search

babbush / HistoricalFermiLib

This is repo where we developed FermiLib, which then became OpenFermion
Apache License 2.0
1 stars 0 forks source link

rewrite integration tests #78

Closed babbush closed 7 years ago

babbush commented 7 years ago

Our integration tests are super important but unacceptable to ship with library in their current form. The first issue is that they call Psi4. Instead, we need some way to ship some simple molecules with the package so these tests can run on test data that ships with the package. Also, this will allow us to break up our integration tests into like 10 different tests instead of 1 huge one (which it is currently doing to avoid running psi4 every time). @damiansteiger , since you are in charge of the HDF5 stucture, I think you are a good person to help with this. I can also help.

damiansteiger commented 7 years ago

yes we should do tests which only depend on data which we ship.

damiansteiger commented 7 years ago

I will have a look

babbush commented 7 years ago

Thanks!

On Thu, Apr 27, 2017 at 2:55 PM, Damian Steiger notifications@github.com wrote:

I will have a look

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/babbush/fermilib/issues/78#issuecomment-297850197, or mute the thread https://github.com/notifications/unsubscribe-auth/ANlTf7O8iVF2QGE5cD-_xwu8_ZOdgDYGks5r0Q7kgaJpZM4NKh9s .

damiansteiger commented 7 years ago

there is an example now in fermilib/tests/ for hydrogen integration tests, the other ones need to be moved as well.