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theochem / cgrid

C++ version of horton (2.x) grid functionality
GNU General Public License v3.0
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Get CI working #2

Closed tovrstra closed 7 years ago

tovrstra commented 7 years ago

This can be done more easily after it starts working for cellcutoff

tovrstra commented 7 years ago

Packages for cellcutoff are available on anaconda.org/theochem. The project structure of cellcutoff can be used as a template as well.

matt-chan commented 7 years ago

Linux is working. OSX builds are breaking for some reason and I can't replicate on my machine.

@FarnazH, do you mind taking a look if you have time please? Thanks! (Also be aware of #6 when looking at the .yml files)

tovrstra commented 7 years ago

I can reproduce the OSX problem of the Travis build locally. It is a bit weird that it once worked on Linux. We need to install cellcutoff differently (pxd files) for qcgrids to work. I'm not sure why it ever worked before. I'll try a fix and keep you updated.

tovrstra commented 7 years ago

The problem was already fixed (just tested it locally). We only have to make a new release of the cellcutoff package. I'm doing that now.

matt-chan commented 7 years ago

Ahh of course! Sorry I forgot about that. I fixed the cellcutoff package for Linux but I had no way to build it for OSX so I couldn't upload it to conda. I should have made a tagged release..

Matt

On Fri, 1 Sep 2017 at 14:46 Toon Verstraelen notifications@github.com wrote:

The problem was already fixed (just tested it locally). We only have to make a new release of the cellcutoff package. I'm doing that now.

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tovrstra commented 7 years ago

You can just push a tag with a version number.

matt-chan commented 7 years ago

Yep. Do you want me to do that? Or are you working on it already?

On Fri, 1 Sep 2017 at 14:54 Toon Verstraelen notifications@github.com wrote:

You can just push a tag with a version number.

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matt-chan commented 7 years ago

Nevermind, just saw the release.

On Fri, 1 Sep 2017 at 15:03 Matthew Chan chanmhy@mcmaster.ca wrote:

Yep. Do you want me to do that? Or are you working on it already?

On Fri, 1 Sep 2017 at 14:54 Toon Verstraelen notifications@github.com wrote:

You can just push a tag with a version number.

— You are receiving this because you commented.

Reply to this email directly, view it on GitHub https://github.com/theochem/qcgrids/issues/2#issuecomment-326572749, or mute the thread https://github.com/notifications/unsubscribe-auth/AA_-NbcKIFBjE4pzmzcHP1gQNBy5zixaks5sd_6ggaJpZM4PAFoL .

-- Matt

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-- Matt

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tovrstra commented 7 years ago

Fixed.