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Commit Graph

255 Commits

Author SHA1 Message Date
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 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
Christoph Junghans e88e8bdabe cmake: improve install of support libs 2020-03-26 15:00:46 -06:00
Christoph Junghans 73b8c5ec6b USER-PLUMED.cmake: fix fftw3 linkage 2020-03-25 19:46:10 -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 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 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 51eb865d63 VORONOI.cmake: use VORO imported target 2020-03-24 11:05:25 -06:00
Christoph Junghans 31930139c6 USER-SMD.cmake: use Eigen3 imported target 2020-03-24 10:49:13 -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 6ee25db32a cmake: fftw needs to be public due to DSO 2020-03-23 08:00:51 -06:00
Axel Kohlmeyer 98bfbbd576
fix typo in CMake module 2020-03-22 22:21:12 -04:00
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 62cb760ee2 cmake: remove LIB_SOURCES and LMP_SOURCES 2020-03-22 14:42:29 -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 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 f893f4f8c7
set host specific optimizations in CMAKE_TUNE_FLAGS, so they can be conveniently overridden 2020-03-17 14:48:20 -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 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 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 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
Giacomo Fiorin de6d1efe7a Remove now unneeded check for C++ standard in Lepton CMake build 2020-03-12 10:33:48 -04:00
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
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 53554fdb84
add -DFFT_CUFFT for KOKKOS only when KISSFFT is not selected 2020-01-22 16:56:12 -05:00
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
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 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 108b9a0a36
USER-MOLFILE cannot be configured with CMake 2.8.12, requiring 3.10. 2019-10-17 06:33:13 -04:00
Giacomo Fiorin 2c9ae7ab4b Add -DCOLVARS_LEPTON, track user's choice via DISABLE_CXX11_REQUIREMENT 2019-10-16 08:35:37 -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 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
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 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