Closed GoogleCodeExporter closed 9 years ago
Ideally we would something like the MDAnalysis-X.Y.Z package that contains the
code (including the test cases under MDAnalysis/tests because they need to be
in sync with the rest of the code) and MDAnalysis-testdata-X.Y.Z.
Come considerations below --- comments are very much appreciated!!
- I think that the testdata package should have the same release number as the
main package that it was last updated for. As long as there is not a newer
testdata package one uses the one with the highest release number and it should
work.
In this hypothetical example below, testdata-0.7.4 does not change until 0.8.0
and is used throughout the remainder of the 0.7.x releases:
MDAnalysis 0.7.4 0.7.5 0.7.6 0.7.7 0.8.0
testdata 0.7.4-------------------0.7.4 0.8.0
- Ideally I would have the testdata package install the trajectories etc in the
same place as where we have them right now (MDAnalysis/tests/data) although we
could probably live with another place by changing paths in tests/datafiles.py
or making datafiles part of the testdata package.
- Python name for the package? MDAnalysisData?
- Is there a way to build two python packages from a single source tree (using
setuptools or another system) or do I have to make a separate SVN branch and we
essentially maintain two packages?
Original comment by orbeckst
on 29 Jul 2011 at 5:55
Split off a branch MDAnalysisTestData at r860. It builds a separate package
(named MDAnalysisTestData ...) that contains the trajectories required for
UnitTests. From 0.7.4 onwards it MUST be installed separately to MDAnalysis in
order to run the tests.
At r866 the trajectories were removed from the trunk. MDAnalysis 0.7.4 will be
a much leaner installation package than before.
Original comment by orbeckst
on 7 Sep 2011 at 8:26
Original issue reported on code.google.com by
orbeckst
on 21 May 2010 at 5:34