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  1. Nov 20, 2018
    • Giovanni Bussi's avatar
      Made python wrapper self-contained · feb3fb9c
      Giovanni Bussi authored
      It does not link to library anymore, but just includes Plumed.h file.
      It thus could be compiled with different compilers and flags wrt plumed.
      
      Notice that as of PLUMED 2.5 Plumed.h also contains the full implementation
      of the dynamic loader, so it is sufficient to define the proper cpp
      flags in order to recompile the loader and avoiding the need to link
      plumedWrapper.a.
      
      This basically allows the python wrapper to be selfcontained and installable
      before having installed plumed.
      feb3fb9c
  2. Sep 20, 2017
    • Giovanni Bussi's avatar
      Passing variables to python build · 0b68f476
      Giovanni Bussi authored
      Variables are passed as environment variables from Makefile,
      where they can be constructed using Makefile variables.
      
      This solves some problems I had with python2.7 not able to parse
      correctly the Makefile.conf file. In addition, it looks like correct
      directories are used also when plumed is already installed.
      
      Also notice that the plumed executable is now only invoked
      to retrieve the version number and that it is invoked with the
      correct path, so that a previously installed plumed will
      not be in the way.
      0b68f476
    • Giovanni Bussi's avatar
      Fixed non ASCII character · c6e36f4f
      Giovanni Bussi authored
      It was giving troubles on my mac with py2.7
      c6e36f4f
  3. Sep 16, 2017
    • Gareth Tribello's avatar
      Python interface (#262) · 98650e1b
      Gareth Tribello authored
      * Added first working python interface
      
      * Tidied up python interface
      
      * Further simplification of python
      
      * Added example which should be deleted later
      
      * Added functions for getting values from plumed to python
      
      * Added regression test for python interface
      
      * Added mechanism to return exceptions from plumed to python
      
      * First commit of experimental stuff to catch exceptions in python correctly
      
      * Got rid of unecessarily duplicated method in PlumedMain
      
      * Fixed crazy MAC input encoding
      
      * Oops, had also broken the script..
      
      * Removed debug messages. Works on Ubuntu Linux
      
      Linus rules. Apple sucks.
      
      * Fixed PlumedMain passing of data from plumed to outside code
      
      * Hard coded real precision for python interface - this should have been with the last commit
      
      * Added first go at working makefile for python interface
      
      * Added options to configure to build python interface from makefile
      
      * Small changes to where loading of python interface is done
      
      * Removed unecessary wrapper c++ function from python interface
      
      * Made python install work in a way that is consistent with the rest of plumed
      
      * Added pythonpath to travis.yml
      
      * Added installation of Cython to travis.yml
      
      * Added ifdef block to stop cppcheck throwing an error
      
      * Using uniqu_ptr for DataFetching object in PlumedMain
      
      * Added install command for numpy to travis
      
      * Added string to tell me whether plumed+python is being built
      
      * Small change in travis.yml file to see if I can get python compile working
      
      * Compilers for cython are now specified from Makefile.conf
      
      * Now printing stuff on environment to try to work out why linking doesn't work
      
      * A new attempt to fix the travis-ci issues
      
      * Got rid of troubling TRAVIS_PYTHON_FLAG
      
      * Small change to see if we can get this to work on travis
      
      * Now setting LDSHARED from LDSO in makefile
      
      * Added something to print everything in the python path when we run the python test
      
      * Fixed python path in travis.yml
      
      * Removed stuff for debugging configuration on travis
      
      * Customized conda install (for python) in travis.yml so that osx version is installed for osx and linux version is installed for linux
      
      * Set TMPDIR in .travis.yml to hopefully get osx to compile PLUMED + Python
      
      * Made it so that python interface is rebuilt when user does make install so that correct paths are used
      
      * Made it so that python interface is rebuilt in staging area during install procedure
      
      * Corrected regtest script so that python tests are dealt with the same as everything else
      98650e1b
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