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theochem / horton

HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
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MGGA and Hybrid MGGA functionals #160

Closed tovrstra closed 8 years ago

tovrstra commented 8 years ago

I've also updated and completed docstrings in some of the touched files. Most tests pass on my machine.

tovrstra commented 8 years ago

That was fast. I noticed a few small things in the buildkite QA. I'll make issues for them.

tovrstra commented 8 years ago

@sfias @crisely09 @FarnazH : you may be interested in the MGGA functionals. Feel free to review the code. :)

crisely09 commented 8 years ago

I've used a version of this code before... I had a look and it seems alright for me. Small question: this code uses the functions of the other PR, the numerical grids, does that one have to be merged before this?

matt-chan commented 8 years ago

Yep. It's already been merged yesterday or this morning I think.

On Thu, Sep 8, 2016 at 11:07 PM Cristina Gonzalez notifications@github.com wrote:

I've used a version of this code before... I had a look and it seems alright for me. Small question: this code uses the functions of the other PR, the numerical grids, does that one have to be merged before this?

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matt-chan commented 8 years ago

Travis is fine. It just timed out. I think 60s was not enough for parallel nose tests. We can bump that in another pr.

matt-chan commented 8 years ago

Ah the quote removal broke something.

I used strip because it was giving a string in a string to git checkout. (Single+ double quotes). Looks like it's happening again.

I don't understand why it didn't detect it in the last build kite testing though?

tovrstra commented 8 years ago

It seems that build kite still using the old .sh scripts while the new ones are correctly present in the merge. (I've checked out the merge locally and it looks good.) I will try a complete rebuild.

tovrstra commented 8 years ago

That didn't help.

matt-chan commented 8 years ago

That doesn't seem possible to me, but I'll debug it directly on the node when I get in! On Fri, Sep 9, 2016 at 10:47 AM Toon Verstraelen notifications@github.com wrote:

That didn't help.

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tovrstra commented 8 years ago

There are some weird things going wrong with other tests as well: trapdoor scripts not being found in other PRs.