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The mmtk module that MDANSE depends upon is only available for python 2 (e.g. see the documentation here:http://dirac.cnrs-orleans.fr/MMTK.html). investigate and document what is required to remove this dependency and create separate issues for any parts of the MDANSE code that need to be updated/changed.
A separate issue (#6) exists to investigate what would be required to move from a custom version of mmtk provided by the ILL to the standard version of the modules; such a move might be deemed pointless depending of the outcome of this investigation.
The text was updated successfully, but these errors were encountered:
MMTK.Units is a collection of constants and should run without any issues with python 3. Therefore, the file can be copied to Externals/ as-is, or the relevant constants can be defined in the MDANSE file that needs them. Either way, the following file will have to be edited:
The main problem with removing MMTK entirely is how to replace the in-memory representations of MD data. This is the primary usage of MMTK in MDANSE and coding it from scratch is essentially writing a new package in addition to altering all the affected MDANSE code (as documented in issue #6 ). Indeed, there exist multiple packages that serve this role. The replacement of MMTK with some of these has been investigated in issues #13 (MDAnalysis) and #14 (Mosaic). Using these seems like a much more reasonable way of removing MMTK than writing its functionality anew.
The
mmtk
module that MDANSE depends upon is only available for python 2 (e.g. see the documentation here:http://dirac.cnrs-orleans.fr/MMTK.html). investigate and document what is required to remove this dependency and create separate issues for any parts of the MDANSE code that need to be updated/changed.A separate issue (#6) exists to investigate what would be required to move from a custom version of
mmtk
provided by the ILL to the standard version of the modules; such a move might be deemed pointless depending of the outcome of this investigation.The text was updated successfully, but these errors were encountered: