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make scipy optional #25

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orbeckst opened this issue Dec 11, 2015 · 3 comments · Fixed by #26
Closed

make scipy optional #25

orbeckst opened this issue Dec 11, 2015 · 3 comments · Fixed by #26
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@orbeckst
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0.3 bugfixes

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@orbeckst
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scipy is not installed by setup.py but nevertheless scipy is imported in such a way that import gridData fails without scipy.

Make sure that import scipy does not prevent importing of the package and give a sensible error message if functionality requiring scipy is used (the interpolation).
@orbeckst orbeckst self-assigned this Dec 11, 2015
@orbeckst orbeckst added this to the 0.3 bugfixes milestone Dec 11, 2015
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See also MDAnalysis/mdanalysis#563 .

@kain88-de
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We already do an interpolation when we initialize the Grid object. I haven't look to much into the actual logic of the Grid object so I don't know how easy it is to make this optional.

orbeckst added a commit that referenced this issue Dec 12, 2015
@orbeckst
make scipy import optional (issue #25)
19da4d4 
- moved scipy.ndimage into interpolation method of Grid; will only
  be needed when interpolation is required
- added build matrix tests with/without scipy
- decorated tests with dec.skipif(module_not_found('scipy')) (from MDAnalysis)
  (added module_not_found to test/__init__.py; this also means that the tests
  are included in the package)
- release as 0.3.2
- fixes #25
This was referenced Dec 12, 2015
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orbeckst added a commit that referenced this issue Dec 12, 2015
@orbeckst
Merge pull request #26 from MDAnalysis/issue/25
75ae094 
make scipy import optional (issue #25)
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I just made it optional and the tests pass.

Oliver Beckstein
email: [email protected]

Am Dec 11, 2015 um 16:22 schrieb kain88-de [email protected]:

We already do an interpolation when we initialize the Grid object. I haven't look to much into the actual logic of the Grid object so I don't know how easy it is to make this optional.

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orbeckst added a commit to MDAnalysis/mdanalysis that referenced this issue Dec 12, 2015
@orbeckst
GridDataFormats >= 0.3.2 required
736438c 
- The new release 0.3.1 of GridDataFormats contains the fix for issue MDAnalysis/GridDataFormats#21
  which is needed to fix issue #544.
- The release 0.3.2 allows importing of gridData without scipy.ndimage present
  (MDAnalysis/GridDataFormats#25): this allows the minimal tests to pass
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make scipy import optional (issue #25) MDAnalysis/GridDataFormats
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