Greg Landrum writes:
> On Fri, Sep 15, 2017 at 1:37 PM, Loris Bennett
> wrote:
>
> When I did
>
> make test
>
> some of the tests failed:
>
> 61% tests passed, 46 tests failed out of 117
>
> but most of the failures seemed to have been caused by
>
> ImportError: No module named rdkit
>
>
On Fri, Sep 15, 2017 at 1:37 PM, Loris Bennett
wrote:
>
> When I did
>
> make test
>
> some of the tests failed:
>
> 61% tests passed, 46 tests failed out of 117
>
> but most of the failures seemed to have been caused by
>
> ImportError: No module named rdkit
>
Yeah, this is because you'd
Hi Greg,
Greg Landrum writes:
> One thing that may help is this (somewhat older, but I believe still
> accurate) post from Riccardo:
> https://sourceforge.net/p/rdkit/mailman/message/30074971/
>
> It's been a while since I looked at this (since I mainly use conda these
> days), but I just did
One thing that may help is this (somewhat older, but I believe still
accurate) post from Riccardo:
https://sourceforge.net/p/rdkit/mailman/message/30074971/
It's been a while since I looked at this (since I mainly use conda these
days), but I just did a quick experiment with:
mkdir build
cd
On Fri, Sep 15, 2017 at 9:12 AM, Loris Bennett
wrote:
>
> Greg Landrum writes:
>
> > I'll provide a more detailed answer in a bit, but since you aren't
> > using the system python anyway, is there any chance that you could
> > switch to anaconda python on your machines? Anaconda is a great pytho
Well, if you have python 2.7 and 3.5 already running ,you can use
(mini)conda for the RDKit installation (conda is anaconda but instead of
one huge package you can install the packages you want including RDKit)
On Fri, Sep 15, 2017 at 9:12 AM, Loris Bennett
wrote:
> Hi Greg,
>
> Greg Landrum wr
Hi Greg,
Greg Landrum writes:
> I'll provide a more detailed answer in a bit, but since you aren't
> using the system python anyway, is there any chance that you could
> switch to anaconda python on your machines? Anaconda is a great python
> distribution for scientific applications and it makes
BTW, python 3.6 is out since last Christmas ;-) (and made it to
sub-release .2)
On Fri, Sep 15, 2017 at 8:36 AM, Greg Landrum
wrote:
> I'll provide a more detailed answer in a bit, but since you aren't using
> the system python anyway, is there any chance that you could switch to
> anaconda py
I'll provide a more detailed answer in a bit, but since you aren't using
the system python anyway, is there any chance that you could switch to
anaconda python on your machines? Anaconda is a great python distribution
for scientific applications and it makes many things (including system
administra
Hi Greg,
Greg Landrum writes:
> Hi Loris,
>
> On Thu, Sep 14, 2017 at 2:25 PM, Loris Bennett
> wrote:
>
> I am trying to install RDKit on a university cluster running Linux from
> source. The build seem to go OK and 'make install' copied the
> directories
>
> lib
> rdkit
>
> to the NFS s
On Thu, Sep 14, 2017 at 9:58 PM, Andrew Dalke
wrote:
> On Sep 14, 2017, at 19:26, Dimitri Maziuk wrote:
> > Just FYI: python 2.6 is the system python on (at least) RHEL-6 family of
> > linux distros that will be officially with us until June 30, 2024.
>
> If only Greg got as much money for long
On 09/14/2017 03:04 PM, Markus Sitzmann wrote:
> Not on Centos 6 - Docker requires Centos 7 for the host system.
You can't win... :(
--
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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Not on Centos 6 - Docker requires Centos 7 for the host system.
On Thu, Sep 14, 2017 at 10:01 PM, Dimitri Maziuk
wrote:
> On 09/14/2017 02:58 PM, Andrew Dalke wrote:
>
> > If only Greg got as much money for long term RDKit support as Red Hat
> > gets for long term RHEL support. :)
>
> Yep. But a
On 09/14/2017 02:58 PM, Andrew Dalke wrote:
> If only Greg got as much money for long term RDKit support as Red Hat
> gets for long term RHEL support. :)
Yep. But an rdkit docker container might be feasible.
--
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc
On Sep 14, 2017, at 19:26, Dimitri Maziuk wrote:
> Just FYI: python 2.6 is the system python on (at least) RHEL-6 family of
> linux distros that will be officially with us until June 30, 2024.
If only Greg got as much money for long term RDKit support as Red Hat
gets for long term RHEL support. :
On Thu, Sep 14, 2017 at 9:07 PM, Dimitri Maziuk
wrote:
>
> All great when it's one computer and that one's your own personal laptop.
>
> > # yum ls \*python27\*
> > ...
> > python27.x86_642.7.13-2.ius.el6
> @salt-2015.8
> > [...]...
>
> Any guesses as
On Thu, Sep 14, 2017 at 7:26 PM, Dimitri Maziuk
wrote:
> On 09/14/2017 10:43 AM, Greg Landrum wrote:
>
> > Just to do some expectation management: python 2.6 is pretty ancient and
> > there's no guarantee that all of the RDKit code will work with it. Python
> > 2.7 is the minimum version that we
On 09/14/2017 01:41 PM, Riccardo Vianello wrote:
> True, but there shouldn't be any strong need for using the system python
> for running application software. Python 2.7 (together with python 3) has
> been available to RHEL6 subscribers since almost five years, as part of the
> Red Hat Software C
On Thu, Sep 14, 2017 at 7:26 PM, Dimitri Maziuk
wrote:
> Just FYI: python 2.6 is the system python on (at least) RHEL-6 family of
> linux distros that will be officially with us until June 30, 2024.
>
True, but there shouldn't be any strong need for using the system python
for running applicatio
On 09/14/2017 10:43 AM, Greg Landrum wrote:
> Just to do some expectation management: python 2.6 is pretty ancient and
> there's no guarantee that all of the RDKit code will work with it. Python
> 2.7 is the minimum version that we "officially" support. It's a very good
> idea to update.
Just FYI
Hi Loris,
On Thu, Sep 14, 2017 at 2:25 PM, Loris Bennett
wrote:
>
> I am trying to install RDKit on a university cluster running Linux from
> source. The build seem to go OK and 'make install' copied the
> directories
>
> lib
> rdkit
>
> to the NFS share where the software should reside. I
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