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  1. Nov 30, 2018
  2. Nov 29, 2018
  3. Nov 28, 2018
  4. Nov 27, 2018
    • Giovanni Bussi's avatar
      Added py-plumed in MacPorts · d5ddc81a
      Giovanni Bussi authored
      I made a few more changes to setup.py in order to work with MacPorts.
      This allowed me to add a temporary Portfile for py-plumed
      that is now used in travis tests.
      
      The plan is to submit this Portfile to MacPorts after we release v2.5
      
      Notice that one test is duplicated (python/test) in order to be available
      when using nosetests from python.
      d5ddc81a
  5. Nov 26, 2018
  6. Nov 25, 2018
  7. Nov 23, 2018
  8. Nov 22, 2018
  9. Nov 20, 2018
  10. Nov 19, 2018
  11. Nov 18, 2018
  12. Nov 17, 2018
    • Giovanni Bussi's avatar
      Completed exception mapping. · 8f970ae6
      Giovanni Bussi authored
      Now every exception thrown within PLUMED is remapped in the wrapper.
      
      In particular:
      - All standard C++ exceptions are remapped to equivalent ones.
      - PLUMED exceptions and lepton exceptions are remapped to ad hoc classes.
      - Any other exception derived from std::exception is mapped to std::exception.
      - Any other exception is rethrown after printing a warning.
      8f970ae6
  13. Nov 14, 2018
  14. Nov 13, 2018
    • Giovanni Bussi's avatar
      astyle · 2d5f098e
      Giovanni Bussi authored
      2d5f098e
    • Giovanni Bussi's avatar
      Small consistency fix in wrapper · 164eb8d3
      Giovanni Bussi authored
      I changed Plumed::invalid() to Plumed::makeInvalid() and added a new function
      Plumed::makeValid(). These names are more inline with stdlib names
      (e.g. make_shared), though with our conventions for capitalization.
      
      Hopefully there's no code yet using this (beta) interface.
      
      In addition, I made it possible to use a macro to change the behavior
      of the default constructor to makeInvalid(). This might be
      useful in python wrappers to avoid opening the library twice
      (python objects always use the "nullary" - default - constructor first).
      164eb8d3
  15. Nov 12, 2018
    • Giovanni Bussi's avatar
      Using C++ interface in python · c4303330
      Giovanni Bussi authored
      I think python should use the C++ interface rather than the C one.
      The reason is that the C++ interface included in PLUMED 2.5
      rethrows exceptions and thus can be used to load
      a shared library compiled with a different compiler or
      linked against a different standard library.
      
      In perspective, this will allow compiling PLUMED with
      a different compiler/library than that used to compile
      python itself.
      c4303330
  16. Nov 10, 2018
  17. Nov 09, 2018
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