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78d1c8bc7e
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USER-MOLFILE depends on CMAKE_DL_LIBS when not compiling on Windows
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2021-06-27 14:39:53 -04:00 |
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55dc5216a0
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Revert "update googletest"
googletest compilation breaks on CentOS7 with native compilers
thus we are going back to version 1.10 (for now).
This reverts commit c6d950d35e.
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2021-06-21 16:36:24 -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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c6d950d35e
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update googletest
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2021-06-12 13:10:56 -04:00 |
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b524a0b819
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correctly remove dependent sources for fix QEQ
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2021-06-06 18:25:16 -04:00 |
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5599deae0a
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quick-fix to compile plumed-2.7.1 with newer GCC and Clang compilers
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2021-06-03 19:47:32 -04:00 |
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f3ba2d07f8
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prefer GNU make (aka gmake) over plain "make", to avoid compilation failures
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2021-06-02 15:14:37 -04:00 |
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0895abaa74
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Update Kokkos CMake file
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2021-05-27 10:40:31 -06:00 |
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04defbf49c
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-05-25 18:57:34 -04:00 |
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9e1db61b41
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Merge branch 'master' into pair-style-nnp
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2021-05-25 16:44:55 -04:00 |
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bc063f2e88
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make formatting of if statements and string comparisons consistent
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2021-05-25 15:06:08 -04:00 |
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9bafefb4df
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Merge branch 'master' into update-homepage-url
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2021-05-24 14:05:04 -04:00 |
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a50c980595
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Merge branch 'master' into pair-style-nnp
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2021-05-24 12:08:45 -04:00 |
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0b538b1922
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add tool to fix LAMMPS homepage URLs
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2021-05-23 19:49:32 -04:00 |
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ba854ec7c3
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changes required to cross-compile unit tests for windows
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2021-05-23 01:46:14 -04:00 |
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6a41109cde
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work around compatibility issues with MPI and classic intel compilers
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2021-05-22 18:30:25 -04:00 |
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47507de276
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libn2p2 uses M_PI which is non-standard and thus requires -std=gnu++11 with newer MinGW
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2021-05-22 16:26:36 -04:00 |
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6fe5c338a8
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add comments to document USER-HDNNP cmake scripting
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2021-05-22 11:54:35 -04:00 |
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076412b7ac
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allow compiler specific ar
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2021-05-22 11:35:40 -04:00 |
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8b76f6ac63
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disable debug settings and pass platform "ar" program
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2021-05-22 11:28:06 -04:00 |
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42ef13bc06
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enable C++11 for compiling N2P2 lib with PGI
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2021-05-22 11:19:54 -04:00 |
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14cb45c161
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xcode compiler may be reported as AppleClang instead of Clang
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2021-05-22 10:40:55 -04:00 |
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5e2b97812e
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update sed command for BSD sed which doesn't like multiple -e options
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2021-05-22 10:33:06 -04:00 |
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450503cc42
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pass C++ standard setting flag to N2P2 make (needed for macOS' xcode)
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2021-05-22 10:30:38 -04:00 |
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95427b1fda
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add support for building with Windows including cross-compilation and MPI-2
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2021-05-22 07:43:54 -04:00 |
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c0b25853cf
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more cmake tweaks
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2021-05-21 17:12:11 -04:00 |
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a9dfecc27f
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regularize automatic download build for n2p2 library with CMake
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2021-05-21 16:16:01 -04:00 |
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10961b8cb6
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update to upstream
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2021-05-21 16:15:31 -04:00 |
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9cf8f96838
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Fixed bug, changed build docs
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2021-05-17 00:39:06 +02:00 |
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31a55f1f76
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-05-16 22:54:29 +02:00 |
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333f0c0c2a
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simplify some more
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2021-05-15 23:01:59 -04:00 |
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017643cfa8
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address various issues in USER-MDI.cmake for downloaded MDI library
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2021-05-15 21:41:45 -04:00 |
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e04f4dde17
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work around use of non-standard M_PI define in PACE external library
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2021-05-15 16:39:59 -04:00 |
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9cfe665b7a
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bugfix
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2021-05-13 11:34:28 -04:00 |
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d9505a4527
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cmake tweaks
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2021-05-13 08:57:41 -04:00 |
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74db24110f
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Fix bug when using mdi_engine command in parallel
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2021-05-12 18:31:10 -04:00 |
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eacfe05e0f
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Fix bug in MDI cmake build
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2021-05-12 18:31:10 -04:00 |
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43935724ba
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Fix bugs in MDI cmake config
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2021-05-12 18:31:10 -04:00 |
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b21479e20a
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Added initial MolSSI Driver interface
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2021-05-12 18:31:10 -04:00 |
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dfb15e76c3
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Merge branch 'master' of https://github.com/lammps/lammps into kk_update_3.4.0
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2021-05-12 08:14:03 -06:00 |
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69d081cd6a
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prefer system provided OpenCL library on macOS
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2021-05-07 09:28:13 -04:00 |
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8cf2cd5875
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update for 32-bit MinGW64 compatibility
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2021-05-03 11:38:41 -04:00 |
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37cd51f3e4
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tar file was updated one more time
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2021-05-02 23:30:02 -04:00 |
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7e04c6933d
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update opencl-loader library to be compatible with mingw 8 and later
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2021-05-02 22:04:27 -04:00 |
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b4a70880d9
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Merge pull request #2745 from rbberger/gpu_updates
Updates to the GPU package
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2021-04-30 19:32:44 -04:00 |
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17242550c1
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Update comment
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2021-04-30 17:09:48 -04:00 |
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d8220e2773
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CMake: Rebuild OpenCL kernel headers when code changes
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2021-04-30 17:04:12 -04:00 |
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8b13d75e7f
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update OpenCL loader library to the 3.0.7 specs
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2021-04-30 09:28:56 -04:00 |
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ceb173135b
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Merge pull request #2737 from ab5424/patch
Update USER-INTEL.cmake
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2021-04-27 22:32:30 -04:00 |
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6375b91bd7
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Update USER-INTEL.cmake
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2021-04-27 17:13:03 +02:00 |
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