Open marta-sd opened 6 years ago
It might be like glibc compatibility, so that the compiled version is the oldest supported. That way if we compile with numpy 1.13 the requirement is numpy => 1.13.
Update: @mwojcikowski compiled rdkit with numpy=1.12, and indeed it works both with 1.12 and 1.13
That's strange... the version of the code that I did the conda builds from (the development branch) does actually specify a numpy version: https://github.com/rdkit/conda-rdkit/blob/development/rdkit/meta.yaml maybe I screwed something up when I did the builds.
I guess you're on linux?
Yes, I'm using linux.
If I understood correctly, this line:
https://github.com/rdkit/conda-rdkit/blob/7e80fec107a1dd887ae24fdcf9878c08f7c80c8f/rdkit/meta.yaml#L25
should be numpy ==1.12
. When its >=1.12, conda can use the most recent version (1.13) to build this package and then it doesn't support the older one (1.12).
Note, that this line: https://github.com/rdkit/conda-rdkit/blob/7e80fec107a1dd887ae24fdcf9878c08f7c80c8f/rdkit/meta.yaml#L43 should stay as it is.
Got it. Thanks. @rvianello : does this seem right to you too?
yes, I couldn't test it, but it makes sense to me. I think conda build also supported a specific syntax that was intended to define the runtime requirements based on what was used at build time, but this is also changing a bit in version 3.x, so the proposed constraints should be fine for now.
Hi,
I have troubles working with the newest version of RDKit together with not-the-newest version of numpy.
It seems like
rdkit
package requiresnumpy=1.13
, although it is not stated in the dependencies. The simplest example that doesn't work (tested on Ubuntu 16.04):and then in Python I get this error:
Note that importing
rdkit
doesn't raise the exception. Also, when I use Python 2.7 I get slightly different error:When I create the environment with numpy v. 1.13 everything works fine (checked in Py3.6 and Py2.7).