Re: [Rdkit-discuss] conda build of Release_2016_03_2 failed on Ubuntu 16.04.

[Riccardo Vianello]

Hi Markus,

I think the problem should be fixed now. The recipes were building the
cartridge using the earlier release tag, and therefore executing tests that
were not fully up-to-date. Please try again and let me know in case the
problem persisted.

Best,
Riccardo
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Re: [Rdkit-discuss] RDkit Ruby binding /gem

[Greg Landrum]

On Thu, Jun 30, 2016 at 7:19 PM, Yannick .Djoumbou 
wrote:

>
> Thanks for the suggestion. I will try that.
> I really think a native ruby gem would be really awesome, especially for
> all those Ruby on rails users, such as me :-D.
>

It is certainly possible to produce such a thing. SWIG, the tool that we
use to create the Java and C# wrappers for the RDKit, can also generate
ruby wrappers. It would require someone with some pretty solid knowledge of
Ruby and a basic level of comfort with C++ to do the work. It's probably
not a huge amount of work, but it's also not a minor project. Someone would
really need to invest some time in this to make it happen.

-greg
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Re: [Rdkit-discuss] RDkit Ruby binding /gem

[Yannick .Djoumbou]

Hi Michal,

Thanks for the suggestion. I will try that.
I really think a native ruby gem would be really awesome, especially for
all those Ruby on rails users, such as me :-D.

Regards,



On Wed, Jun 29, 2016 at 2:42 AM, Michał Nowotka  wrote:

> Hi,
>
> I'm not aware of any native Ruby bindings. However I would say, the
> best solution is to use some kind of remote API.
> A while ago I created a project called Braker, which exposes most of
> the RDKit methods as a RESTful API.
>
> The code is here: https://github.com/chembl/chembl_beaker
> The live endpoint is here: https://www.ebi.ac.uk/chembl/api/utils/docs
> (is uses older version of rdkit, so the best is to set up your own
> local endpoint).
> This tool is also included in this Docker image:
>
> http://ftp.ebi.ac.uk/pub/databases/chembl/VM/Docker/mychembl_20_ubuntu_docker.tar.gz
>
> I'm happy to answer any further questions if you are interested.
>
> Kind regards,
>
> Michał Nowotka
>
> On Wed, Jun 29, 2016 at 9:31 AM, Yannick .Djoumbou 
> wrote:
> > Hi all,
> >
> > I would like to use RDKit from a Ruby API.Is anyone aware of a well
> > maintained rdkit gem for ruby?
> >
> > Regards,
> >
> >
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> >
>
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Re: [Rdkit-discuss] conda build of Release_2016_03_2 failed on Ubuntu 16.04.

[Markus Sitzmann]

Hi Riccardo,

Thanks for your efforts and sorry that I didn't reply earlier. I am not sure 
about all the side conditions in order this error to occur but I am glad you 
can reproduce it.

Markus

-
|  Markus Sitzmann
|  markus.sitzm...@gmail.com

> On 30.06.2016, at 08:30, Riccardo Vianello  
> wrote:
> 
>> On Tue, Jun 28, 2016 at 11:40 PM, Markus Sitzmann 
>>  wrote:
>> unfortunately I have another problem - rdkit-postgres isn't building for me 
>> since the change to Release_2016_03_2. Is that a known problem?
> 
> I tested a couple of full builds and the master branch looks ok, but I could 
> reproduce this error with the tagged release. I will try to identify the 
> exact cause.
> 
> Best,
> Riccardo
> 
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Re: [Rdkit-discuss] conda build of Release_2016_03_2 failed on Ubuntu 16.04.

[Riccardo Vianello]

On Tue, Jun 28, 2016 at 11:40 PM, Markus Sitzmann  wrote:

> unfortunately I have another problem - rdkit-postgres isn't building for
> me since the change to Release_2016_03_2. Is that a known problem?
>

I tested a couple of full builds and the master branch looks ok, but I
could reproduce this error with the tagged release. I will try to identify
the exact cause.

Best,
Riccardo
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