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keiserlab / e3fp

3D molecular fingerprints
GNU Lesser General Public License v3.0
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Set up automatic testing #14

Closed sethaxen closed 7 years ago

sethaxen commented 7 years ago

Once we've gone live and added unit tests (see #6), to ensure that future development doesn't break existing functionality, we should set up integration with an automatic testing service like Travis CI. This would also help with testing compatibility with multiple Python versions (see #13).

sethaxen commented 7 years ago

Also see Coveralls.io. It's free for open source projects and shows which code is not covered by current tests.

sethaxen commented 7 years ago

Because RDKit is a dependency and is not pip installable, we'll use conda to install all dependencies, followed by using pip to install the latest version of E3FP from GitHub. This is therefore dependent on #16.

sethaxen commented 7 years ago

It turns out Coveralls.io requires a subscription, but a less pretty result can be obtained with coverage.py.

Continuous integration is now in place and passing with Travis CI.

sethaxen commented 7 years ago

Coveralls.io is actually free for open source repos, so we'll use it!