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Nose tests cannot find data set files

See original GitHub issue

The nose tests seem to expect the data sets from https://github.com/choderalab/pymbar-datasets to be in a directory in my home folder named pymbar_data. However, it seems like some of the files are not matching up. Here is my output from those tests (I assume the first two go with these data sets as well):

pymbar.tests.test_covariance.test_gas ... SKIP: skip
pymbar.tests.test_covariance.test_8proteins ... SKIP: skip

pymbar.tests.test_mbar_solvers.test_gas ... SKIP: Cannot load dataset; skipping test.  Try downloading pymbar-datasets GitHub repository and setting PYMBAR-DATASETS environment variable.  Error was '``/home/wes/pymbar_data/gas-properties/gas-properties.h5`` does not exist'
pymbar.tests.test_mbar_solvers.test_8proteins ... SKIP: Cannot load dataset; skipping test.  Try downloading pymbar-datasets GitHub repository and setting PYMBAR-DATASETS environment variable.  Error was '``/home/wes/pymbar_data/8proteins/8proteins.h5`` does not exist'

I can’t find gas-properties.h5 or 8proteins.h5 in the pymbar-datasets git repo.

Issue Analytics

  • State:closed
  • Created 7 years ago
  • Comments:7 (5 by maintainers)

github_iconTop GitHub Comments

1reaction
jchoderacommented, Dec 31, 2016

We’re going to remove those tests until we have someone who is willing to maintain working versions of them. Thanks for pointing this out!

0reactions
jchoderacommented, Dec 31, 2016

I don’t know that we need nose-tests on examples, as they are examples, not core code, and presumably they would take a while to complete, as they are realistic problems, not modular code designed for reuse. All we would really expect is that if someone followed the README and ran the scripts, they would be able to reproduce the results.

And they would not be able to, because the code was broken and not fully documented.

Even if they are examples, there should still be some continuous integration mechanism in place that tests to make sure they still work despite changes to pymbar or upstream tools (such as pytables). Without this and nobody to maintain them, they are no longer useful here.

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