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de89a25a25
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final CMake sync with upstream
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2023-01-11 05:03:00 -05:00 |
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c19641f8b3
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synchronize CMake scripting with upstream
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2023-01-11 01:04:32 -05:00 |
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8a3f7560c9
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drop special OpenMP flags from presets. Will be detected by FindOpenMP.
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2022-10-26 22:46:21 -04:00 |
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b0d2cc3052
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we can build a plugin instead
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2022-06-04 19:23:32 -04:00 |
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f68247ad6a
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add ML-PACE and PLUGIN packages to be compiled with MinGW cross-compilers
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2022-06-03 05:10:00 -04:00 |
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4c36c79652
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remove feature for automatic jpeg/png/zlib library download and build
this is a post-stable feature and would require a general rewrite of offline processing
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2022-05-28 15:20:22 -04:00 |
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d905d3fbf5
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reorganize build settings and presets
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2022-05-22 17:46:12 -04:00 |
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c16f40eb7c
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don't enable OpenMP together with CUDA for KOKKOS by default
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2022-05-18 12:23:38 -04:00 |
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ba0efbef31
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include presets for intel compiler names on windows
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2022-05-18 09:13:37 -04:00 |
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326b833d7f
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(temporarily) disable Kokkos deprecation warnings in CMake presets in preparation for stable release
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2022-05-17 06:02:50 -04:00 |
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59560c47a7
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Small tweak
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2022-05-13 14:23:27 -04:00 |
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66abc00e3c
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Add comment about MPI on Crusher
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2022-05-13 13:33:27 -04:00 |
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81a8b0cf85
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Add Kokkos HIP preset
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2022-05-06 12:40:12 -06:00 |
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cac9fcaf86
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cannot build ELECTRODE package by default on native windows because it requires BLAS
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2022-04-29 20:18:50 -04:00 |
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7aaa71d22e
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Merge remote-tracking branch 'lammps/develop' into electrode
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2022-04-26 10:29:39 +02:00 |
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38093ffe47
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KOKKOS doesn't require nvcc_wrapper anymore when compiling with CMake
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2022-04-20 18:13:42 -04:00 |
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c62e2ad4d1
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disable warnings with PGI/NVHPC compilers and import CMAKE_TUNE_FLAGS
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2022-04-20 17:39:33 -04:00 |
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49aebf64b9
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include BPM package in multiple presets
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2022-04-11 12:41:28 -04:00 |
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177f9cabc1
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add ELECTRODE package to suitable presets
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2022-04-09 18:19:55 -04:00 |
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521d45dcc6
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remove MESSAGE package from CMake
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2022-04-08 18:00:36 -04:00 |
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29ada4e263
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Update description header
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2022-03-25 11:19:59 +00:00 |
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2ae448d9d0
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Add kokkos-sycl.cmake & relevant compiler flags
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2022-03-25 11:05:09 +00:00 |
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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
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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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