:00
Christoph Junghans 9f537f7f40 cmake: ninja-1.10 supports Fortran now 2020-03-12 14:34:46 -06:00
Axel Kohlmeyer a6086c279b
rename USER-MESO package to USER-MESODPD and update related files and folders 2020-03-09 09:48:49 -04:00
Jacob Gissinger 21f2ec3a25
Merge branch 'master' into bond/react-new-examples-and-package 2020-03-05 20:08:19 -07:00
Axel Kohlmeyer 1fb54c307c
Merge pull request #1918 from akohlmey/collected-small-fixes 
Collected small fixes for the next patch
 2020-03-05 15:16:50 -05:00
Axel Kohlmeyer 0fba0b1bc1
handle empty build type 2020-03-05 14:39:40 -05:00
Axel Kohlmeyer b0c6641f1b
tweak compiler flags for Intel and GNU 2020-03-05 10:16:38 -05:00
Axel Kohlmeyer 1642bf5afc
always skip deprecated C++ MPI interface 2020-03-05 10:16:21 -05:00
Axel Kohlmeyer ec87a51a61
put C++11 compliance check into CMake 2020-03-04 14:52:38 -05:00
Axel Kohlmeyer a972850b39
require CMake version 3.10. remove tests for older versions. 2020-03-04 14:28:33 -05:00
Axel Kohlmeyer 5a8eaed13b
Update handling of USER-QMMM package in CMake scripts. minor cosmetic changes 2020-02-20 14:39:53 +01:00
jrgissing ec887b37da Merge branch 'master' of https://github.com/lammps/lammps into bond/react-new-examples-and-package 2020-02-17 21:34:20 -07:00
Axel Kohlmeyer 795f2fd894
properly support threaded FFTs with MKL and document it. remove commented out FFTW2 code 2020-01-27 11:00:57 -05:00
Axel Kohlmeyer f14b200b6a
correct KOKKOS FFT output for CMake summary one more time 2020-01-23 00:27:00 -05:00
Axel Kohlmeyer c126df4f79
update KOKKOS FFT status message in CMake summary 2020-01-22 17:08:58 -05:00
Axel Kohlmeyer 9a27aa4e9e
Merge branch 'master' into fft 
# Conflicts:
#	src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
 2020-01-22 15:21:08 -05:00
Christoph Junghans 392b32ef6f
cmake: fix warning about chain.x 2020-01-14 14:26:28 -07:00
Axel Kohlmeyer 15603e0ff7
add documentation for including cufft with KOKKOS+CUDA (for conventional build, CMake is automatic) 2020-01-12 21:46:02 -05:00
Axel Kohlmeyer 3784df23f0
use FFT_FFTW_THREADS consistently, add CUFFT to CMake, minor improvements 2020-01-12 21:32:07 -05:00
jrgissing 683d6ce9b3 'install' USER-REACTION package 2020-01-09 21:11:30 -07:00
Stan Moore c169e88268 Update from master 2019-12-13 16:42:05 -07:00
Axel Kohlmeyer 22288e06b7
Merge branch 'master' into fix-compiler-warnings 2019-10-25 14:07:50 -04:00
Axel Kohlmeyer 7358a3ce06
mirror changes to conventional build to forcibly enable c++11 for intel compilers 2019-10-18 18:34:39 -04:00
Axel Kohlmeyer 9a4f208e4e
need to enable C compilation to detect BLAS/LAPACK on CMake 2.8.12 2019-10-17 06:32:35 -04:00
Axel Kohlmeyer 68adc56e93
Merge branch 'master' into fix-compiler-warnings 2019-10-17 06:03:59 -04:00
Axel Kohlmeyer 4aa47386ea
make handling of (temporary) C++11 check disabling define behave consistent across CMake versions 2019-10-15 18:42:59 -04:00
Giacomo Fiorin b6a6638f49 Add CMake recipe for USER-COLVARS, test C++11 before including Lepton 2019-10-14 16:05:45 -04:00
Axel Kohlmeyer c37a64fd4f
Merge branch 'master' into fft 2019-09-25 15:56:49 -04:00
Axel Kohlmeyer 2ea11b3195
implement test for C++11 and document it 2019-09-18 15:50:26 -04:00
Axel Kohlmeyer cd57708e85
Merge branch 'master' into fft 2019-09-12 15:51:02 -04:00
Christoph Junghans edbd525bcb cmake: install chain.x as well 2019-08-14 17:16:43 -06:00
Axel Kohlmeyer 58d27403f1
CMake tweaks to improve building LAMMPS for windows with mingw on Linux 2019-08-04 18:28:26 -04:00
Axel Kohlmeyer 5b3423c60e
tweaks for Linux to Windows cross-compilation 2019-08-03 11:16:14 -04:00
Axel Kohlmeyer 6a65deeb65
make support for threaded FFTW3 consistent and incorporate it into CMake 
This now also includes threaded FFTW3 for regular FFTs, not only KOKKOS.
 2019-08-02 12:14:32 -04:00
Axel Kohlmeyer bc79412203
list(TRANSFORM ...) is not portable to older versions of cmake. work around it. 2019-07-30 22:54:02 -04:00
Axel Kohlmeyer 2d93a713e2
Merge branch 'master' into collected-small-changes 2019-07-30 14:14:11 -04:00
Axel Kohlmeyer 96e0b03ede
.frc files only need to be installed if msi2lmp is built 2019-07-29 13:38:38 -04:00
Axel Kohlmeyer 5307558727
need to install some base C++ headers for C++ library use 2019-07-29 13:34:04 -04:00
Axel Kohlmeyer e8d891c0dd
simplify installation of data folders and make it consistent 
fixes #1586
 2019-07-26 06:06:03 -04:00
Axel Kohlmeyer 24d9c537c0
only search for LAPACK when building in static mode and when it is not needed for something else 2019-07-24 16:01:46 -04:00
Axel Kohlmeyer bcf600d781
let CMake configuration default to Release with debug settings 
this way we can more easily get detailed stack traces from people compiling with CMake
 2019-07-17 15:47:28 -04:00
Axel Kohlmeyer 06275b03c0
refactor FFT handling in CMake module for KSPACE. 
This also improves the FFT info output in the PPPM styles
 2019-07-17 15:46:39 -04:00
Axel Kohlmeyer f8f8e441b9
add missing cmake package module 2019-06-19 07:06:54 -04:00
Axel Kohlmeyer f4f4a7c850
adapt for Ninja build tool, which cannot handle sub-builds and fortran 
so builds of downloaded libraries are not supported right now
 2019-06-17 14:24:51 -04:00