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81 Commits

Author SHA1 Message Date
Axel Kohlmeyer 28fa06b298
turn off extra warnings with gcc.cmake preset and introduce a pedantic preset 
the pedantic preset turns warnings about variable length arrays to errors
 2021-06-21 16:57:05 -04:00
Axel Kohlmeyer af802d18d1
update gcc preset to include gfortran 2021-06-17 13:33:33 -04:00
Axel Kohlmeyer 55c2d51476
better support for newer compilers. prefer flang with clang 2021-06-12 21:19:05 -04:00
Axel Kohlmeyer 22c391e603
add new package to presets 2021-06-05 15:57:47 -04:00
Axel Kohlmeyer bd1c5592ab
Merge pull request #2784 from akohlmey/set-python-home 
Internally set PYTHONHOME for LAMMPS on Windows
 2021-05-27 16:45:34 -04:00
Axel Kohlmeyer 89058e8712
skip bundling GPLv3 lib 2021-05-27 15:05:27 -04:00
Axel Kohlmeyer 012003c68a
Merge branch 'master' into pair_rann 
# Conflicts:
#	cmake/CMakeLists.txt
#	cmake/presets/all_off.cmake
#	cmake/presets/all_on.cmake
 2021-05-26 15:17:30 -04:00
Axel Kohlmeyer c6bf768826
update list of packages included with cross-compilation 2021-05-25 16:56:41 -04:00
Axel Kohlmeyer dca509a5d8
update the all on/off CMake presets 2021-05-24 14:43:13 -04:00
Axel Kohlmeyer a50c980595
Merge branch 'master' into pair-style-nnp 2021-05-24 12:08:45 -04:00
Axel Kohlmeyer d2fe5e6ec8
include compiler optimization with certain build types when using presets 2021-05-22 18:35:56 -04:00
Axel Kohlmeyer 3083756a64
include USER-HDNNP in MinGW64 cross-compilation build 2021-05-22 08:03:29 -04:00
Axel Kohlmeyer 10961b8cb6
update to upstream 2021-05-21 16:15:31 -04:00
Andreas Singraber 31a55f1f76 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-05-16 22:54:29 +02:00
Axel Kohlmeyer e4a24445c4
include USER-PACE in Windows package 2021-05-15 22:17:10 -04:00
Axel Kohlmeyer 8062323b93
update presets to reflect recently added packages 2021-05-15 10:19:01 -04:00
Axel Kohlmeyer 632e0d6a52
add USER-BROWNIAN package to various package management files 2021-05-11 17:59:02 -04:00
Andreas Singraber 95285f9365 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-04-26 23:52:59 +02:00
Axel Kohlmeyer b4efeb977d
update and sort lists of packages for different presets and categories 2021-04-21 22:00:06 -04:00
Andreas Singraber 56be6d8ec2 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-04-20 23:20:14 +02:00
Andreas Singraber 7b9dfb296d Renamed pair style, user package: nnp => hdnnp 2021-04-01 00:35:17 +02:00
Andreas Singraber 6dfd475175 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-03-31 23:24:11 +02:00
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
Andreas Singraber 6dbb0230c2 Updated documentation, cleaned source 2021-02-22 22:57:45 +01:00
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