Tests for PSA now use tempdir (fix for Issue #557)

[sseyler]

Tests for PSA now construct a PSAnalysis object using tempdir.TempDir() for the targetdir keyword. The psadata directory should now be created in a temporary directory and be properly cleaned up after the tests are completed.

[orbeckst]

PSA tests fail (something about Tempdir not having .startswith method) – please fix.

The failures due libgfortran missing are probably conda's fault again; I just raised #576.

[orbeckst]

TempDir() is a context manager and I think if you use it like TempDir().name (which would give you the directory name) then the directory will be created and immediately destroyed.
Either wrap the whole thing in

with tempdir.in_tempdir():

or use tempfile.mkdtemp() explicitly together with explicit clean up in tearDown().

[orbeckst]

Looking at the rest of the code, I think your only option is to do things explicitly with

import tempfile
import shutil

# ....
    def setUp(self):
          self.tempdir = tempfile.mkdtemp()
          ...
          self.psa =  MDAnalysis.analysis.psa.PSAnalysis(self.universes, ..., targetdir=self.tempdir)

    def tearDown(self):
            if self.tempdir:
                 shutil.rmtree(self.tempdir)
            self.name = None

[orbeckst]

You should not need to delete the outdir explicitly. tempdir will autodestruct as soon as the last reference is gone so your

del self.tempdir

should be enough.

[orbeckst]

Looking good; the test failures are #576