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892 Commits

Author SHA1 Message Date
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
Christoph Junghans 9d3ca87953 MSCG.cmake: fix build with ninja 2020-03-14 06:52:06 -06:00
Christoph Junghans f9e2a2d120 LATTE.cmake: fix build with ninja 2020-03-14 06:51:00 -06:00
Christoph Junghans d0ec427293 KIM.cmake: fix build with ninja 2020-03-14 06:49:57 -06:00
Eisuke Kawashima 649a8cc01a
Fix typo 2020-03-14 13:57:48 +09:00
Christoph Junghans 6cc7ac65a5 VORONOI.cmake: fix ninja build 2020-03-13 20:46:14 -06:00
Christoph Junghans 9f537f7f40 cmake: ninja-1.10 supports Fortran now 2020-03-12 14:34:46 -06:00
Axel Kohlmeyer fa7085be07
Merge pull request #1930 from giacomofiorin/remove-lepton-cxx11-check 
Remove now unneeded check for C++11 in Lepton CMake build
 2020-03-12 13:09:44 -04:00
Giacomo Fiorin de6d1efe7a Remove now unneeded check for C++ standard in Lepton CMake build 2020-03-12 10:33:48 -04:00
Eisuke Kawashima 8af9d40392
Update DOI resolver 
https://www.doi.org/doi_handbook/2_Numbering.html#htmlencoding
 2020-03-12 16:53:24 +09:00
Axel Kohlmeyer d2986b7495
update CMake presets 2020-03-09 11:04:26 -04:00
Axel Kohlmeyer a0fb7c812c
Merge branch 'master' into collected_small_fixes 2020-03-09 10:53:42 -04:00
Axel Kohlmeyer a6086c279b
rename USER-MESO package to USER-MESODPD and update related files and folders 2020-03-09 09:48:49 -04:00
Axel Kohlmeyer 45902772b7
Merge branch 'minimizer' of github.com:yafshar/lammps into collected_small_fixes 2020-03-09 09:15:40 -04:00
Axel Kohlmeyer 980ef8095a
include USER-REACTION in "most" preset 2020-03-05 22:57:17 -05:00
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 4cacc4701d
update plumed support to include version 2.6.0. Fix bug in API check 2020-02-13 16:03:58 +01:00
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 53554fdb84
add -DFFT_CUFFT for KOKKOS only when KISSFFT is not selected 2020-01-22 16:56:12 -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
Axel Kohlmeyer 7cb36d1705
Merge branch 'master' into fft 2020-01-12 20:22:15 -05:00
jrgissing 683d6ce9b3 'install' USER-REACTION package 2020-01-09 21:11:30 -07:00
jotelha 46584d4520
Update cmake/Modules/FindPNetCDF.cmake 
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
 2020-01-07 13:26:01 +01:00
jotelha 24ef36dd4d
Update cmake/Modules/FindPNetCDF.cmake 
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
 2020-01-07 13:25:54 +01:00
jotelha 3f24144abd
Update cmake/Modules/FindPNetCDF.cmake 
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
 2019-12-22 13:25:24 +01:00
jotelha 0c7d6a01e8
Update cmake/Modules/FindNetCDF.cmake 
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
 2019-12-22 13:25:08 +01:00
jotelha 4e7bcee8e3
Update cmake/Modules/FindNetCDF.cmake 
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
 2019-12-22 13:24:34 +01:00
Johannes Hörmann c8a53d560a Find parallel NetCDF with cmake for USER-NETCDF 
Conflicts:
	cmake/presets/forhlr2-gnu.cmake
 2019-12-20 17:59:05 +01:00
Stan Moore c169e88268 Update from master 2019-12-13 16:42:05 -07:00
Richard Berger 1f9f85e798 Mark LMP_NO_SSL_CHECK and LMP_DEBUG_CURL as advanced options 2019-12-12 14:17:32 -05:00
Yaser Afshar b0d0037f50 Certificate Verification 
if SSL report an error ("certificate verify failed") during the
handshake and thus refuses further communication with that server,
you can specify your own CA cert path by setting the environment
variable CURL_CA_BUNDLE to the path of your choice.
 2019-12-12 12:57:34 -06:00
Richard Berger 19b265f845 Update CMake-based doc build 2019-11-16 23:57:12 -05:00
Axel Kohlmeyer 22288e06b7
Merge branch 'master' into fix-compiler-warnings 2019-10-25 14:07:50 -04:00
Axel Kohlmeyer 6767fa5604
update supported plumed library to version 2.5.3 2019-10-20 16:27:32 -04:00
Axel Kohlmeyer f4fcd2a911
flag that MESSAGE package is not compatible with -DLAMMPS_BIGBIG 2019-10-19 09:50:07 -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 108b9a0a36
USER-MOLFILE cannot be configured with CMake 2.8.12, requiring 3.10. 2019-10-17 06:33:13 -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 e4c77f047f
document COLVARS_LEPTON flag to CMake configuration 2019-10-16 16:19:12 -04:00
Axel Kohlmeyer 437c0e59f2
Merge pull request #1724 from lammps/lepton-cxx11-handling 
Upgrade Lepton library, handle its C++11 requirement
 2019-10-16 21:11:00 +02:00
Giacomo Fiorin 2c9ae7ab4b Add -DCOLVARS_LEPTON, track user's choice via DISABLE_CXX11_REQUIREMENT 2019-10-16 08:35:37 -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
Axel Kohlmeyer 9a3824bfc1
add SNAP to "most" preset, since it seems to be used more frequently these days 2019-10-15 16:55:10 +02:00
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 28c9255f99
don't include USER-PLUMED in "most" preset 2019-10-14 08:02:59 -04:00
Axel Kohlmeyer 766b8c58d8
Merge branch 'master' into fft 2019-10-08 16:51:11 +02:00
Axel Kohlmeyer 178ca78dd9 add TODO comment for experimental and thus currently undocumented CMake option 2019-10-07 18:57:28 +02:00
Axel Kohlmeyer c37a64fd4f
Merge branch 'master' into fft 2019-09-25 15:56:49 -04:00
Christoph Junghans 3f0d1cb270 cmake: LMP_KOKKOS define is always needed 2019-09-24 13:15:48 -06:00
Christoph Junghans d7a8792916 cmake: allow to build against an external libkokkos 2019-09-19 14:26:07 -06:00
Axel Kohlmeyer 2ea11b3195
implement test for C++11 and document it 2019-09-18 15:50:26 -04:00
Axel Kohlmeyer d62ef0df82
add omitted cmake entries for recent KOKKOS package changes 2019-09-13 12:26:07 -04:00
Axel Kohlmeyer 11cb542211
add omitted cmake entries for recent KOKKOS package changes 2019-09-12 15:59:37 -04:00
Axel Kohlmeyer cd57708e85
Merge branch 'master' into fft 2019-09-12 15:51:02 -04:00
Axel Kohlmeyer 92c77a2b37
Merge pull request #1634 from junghans/kim-api-version 
cmake: add version check for kim-api
 2019-09-05 13:59:46 -04:00
Richard Berger 364ccf6361 Fix typo 2019-09-04 16:26:03 -04:00
Richard Berger 09937c9941 Add missing npair style for KOKKOS when using CMake 2019-08-22 18:36:36 -04:00
Ryan S. Elliott 5cee51204c Adjust warnings for default kim download behavior settings 2019-08-17 12:04:00 -05:00
Ryan S. Elliott 3a4e6c0dfd Revert "Update FindKIM-API.cmake" 
This reverts commit 2f531d0dab.
 2019-08-17 11:40:13 -05:00
Christoph Junghans 2f531d0dab
Update FindKIM-API.cmake 2019-08-16 12:05:20 -06:00
Christoph Junghans 379fa22147 FindKIM-API.cmake: address Ryan's comments 2019-08-16 10:30:09 -06:00
Ryan S. Elliott 42711245a2 bump kim-api to 2.1.3 2019-08-16 10:08:23 -06:00
Christoph Junghans cd77f71e99 cmake: add version check for kim-api 2019-08-15 12:56:15 -06:00
Christoph Junghans edbd525bcb cmake: install chain.x as well 2019-08-14 17:16:43 -06:00
Axel Kohlmeyer 3ef93d6e1b
cannot forced enable FFMpeg and gzip on windows yet. 2019-08-05 16:59:18 -04:00
Axel Kohlmeyer 16bf916dd0
Merge pull request #1616 from akohlmey/fixes-for-stable 
Collected small fixes for stable release
 2019-08-05 16:48:50 -04:00
Richard Berger f2757eaf41 Mention LAMMPS_LIB_SUFFIX in docs 2019-08-05 14:00:56 -04:00
Axel Kohlmeyer 096c225594
Merge pull request #1613 from rbberger/cmake_docs_update 
Update CMake documentation
 2019-08-04 18:32:11 -04:00
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
Richard Berger eb7fa1b6cb Update CMake documentation 2019-08-02 17:04:59 -04:00
Axel Kohlmeyer 5c25355b9b
update comments 2019-08-02 12:18:10 -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 8b134cb0c9
refactor FFT handling in CMake module for KSPACE. 
This also improves the FFT info output in the PPPM styles

