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Longbow v1.5.2

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@jimboid jimboid released this 28 Sep 14:49
· 35 commits to master since this release
v1.5.2
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Learn about vigilant mode.

The changes in this release are summarised below:

  1. Bug fix - OMP environment variable added to all schedulers to fix a specific
    set of user reported issues (issue #114).

  2. Bug fix - Further PBS and NAMD SMP issues relating to under subscription,
    users had to do a hacky way by dropping the corespernode parameter to under
    subscribe which resulted in errors from the scheduler. Now users wishing to
    do this should set mpiprocs in their job or host conf files to do this (issue #105).

  3. Bug fix - The memory parameter only worked with the PBS scheduler, this has
    now been extended to work in all schedulers (issue #98).

  4. Bug fix - The --maxtime parameter went missing from the --help output (issue #96).

  5. Doc fix - The documentation for the recovery mode was incorrect (issue #102).

  6. New feature - An update mode has been added so that users doing
    disconnectable sessions can simply run an update to get the current
    simulation status and download a snapshot of the data (issue #61).

  7. New feature - Move documentation to be under version control, using sphinx
    and readthedocs for auto documentation assembly. Documentation can then
    become part of the CI cycle and thus be enforced on code contribution (issue #90).

  8. Enhancement - users can now explicitly set the filenames of stderr and
    stdout from the scheduler script using the parameters "stdout = filename"
    and "stderr = filename" in their host of job conf files (issue #108).

  9. Enhancement - Users can now make use of existing job scripts, by providing
    the name of the script to the parameter "subfile" in their host or job conf
    files. This mode is mainly aimed at advanced users that understand the short
    falls of doing this and the problems that could occur (issue #77).

  10. Enhancement - Users can now set the naming scheme of the replicate
    directories. Instead of having to provide directories of the form
    rep1, rep2, ...., repx. Users can now set the name of the "rep" part by
    setting the "replicate-naming" parameter. So "replicate-naming = foo"
    would need directories named foo1, foo2, ...., foox (issue #92).

  11. Enhancement - Documentation for the examples have been cleaned up and added
    to the new sphinx docs (issue #10).

  12. Enhancement - Refactor the exception code in the top level API methods to
    remove duplication (issue #44).

  13. Removed support for Python versions 2.6, 3.2 and 3.3 due to these versions
    being old unsupported versions and various python packages such as
    pip/ci-tools withdrawing support. Longbow may still work for these versions
    but this is no longer guaranteed (issue #113).

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