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75d0a5098f
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use -Og for Debug config for better warnings and debug experience
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2022-01-29 17:06:30 -05:00 |
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461a7afc22
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remove PYTHON from "most" cmake preset.
The PYTHON package cannot be compiled without the python development
support being installed, so it must not be in the "most" preset
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2021-11-04 15:24:41 -04:00 |
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d5b3ea263b
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awpmd requires blas, mgpt is not portable
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2021-10-07 15:45:14 -04:00 |
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5d5cc0ac55
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preset with packages that build natively on windows with visual c++
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2021-10-07 15:31:26 -04:00 |
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f5fa892ec8
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Merge pull request #2916 from rbberger/rocm_updates
Updates to support ROCm 4.3 in GPU package
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2021-09-22 16:23:19 -04:00 |
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3046c9ca93
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include EXTRA-DUMP in "most"
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2021-09-16 23:01:42 -04:00 |
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8db2d64f11
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Updates to support ROCm 4.3 in GPU package
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2021-08-31 17:56:01 -04:00 |
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6b243845c0
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update HIP preset for CMake
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2021-08-31 15:11:37 -04:00 |
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fe4ec9d1ea
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select Fortran 2003 as standard for compiling bundled Fortran code
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2021-08-25 23:36:12 -04:00 |
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852f18525d
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complete moving packages and styles around
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2021-07-23 18:11:25 -04:00 |
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46d5d9724a
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move interlayer potentials to their own package
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2021-07-07 15:52:53 -04:00 |
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58196d57f1
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New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
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2021-07-01 00:51:55 -04:00 |
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88c8d1a3c6
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rename "minimal" preset to "basic"
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2021-06-30 20:39:17 -04:00 |
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d47f2aca53
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recover compilation with CMake
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2021-06-29 22:18:27 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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2d4bb8f38c
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rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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2021-06-29 19:45:38 -04:00 |
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8e185a1a12
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rename USER-DPD to DPD-REACT
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2021-06-29 19:41:23 -04:00 |
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6ceedb62be
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rename USER-REAXC to REAXFF
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2021-06-29 19:37:55 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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8bf6805e1d
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rename USER-LB to LATBOLTZ
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2021-06-29 17:07:14 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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995195606e
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rename USER-RANN to ML-RANN
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2021-06-29 16:32:06 -04:00 |
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d52cd88492
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rename USER-QUIP to ML-QUIP
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2021-06-29 15:55:41 -04:00 |
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fd24820603
|
rename USER-PACE to ML-PACE
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2021-06-29 15:45:50 -04:00 |
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031e537d3f
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rename USER-HDNNP to ML-HDNNP
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2021-06-29 15:38:45 -04:00 |
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efaec31a84
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rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
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2021-06-29 15:28:27 -04:00 |
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e482502691
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rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
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2021-06-29 11:06:59 -04:00 |
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28fa06b298
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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 |
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af802d18d1
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update gcc preset to include gfortran
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2021-06-17 13:33:33 -04:00 |
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55c2d51476
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better support for newer compilers. prefer flang with clang
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2021-06-12 21:19:05 -04:00 |
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22c391e603
|
add new package to presets
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2021-06-05 15:57:47 -04:00 |
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bd1c5592ab
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Merge pull request #2784 from akohlmey/set-python-home
Internally set PYTHONHOME for LAMMPS on Windows
|
2021-05-27 16:45:34 -04:00 |
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89058e8712
|
skip bundling GPLv3 lib
|
2021-05-27 15:05:27 -04:00 |
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012003c68a
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Merge branch 'master' into pair_rann
# Conflicts:
# cmake/CMakeLists.txt
# cmake/presets/all_off.cmake
# cmake/presets/all_on.cmake
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2021-05-26 15:17:30 -04:00 |
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c6bf768826
|
update list of packages included with cross-compilation
|
2021-05-25 16:56:41 -04:00 |
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dca509a5d8
|
update the all on/off CMake presets
|
2021-05-24 14:43:13 -04:00 |
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a50c980595
|
Merge branch 'master' into pair-style-nnp
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2021-05-24 12:08:45 -04:00 |
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d2fe5e6ec8
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include compiler optimization with certain build types when using presets
|
2021-05-22 18:35:56 -04:00 |
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3083756a64
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include USER-HDNNP in MinGW64 cross-compilation build
|
2021-05-22 08:03:29 -04:00 |
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10961b8cb6
|
update to upstream
|
2021-05-21 16:15:31 -04:00 |
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31a55f1f76
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-05-16 22:54:29 +02:00 |
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e4a24445c4
|
include USER-PACE in Windows package
|
2021-05-15 22:17:10 -04:00 |
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8062323b93
|
update presets to reflect recently added packages
|
2021-05-15 10:19:01 -04:00 |
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632e0d6a52
|
add USER-BROWNIAN package to various package management files
|
2021-05-11 17:59:02 -04:00 |
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95285f9365
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-04-26 23:52:59 +02:00 |
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b4efeb977d
|
update and sort lists of packages for different presets and categories
|
2021-04-21 22:00:06 -04:00 |
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56be6d8ec2
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-04-20 23:20:14 +02:00 |
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7b9dfb296d
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Renamed pair style, user package: nnp => hdnnp
|
2021-04-01 00:35:17 +02:00 |
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6dfd475175
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-03-31 23:24:11 +02:00 |
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