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Conda Windows

Noel O'Boyle
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Hi Maciej,

Regarding your work on setting up a Windows conda build, it might be good to discuss with Björn on getting this into bioconda. Bioconda already has the Linux builds.

- Noel


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Re: Conda Windows

mwojcikowski
Hi,

The Conda build for windows is nearly done. The final thing missing is the data directory (BABEL_DATADIR) which is placed in bin/data directory by CMake. Where would the library search for it when BABEL_DATADIR is empty? I've tried few of them, but with no success. 

Unfortunately Bioconda doesn't support Windows at the moment. Conda-forge does and we might think of pushing it there. I've copied all dependencies from there. Although do we want to keep track of multiple builds? I think that sticking with bioconda and creating openbabel channel is the way to go. Setting up CI for package building is a must. Travis for OSX, anaconda.org for Linux and appveyor for Windows.

----
Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
[hidden email]

2016-07-03 13:57 GMT+02:00 Noel O'Boyle <[hidden email]>:

Hi Maciej,

Regarding your work on setting up a Windows conda build, it might be good to discuss with Björn on getting this into bioconda. Bioconda already has the Linux builds.

- Noel



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Re: Conda Windows

mwojcikowski

----
Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
[hidden email]

2016-07-03 21:42 GMT+02:00 Maciek Wójcikowski <[hidden email]>:
Hi,

The Conda build for windows is nearly done. The final thing missing is the data directory (BABEL_DATADIR) which is placed in bin/data directory by CMake. Where would the library search for it when BABEL_DATADIR is empty? I've tried few of them, but with no success. 

Unfortunately Bioconda doesn't support Windows at the moment. Conda-forge does and we might think of pushing it there. I've copied all dependencies from there. Although do we want to keep track of multiple builds? I think that sticking with bioconda and creating openbabel channel is the way to go. Setting up CI for package building is a must. Travis for OSX, anaconda.org for Linux and appveyor for Windows.

----
Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
[hidden email]

2016-07-03 13:57 GMT+02:00 Noel O'Boyle <[hidden email]>:

Hi Maciej,

Regarding your work on setting up a Windows conda build, it might be good to discuss with Björn on getting this into bioconda. Bioconda already has the Linux builds.

- Noel




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Re: Conda Windows

bjoern.gruening@googlemail.com
In reply to this post by mwojcikowski
Hi Maciek,

Am 03.07.2016 um 21:42 schrieb Maciek Wójcikowski:

> Hi,
>
> The Conda build for windows is nearly done. The final thing missing is the
> data directory (BABEL_DATADIR) which is placed in bin/data directory by
> CMake. Where would the library search for it when BABEL_DATADIR is empty?
> I've tried few of them, but with no success.
>
> Unfortunately Bioconda doesn't support Windows at the moment. Conda-forge
> does and we might think of pushing it there. I've copied all dependencies
> from there. Although do we want to keep track of multiple builds? I think
> that sticking with bioconda and creating openbabel channel is the way to
> go. Setting up CI for package building is a must. Travis for OSX,
> anaconda.org for Linux and appveyor for Windows.

thanks for your work on this!
I'm fine with putting it into conda-forge. bioconda will depend on
conda-forge and we are also working together with them. bioconda will
also at some point provide Windows builds, but this is not a
top-priority at the moment.
I would not create a new channel for openbabel builds but rather merge
it into conda-forge/bioconda.

Thanks again!
Bjoern

> ----
> Pozdrawiam,  |  Best regards,
> Maciek Wójcikowski
> [hidden email]
>
> 2016-07-03 13:57 GMT+02:00 Noel O'Boyle <[hidden email]>:
>
>> Hi Maciej,
>>
>> Regarding your work on setting up a Windows conda build, it might be good
>> to discuss with Björn on getting this into bioconda. Bioconda already has
>> the Linux builds.
>>
>> - Noel
>>
>
>
>
> ------------------------------------------------------------------------------
> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape
>
>
>
> _______________________________________________
> OpenBabel-Devel mailing list
> [hidden email]
> https://lists.sourceforge.net/lists/listinfo/openbabel-devel
>

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Re: Conda Windows

mwojcikowski
That is fine with me. The beauty of having openbabel channel is that you can have "devel" label for current git master and make testing easier. Other than that I see no reasons not to go with stable builds somewhere else as conda-forge/bioconda seam fit for what we try to achieve.

