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Collected small changes and fixes for the next patch release #1518

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merged 11 commits into from Jun 18, 2019

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commented Jun 17, 2019

Summary

This pull request collects multiple small changes and bug fixes for the next patch release

Related Issues

This closes #1515
This closes #1521
This closes #1523

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

No known compatibility issues.

Implementation Notes

The following individual changes are included in this pull request:

  • update to CMake configuration to disallow settings not compatible with the 'ninja' build tool
  • silence valgrind warning by fully initializing line buffer for thermo output
  • fix small memory leak in fix lb/fluid due to custom MPI data types (as reported on lammps-users)
  • flag that the computes in the USER-TALLY package are incompatible with dynamic groups
  • update example input and output for pair style kolmogorov/crespi/full as reported in issue #1515
  • add a flag/option BUILD_TOOLS to CMake, to enable/disable building executables from the tools folder (e.g. msi2lmp and chain.x). the flag is off by default.
  • workaround for ICE with GCC 4.8.x suggested by Stan Moore

Post Submission Checklist

  • 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
  • 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

akohlmey added some commits Jun 17, 2019

akohlmey added some commits Jun 17, 2019

adapt for Ninja build tool, which cannot handle sub-builds and fortran
so builds of downloaded libraries are not supported right now

@akohlmey akohlmey marked this pull request as ready for review Jun 18, 2019

@akohlmey akohlmey requested review from junghans, rbberger and sjplimp as code owners Jun 18, 2019

@akohlmey akohlmey requested review from stanmoore1 and athomps Jun 18, 2019

@sjplimp
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ok

akohlmey added some commits Jun 18, 2019

@akohlmey akohlmey merged commit e754fb8 into lammps:master Jun 18, 2019

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@akohlmey akohlmey deleted the akohlmey:collected-small-changes branch Jun 18, 2019

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