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Collected small changes for the next patch release #1361

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merged 8 commits into from Mar 8, 2019

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@akohlmey
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akohlmey commented Mar 6, 2019

Summary

This pull request combines multiple small changes and bugfixes

Related Issues

implements a suggestion from the discussion of #1357
fixes #1362

Author(s)

Axel Kohlmeyer (Temple U)

Licensing

By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

Backward Compatibility

yes.

Implementation Notes

The following individual changes are implemented:

  • fix a formatting issue in the pull request template
  • use a simpler detection heuristic for whether the sources are a local git checkout
  • fix a memory leak in fix bocs
  • stop with an error message instead of a segmentation fault when using group command options that access unavailable atom attributes.

Post Submission Checklist

Please check the fields below as they are completed after the pull request has been submitted

  • The feature or features in this pull request is complete
  • Licensing information is complete
  • Corresponding author information is complete
  • The source code follows the LAMMPS formatting guidelines
  • Suitable new documentation files and/or updates to the existing docs are included
  • The added/updated documentation is integrated and tested with the documentation build system
  • The feature has been verified to work with the conventional build system
  • The feature has been verified to work with the CMake based build system
  • A package specific README file has been included or updated
  • One or more example input decks are included

Further Information, Files, and Links

Put any additional information here, attach relevant text or image files, and URLs to external sites (e.g. DOIs or webpages)

akohlmey added some commits Mar 6, 2019

if(GIT_FOUND)
execute_process(COMMAND ${GIT_EXECUTABLE} describe HEAD
RESULT_VARIABLE temp_in_git_checkout
if(GIT_FOUND AND EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/../.git)

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junghans Mar 6, 2019

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The other option and maybe the safer one would be to do ${GIT_EXECUTABLE} -C ${CMAKE_CURRENT_SOURCE_DIR}/../.git everywhere.

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junghans Mar 6, 2019

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In case you were wondering of using IS_DIRECTORY instead of EXISTS, this was on purpose, as git submodules only have .git file not a directory. And lammps is used as a submodule e.g. in: https://gitlab.com/exaalt/exaalt

akohlmey added some commits Mar 6, 2019

@akohlmey akohlmey added the bugfix label Mar 7, 2019

@akohlmey akohlmey requested review from rbberger, stanmoore1 and sjplimp Mar 8, 2019

@akohlmey akohlmey marked this pull request as ready for review Mar 8, 2019

@akohlmey akohlmey requested a review from junghans Mar 8, 2019

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stanmoore1 left a comment

OK

@akohlmey akohlmey merged commit c3acb3e into lammps:master Mar 8, 2019

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@akohlmey akohlmey deleted the akohlmey:collected-small-changes branch Mar 8, 2019

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