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lammps
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58 Commits

Author SHA1 Message Date
Axel Kohlmeyer 125ae33ccf
convert plugin functionality into a package 2021-03-16 23:00:16 -04:00
Axel Kohlmeyer e6d8209b9d
use new intel LLVM based fortran compiler as well 2021-03-15 00:06:58 -04:00
Axel Kohlmeyer ec2be3f8bc
add preset for Intel's new oneAPI LLVM based compiler 2021-03-13 13:07:25 -05:00
Axel Kohlmeyer f7dc7e3f3f
add preset for use with PGI compilers (tested with version 20.11) 2020-12-15 14:31:40 -05:00
Axel Kohlmeyer 7297ed3115
apply stack-protector fix required by newer versions of MinGW, e.g. on Fedora 33 2020-10-19 21:59:27 -04:00
Axel Kohlmeyer 00e1edfae9
add a preset for selecting gcc compilers (for cases where they are not the default) 2020-10-14 04:51:34 -04:00
Axel Kohlmeyer 338b05d9dd
set only build type specific compiler flags, so using -DCMAKE_CXX_FLAGS will work as expected 2020-10-13 12:00:03 -04:00
Axel Kohlmeyer 3e74e03bbb
update all_on/all_off presets to really include all packages 2020-10-04 16:46:29 -04:00
Axel Kohlmeyer fdbdd26585
include intel fortran compiler into intel cmake preset 2020-09-26 22:30:21 -04:00
Axel Kohlmeyer 2e48ea8680
include MLIAP package in cross-compiler builds 2020-06-23 07:11:30 -04:00
Axel Kohlmeyer 75114afc0e
integrate MLIAP package into CMake procedure 2020-06-22 11:24:44 -04:00
Axel Kohlmeyer 0ca7270668
re-enable USER-MESONT package for MinGW cross compilation 2020-06-15 13:47:16 -04:00
Axel Kohlmeyer 9aee8d41bd
Merge branch 'master' into collected-small-changes 2020-06-15 12:12:45 -04:00
Axel Kohlmeyer 57eab1f785
USER-MESONT fails to download with Win64 for some strange reason. disabling from mingw preset for now 2020-06-15 11:12:55 -04:00
Axel Kohlmeyer b3a99f3165
add and document new "download" preset 2020-06-14 19:50:14 -04:00
iafoss 4868f5fdfc update 2020-05-20 22:04:00 -04:00
Axel Kohlmeyer 61284891ee
add a few more packages to the "most" preset 2020-05-03 05:04:07 -04:00
Axel Kohlmeyer d931365e4e
fix typos 2020-04-28 01:11:54 -04:00
Axel Kohlmeyer d3017744a9
updates for building with hip 2020-04-28 00:39:11 -04:00
Axel Kohlmeyer dd5ebb0a81
add preset to compile with hcc 2020-04-27 22:30:17 -04:00
Axel Kohlmeyer 9bf31a66fd
select compute capability 5.0 as default for Kokkos+CUDA preset. 2020-04-10 22:28:21 -04:00
Axel Kohlmeyer df2ddcc98a
provide 3 presets for KOKKOS compilation: serial, openmp, cuda 2020-04-10 12:16:56 -04:00
Axel Kohlmeyer 4e0eb0c501
no more need to set compiler flags for intel compiler in preset 2020-04-03 21:24:45 -04:00
Axel Kohlmeyer 8bcdc86d0f
properly pass --enable-stdcall-fixup when linking on windows with mingw cross-compiler 2020-04-03 10:16:20 -04:00
Axel Kohlmeyer 9397a763e2
tweak MinGW preset settings to reduce linker warnings 2020-03-19 16:45:22 -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 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 b692da3b01
include building tools in "most" preset 2020-03-17 00:57:30 -04:00
Axel Kohlmeyer d2986b7495
update CMake presets 2020-03-09 11:04:26 -04:00
Axel Kohlmeyer 980ef8095a
include USER-REACTION in "most" preset 2020-03-05 22:57:17 -05:00
Axel Kohlmeyer 68adc56e93
Merge branch 'master' into fix-compiler-warnings 2019-10-17 06:03:59 -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
Axel Kohlmeyer 28c9255f99
don't include USER-PLUMED in "most" preset 2019-10-14 08:02:59 -04:00
Axel Kohlmeyer 3ef93d6e1b
cannot forced enable FFMpeg and gzip on windows yet. 2019-08-05 16:59:18 -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
Axel Kohlmeyer 9334c72c04
clang can be installed supporting OpenMP without having omp.h installed: add check 2019-04-06 08:59:06 -04:00
Axel Kohlmeyer d17553d8d2
add preset to make it easier to use clang with OpenMP and MPI 2019-04-05 16:52:28 -04:00
Axel Kohlmeyer a149fdb420
forgot MESSAGE package in all_on/off.cmake preset 2019-04-02 23:19:37 -04:00
Axel Kohlmeyer b1070f4703
must add USER-SCAFACOS to nolib.cmake preset, as it requires GSL 2019-04-02 23:10:59 -04:00
Axel Kohlmeyer 5a75125426
add some popular packages requiring libraries to most.cmake preset 2019-04-02 14:30:34 -04:00
Axel Kohlmeyer cb5c3f900e
add minimal.cmake and most.cmake presets 2019-04-02 12:41:12 -04:00
Axel Kohlmeyer 74ce164457
restore lost edit to all_on.cmake and all_off.cmake that syncs the list of packages 2019-04-02 12:06:51 -04:00
Axel Kohlmeyer ef184c9b1b
remove presets, that try to mimic settings from the conventional build, but make little sense with cmake 2019-04-02 09:34:03 -04:00
Axel Kohlmeyer c044eeb482
update nolib.cmake and change it so it disables all packages requiring some external library or equivalent 2019-04-01 22:23:36 -04:00
Axel Kohlmeyer 2fc7395c14
add some comments to updated all-on / all-off presets 2019-04-01 22:22:31 -04:00
Axel Kohlmeyer b1badb6555
update all-on and all-off presets for recently added and removed packages 2019-04-01 22:09:58 -04:00
Axel Kohlmeyer 200aa2d06f
missed a few packages in cross-compiler preset 2019-04-01 18:50:53 -04:00