96e0b03ede
.frc files only need to be installed if msi2lmp is built
2019-07-29 13:38:38 -04:00
5307558727
need to install some base C++ headers for C++ library use
2019-07-29 13:34:04 -04:00
e8d891c0dd
simplify installation of data folders and make it consistent
...
fixes #1586
2019-07-26 06:06:03 -04:00
bcf600d781
let CMake configuration default to Release with debug settings
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this way we can more easily get detailed stack traces from people compiling with CMake
2019-07-17 15:47:28 -04:00
06275b03c0
refactor FFT handling in CMake module for KSPACE.
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This also improves the FFT info output in the PPPM styles
2019-07-17 15:46:39 -04:00
f8f8e441b9
add missing cmake package module
2019-06-19 07:06:54 -04:00
f4f4a7c850
adapt for Ninja build tool, which cannot handle sub-builds and fortran
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so builds of downloaded libraries are not supported right now
2019-06-17 14:24:51 -04:00
5fc3081a55
make building tools (msi2lmp, chain.x) an option, which is off by default
2019-06-17 14:23:30 -04:00
dbafb92dd5
cmake minor cleanup and removal of redundant code and empty lines
2019-06-11 14:02:41 -04:00
b368b11d60
Move ShowHelp test into Testing.cmake
2019-06-09 22:31:56 -04:00
591e6836fd
Move CMake configuration for USER-H5MD into its own file
2019-06-09 22:24:59 -04:00
4ac100fe69
Define additional LAMMPS_*_DIRS to remove relative paths later
2019-06-09 22:05:53 -04:00
4ecd81f81b
Move CMake configuration of PYTHON package into its own file
2019-06-09 21:48:05 -04:00
203c6d122b
Move KSPACE CMake configuration into its own file
2019-06-09 21:37:34 -04:00
e788d32678
Move autogen check into utility function
2019-06-09 04:02:08 -04:00
ae59ffe83e
Move more CMake configurations to own files
2019-06-09 03:54:52 -04:00
99a8d3c2ed
Create CMake files for several packages
...
This remove the CMake configuration of several larger packages and places
it into their own files in the Modules/Packages folder.
- COMPRESS
- KIM
- LATTE
- MESSAGE
- MSCG
- USER-MOLFILE
- USER-NETCDF
- USER-PLUMED
- USER-QMMM
- USER-QUIP
- USER-SCAFACOS
- USER-SMD
- USER-VTK
2019-06-09 03:35:25 -04:00
ca1445788e
Move CMake configuration of VORONOI package into its own file
2019-06-09 03:23:23 -04:00
0908bd7aaf
Move code coverage and testing into their own files
2019-06-09 03:18:20 -04:00
afab5ef303
Move CMake part on coverage into its own file
2019-06-07 12:24:35 -04:00
a7c02e699e
Move CMake utilities into LAMMPSUtils.cmake
2019-06-07 12:18:49 -04:00
8fed39d726
Move CMake documentation build section into its own file
2019-06-07 12:16:01 -04:00
2ebc40deb3
cmake: check for immintrin.h
2019-06-05 11:13:48 -06:00
021f0c1fc6
use consistent variable evaluation in if()
2019-06-03 19:50:48 -04:00
5d96ecff25
fix typo
2019-06-03 19:44:40 -04:00
c76b79f021
chance test for OpenMP default setting to be compatible with CMake 2.8.x
2019-06-03 19:36:28 -04:00
9d51ee17b0
change the default for gcc 9.x and beyond to not enable OpenMP by default even if it is found to be supported
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this is so that using CMake by default will compile LAMMPS, since gcc 9.x
expects different sharing semantics for constants than previous versions.
2019-05-30 22:23:50 -04:00
daac3f7102
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
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Improved error messages when a style is not found
2019-05-30 06:34:56 -04:00
4dc90b367e
Merge pull request #1458 from wmbrownIntel/user-intel-bigbig
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USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload.
2019-05-14 15:09:06 -04:00
a26dc1b356
allow using -DLAMMPS_BIGBIG also with CMake
2019-05-14 14:35:41 -04:00
66f7f2a5ef
pass more cmake settings to LATTE downloaded library build
2019-05-04 15:11:53 -04:00
d7da1db745
teach CMake that verlet/lrt/intel depends on KSPACE
2019-05-01 08:20:24 -04:00
66d94572e0
Add missing includes to OpenCL CMake builds of re_squared and tersoff kernels
2019-04-30 01:37:27 -04:00
db74f14f33
Merge branch 'master' into report-uninstalled-pkg-style
...
# Conflicts:
# cmake/CMakeLists.txt
2019-04-08 17:16:30 -04:00
69c1a7954a
correct test for leftovers from conventional builds
2019-04-08 17:14:59 -04:00
dc40886d23
improve comments and formatting
2019-04-08 06:40:39 -04:00
6ee002d6cf
add cmake support for enhanced missing style error reports
2019-04-07 22:32:31 -04:00
8c4a497af4
set default to automatically download scafacos lib if not found
2019-04-07 06:10:39 -04:00
e57e4a730b
more packages with default-to-download-if-lib-not-found
2019-04-07 00:45:57 -04:00
1dd21e6e0c
make downloaded LATTE library use the same BLAS/LAPACK as LAMMPS
2019-04-06 23:44:27 -04:00
a6c9a782a4
add manpage for msi2lmp
2019-04-06 23:41:48 -04:00
3b43fc3ea7
install msi2lmp force field files and set environment variable, so they can be found automatically
2019-04-06 20:41:00 -04:00
b25657c67b
trigger download by default if not found for LATTE package/library
2019-04-06 17:49:56 -04:00
72b69783de
add download-default-if-not-found logic to voro++ library for VORONOI package
2019-04-06 17:17:17 -04:00
59a4d42231
make default CMake setting for DOWNLOAD_KIM depend on whether the KIM API is found or not
2019-04-06 16:47:48 -04:00
9334c72c04
clang can be installed supporting OpenMP without having omp.h installed: add check
2019-04-06 08:59:06 -04:00
f10534a721
add code to build msi2lmp with CMake
2019-04-05 23:56:23 -04:00
c52a330a79
update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script
2019-04-04 14:19:53 -04:00
7372e8fde1
must add STUBS_MPI to cslib includes when compiling without MPI
2019-04-03 00:41:03 -04:00
6411ff8359
transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration
2019-04-02 17:25:26 -04:00