----
Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
[hidden email]

2016-07-03 23:07 GMT+02:00 Björn Grüning <[hidden email]>:
Hi Maciek,

Am 03.07.2016 um 21:42 schrieb Maciek Wójcikowski:
> Hi,
>
> The Conda build for windows is nearly done. The final thing missing is the
> data directory (BABEL_DATADIR) which is placed in bin/data directory by
> CMake. Where would the library search for it when BABEL_DATADIR is empty?
> I've tried few of them, but with no success.
>
> Unfortunately Bioconda doesn't support Windows at the moment. Conda-forge
> does and we might think of pushing it there. I've copied all dependencies
> from there. Although do we want to keep track of multiple builds? I think
> that sticking with bioconda and creating openbabel channel is the way to
> go. Setting up CI for package building is a must. Travis for OSX,
> anaconda.org for Linux and appveyor for Windows.

thanks for your work on this!
I'm fine with putting it into conda-forge. bioconda will depend on
conda-forge and we are also working together with them. bioconda will
also at some point provide Windows builds, but this is not a
top-priority at the moment.
I would not create a new channel for openbabel builds but rather merge
it into conda-forge/bioconda.

Thanks again!
Bjoern

> ----
> Pozdrawiam,  |  Best regards,
> Maciek Wójcikowski
> [hidden email]
>
> 2016-07-03 13:57 GMT+02:00 Noel O'Boyle <[hidden email]>:
>
>> Hi Maciej,
>>
>> Regarding your work on setting up a Windows conda build, it might be good
>> to discuss with Björn on getting this into bioconda. Bioconda already has
>> the Linux builds.
>>
>> - Noel
>>
>
>
>
> ------------------------------------------------------------------------------
> Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San
> Francisco, CA to explore cutting-edge tech and listen to tech luminaries
> present their vision of the future. This family event has something for
> everyone, including kids. Get more information and register today.
> http://sdm.link/attshape
>
>
>
> _______________________________________________
> OpenBabel-Devel mailing list
> [hidden email]
> https://lists.sourceforge.net/lists/listinfo/openbabel-devel
>


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Re: Conda Windows

Geoff Hutchison
> That is fine with me. The beauty of having openbabel channel is that you can have "devel" label for current git master and make testing easier.

This sounds great. As a conda user, it would make life much simpler. What can I do to help make it happen?

> Other than that I see no reasons not to go with stable builds somewhere else as conda-forge/bioconda seam fit for what we try to achieve.

Indeed.

Sounds like there's some resolution. What are the next steps (e.g., what would need to change for 2.4.0 or 2.4.1)?

Thanks,
-Geoff
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Re: Conda Windows

mwojcikowski
The linux and MacOS builds are fairly ready. I'd say Windows is 95% done (see the other thread). I think we should build all archs in 64bit. 

If we go for openbabel channel on anaconda.org we should set it up, then we could set up Anaconda Cloud builds for linux. For automated builds via CI some additional scripts should be added to travis for MacOS. Appveyor aslo needs it's channel and is almost ready on my repo (https://github.com/mwojcikowski/openbabel-packages/blob/master/appveyor.yml).

Anyhow we should push updated 2.4.x versions to bioconda/conda-forge. A I said for Linux and MacOS it's just changing the version in URL, since current git master compiles.

----
Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
[hidden email]

2016-07-05 20:42 GMT+02:00 Geoffrey Hutchison <[hidden email]>:
> That is fine with me. The beauty of having openbabel channel is that you can have "devel" label for current git master and make testing easier.

This sounds great. As a conda user, it would make life much simpler. What can I do to help make it happen?

> Other than that I see no reasons not to go with stable builds somewhere else as conda-forge/bioconda seam fit for what we try to achieve.

Indeed.

Sounds like there's some resolution. What are the next steps (e.g., what would need to change for 2.4.0 or 2.4.1)?

Thanks,
-Geoff


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Re: Conda Windows

Geoff Hutchison
If we go for openbabel channel on anaconda.org we should set it up,

I already registered an openbabel organization on anaconda.org. I'm happy to add people/owners as needed.

-Geoff


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