Paolo,
Thank you for your rapid reply. It's a great suggestion, we are getting
somewhere. I ran the first Python test with the "-V" (verbose?) option and, as
you can see from the output below, Python is having a problem finding the rdkit
module. Do you have any suggestions on how to fix this? T
Dear Earl,
it looks like you might only need to add $RDBASE to your PYTHONPATH.
p.
On 13/03/2020 16:38, Earl Higgins wrote:
Paolo,
Thank you for your rapid reply. It's a great suggestion, we are
getting somewhere. I ran the first Python test with the "-V"
(verbose?) option and, as you can
Dear Earl,
given that all Python tests are failing my guess is that you might be
running the tests with a Python interpreter different from the one you
have built RDKit against. Re-run one of the failing tests with -V
ctest -I 2,2 -V
to get some more information.
Cheers,
p.
On 13/03/2020 1
I am new to RDKit, and my goal is to be able to build it from source under
Ubuntu 18.04.4 LTS running in a VM using Oracle VirtualBox (host Windows 10). I
need to be able to build from source because, as a developer, I am on a team
which is looking at making some enhancements to the MOL file loa
This might also be of interest, I have a Dockerfile here which builds
RDKit, including the postgresql cartridge:
https://github.com/JBEI/clusterCAD/blob/master/debian-cheminformatics/Dockerfile
Sincerely,
Tyler Backman
On Tue, Oct 3, 2017 at 2:45 AM, Greg Landrum wrote:
> Thanks for sharing that
Thanks for sharing that Kovas.
I'm sure this will be helpful for people who don't want to/can't use
anaconda.
Best,
-greg
On Mon, Oct 2, 2017 at 7:34 PM, Kovas Palunas
wrote:
> Hi all,
>
>
> I thought I'd share a script I wrote to build RDKit and Boost together
> which has worked for me on Lin
Hi all,
I thought I'd share a script I wrote to build RDKit and Boost together which
has worked for me on Linux (CentOS) and Mac machines so far. I run RDKit in a
virtualenv Python environment (not in anaconda), so this may only be helpful
for a small group of RDKitters. Hopefully some of yo
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