# Conflicts:
#	cmake/Modules/Packages/KSPACE.cmake
 2019-08-02 12:14:27 -04:00
Axel Kohlmeyer 5b4b418289
use check_language() instead of enable_language() to get fortran compiler name 2019-08-01 18:24:14 -04:00
Axel Kohlmeyer 8df7f51470
Merge branch 'master' into timeout-for-replica 2019-08-01 16:56:49 -04:00
Axel Kohlmeyer f9e34825f0
workaround for xcode oddity with compiling voro++ 2019-08-01 16:42:52 -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 528ec75f88
special case for MacOSX not needed 2019-07-30 16:38:40 -04:00
Axel Kohlmeyer f5bf86b32d
more improvements to CMake build for USER-PLUMED on MacOSX 
default to shared linkage on MacOSX to avoid linker issues from
configure/cmake library detection differences

link/depend on GSL and LAPACK explicitly only for static linkage
 2019-07-30 16:27:00 -04:00
Axel Kohlmeyer 2d93a713e2
Merge branch 'master' into collected-small-changes 2019-07-30 14:14:11 -04:00
Stan Moore 9a43a6824c Fix issues 2019-07-30 09:25:24 -06:00
Axel Kohlmeyer 7ab7691c51
update PLUMED support to version 2.5.2 2019-07-30 05:57:57 -04:00
Ryan S. Elliott c9f3f99ee8 Update to kim-api-2.1.2 2019-07-29 21:48:12 -05:00
Axel Kohlmeyer 6833d6def6
Merge branch 'master' into kim-simulator-models 
# Resolved Conflicts:
#	src/KIM/kim_query.cpp
#	src/KIM/pair_kim.cpp
 2019-07-29 20:43:10 -04:00
Stan Moore 4874fcc32a
Merge branch 'master' into fft 2019-07-29 14:05:46 -06:00
Axel Kohlmeyer 96e0b03ede
.frc files only need to be installed if msi2lmp is built 2019-07-29 13:38:38 -04:00