Re: [Rdkit-discuss] Is there a Ubuntu ppa or some repository with the latest rdkit release as .deb ?

2017-06-22 Thread Dimitri Maziuk 

On 2017-06-22 01:36, Francois BERENGER wrote:


make deb # in rdkit source tree

Some people might ask for a make rpm target also.


You'd have to track any changes that redhat, canonical, suse, and 
whoever else's out there might make to e.g. filesystem layout, linked 
libraries, python and so on.


There is snap packages and AppImage packages. I've no idea if either is 
suitable for shared libraries with python libraries etc.


I'd just grab the newer source .deb and try to build it on your system.

Dima


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Re: [Rdkit-discuss] Is there a Ubuntu ppa or some repository with the latest rdkit release as .deb ?

2017-06-21 Thread Francois BERENGER 

On 06/22/2017 03:18 PM, Maciek Wójcikowski wrote:

Hi,

I'd suppose the latest version if not in PPA (I dont know such repo) is 
available in Debian Sid/Experimental. Unfortunately it's still two 
versions behind. https://packages.debian.org/sid/python-rdkit It's still 
a year newer that the one you have.


You might also try packages from newer versions of Ubuntu: Zetsy already 
has the 2016.3 version https://packages.ubuntu.com/zesty/python-rdkit


Yes, but it will probably try to pull many other things to a more recent 
version (like libstdc++, boost and I don't know what else).


In a perfect world, we would just need to do:

make deb # in rdkit source tree

Some people might ask for a make rpm target also.

I'll tell my adventures if I manage to do something useful.



Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl 

2017-06-22 5:00 GMT+02:00 Greg Landrum >:


I'm not aware of any such repository.

The debichem team (really Michael Banck) puts together the debian
RDKit releases that end up in ubuntu:
https://debichem.alioth.debian.org/


This isn't an area that I know anything about, but here's the part
of their SVN repo that has the RDKit stuff, perhaps that is useful?
https://anonscm.debian.org/viewvc/debichem/unstable/rdkit/debian/


-greg


On Thu, Jun 22, 2017 at 1:55 AM, Francois BERENGER
mailto:beren...@bioreg.kyushu-u.ac.jp>> wrote:

Hello,

I'd like to install rdkit system-wide.

However, I'd like the install to use a regular system package
since rdkit is available in my distro.

I don't like system-wide install from sources.
Because they tend to install things in different places
than what the binary package does, and several other sysadmin
reasons.

If there is some doc online on how to update the .deb
packages for Ubuntu/Debian, I might have a look at them.

Regards,
F.

PS: Ubuntu 16.04.2 LTS ships rdkit 201503-3



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Re: [Rdkit-discuss] Is there a Ubuntu ppa or some repository with the latest rdkit release as .deb ?

2017-06-21 Thread Maciek Wójcikowski 
Hi,

I'd suppose the latest version if not in PPA (I dont know such repo) is
available in Debian Sid/Experimental. Unfortunately it's still two versions
behind. https://packages.debian.org/sid/python-rdkit It's still a year
newer that the one you have.

You might also try packages from newer versions of Ubuntu: Zetsy already
has the 2016.3 version https://packages.ubuntu.com/zesty/python-rdkit


Pozdrawiam,  |  Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl

2017-06-22 5:00 GMT+02:00 Greg Landrum :

> I'm not aware of any such repository.
>
> The debichem team (really Michael Banck) puts together the debian RDKit
> releases that end up in ubuntu:
> https://debichem.alioth.debian.org/
>
> This isn't an area that I know anything about, but here's the part of
> their SVN repo that has the RDKit stuff, perhaps that is useful?
> https://anonscm.debian.org/viewvc/debichem/unstable/rdkit/debian/
>
> -greg
>
>
> On Thu, Jun 22, 2017 at 1:55 AM, Francois BERENGER <
> beren...@bioreg.kyushu-u.ac.jp> wrote:
>
>> Hello,
>>
>> I'd like to install rdkit system-wide.
>>
>> However, I'd like the install to use a regular system package
>> since rdkit is available in my distro.
>>
>> I don't like system-wide install from sources.
>> Because they tend to install things in different places
>> than what the binary package does, and several other sysadmin reasons.
>>
>> If there is some doc online on how to update the .deb
>> packages for Ubuntu/Debian, I might have a look at them.
>>
>> Regards,
>> F.
>>
>> PS: Ubuntu 16.04.2 LTS ships rdkit 201503-3
>>
>>
>> 
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>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
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>
>
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Re: [Rdkit-discuss] Is there a Ubuntu ppa or some repository with the latest rdkit release as .deb ?

2017-06-21 Thread Greg Landrum 
I'm not aware of any such repository.

The debichem team (really Michael Banck) puts together the debian RDKit
releases that end up in ubuntu:
https://debichem.alioth.debian.org/

This isn't an area that I know anything about, but here's the part of their
SVN repo that has the RDKit stuff, perhaps that is useful?
https://anonscm.debian.org/viewvc/debichem/unstable/rdkit/debian/

-greg


On Thu, Jun 22, 2017 at 1:55 AM, Francois BERENGER <
beren...@bioreg.kyushu-u.ac.jp> wrote:

> Hello,
>
> I'd like to install rdkit system-wide.
>
> However, I'd like the install to use a regular system package
> since rdkit is available in my distro.
>
> I don't like system-wide install from sources.
> Because they tend to install things in different places
> than what the binary package does, and several other sysadmin reasons.
>
> If there is some doc online on how to update the .deb
> packages for Ubuntu/Debian, I might have a look at them.
>
> Regards,
> F.
>
> PS: Ubuntu 16.04.2 LTS ships rdkit 201503-3
>
>
> 
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> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
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> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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[Rdkit-discuss] Is there a Ubuntu ppa or some repository with the latest rdkit release as .deb ?

2017-06-21 Thread Francois BERENGER 

Hello,

I'd like to install rdkit system-wide.

However, I'd like the install to use a regular system package
since rdkit is available in my distro.

I don't like system-wide install from sources.
Because they tend to install things in different places
than what the binary package does, and several other sysadmin reasons.

If there is some doc online on how to update the .deb
packages for Ubuntu/Debian, I might have a look at them.

Regards,
F.

PS: Ubuntu 16.04.2 LTS ships rdkit 201503-3


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