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choderalab / itctools

Tools for setting up ITC experiments in an automated fashion using the Tecan EVO and Auto-iTC 200.
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Format repository like our other repositories? #37

Open kyleabeauchamp opened 9 years ago

kyleabeauchamp commented 9 years ago

IMHO it might be nice to format this repository to match all our other repositories, e.g.

  1. Have a directories devtools/ci and devtools/conda-recipe
  2. Use a conda recipe for building and testing on travis, managing prerequisites
bas-rustenburg commented 9 years ago

Yeah, that's a good idea. I'll take a stab at it.

jchodera commented 9 years ago

+1!

bas-rustenburg commented 9 years ago

If I add requirements to the conda recipe (in meta.yaml), does that mean the requirements have to be conda-installable?

jchodera commented 9 years ago

I think so.

We could either have our own choderalab/conda-recipes to wrap these, or we can see if omnia/conda-recipes might be an appropriate place to put them. Or make a PR to conda/conda-recipes.

jchodera commented 9 years ago

Actually, wait. conda install packagename will also check PyPI, right?

bas-rustenburg commented 9 years ago

Not as far as I know. I can't use conda install pint for instance. That is why I use pip install pint.

On Thu, Jan 15, 2015 at 12:24 AM, John Chodera notifications@github.com wrote:

Actually, wait. conda install packagename will also check PyPI, right?

— Reply to this email directly or view it on GitHub https://github.com/choderalab/itctools/issues/37#issuecomment-70013358.

jchodera commented 9 years ago

http://www.peterbronez.com/Using%20PyPi%20Packages%20with%20Conda

bas-rustenburg commented 9 years ago

Thanks! Do we have a choderalab binstar with conda packages?

Regardless, I do think I will still submit a PR to conda/conda-recipes for pint. It should be an interesting package for a scientific python distribution.

On Thu, Jan 15, 2015 at 12:29 AM, John Chodera notifications@github.com wrote:

http://www.peterbronez.com/Using%20PyPi%20Packages%20with%20Conda

— Reply to this email directly or view it on GitHub https://github.com/choderalab/itctools/issues/37#issuecomment-70013908.

jchodera commented 9 years ago

Thanks! Do we have a choderalab binstar with conda packages?

Not yet!

Regardless, I do think I will still submit a PR to conda/conda-recipes for pint. It should be an interesting package for a scientific python distribution.

Agreed!

kyleabeauchamp commented 9 years ago

We've been putting everything on omnia. On Jan 14, 2015 6:34 PM, "Bas Rustenburg" notifications@github.com wrote:

Thanks! Do we have a choderalab binstar with conda packages?

Regardless, I do think I will still submit a PR to conda/conda-recipes for pint. It should be an interesting package for a scientific python distribution.

On Thu, Jan 15, 2015 at 12:29 AM, John Chodera notifications@github.com wrote:

http://www.peterbronez.com/Using%20PyPi%20Packages%20with%20Conda

— Reply to this email directly or view it on GitHub https://github.com/choderalab/itctools/issues/37#issuecomment-70013908.

— Reply to this email directly or view it on GitHub https://github.com/choderalab/itctools/issues/37#issuecomment-70014486.