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rdkit / conda-rdkit

Conda build recipe for the rdkit
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fix unix boost version to 1.65.1 #66

Closed markussitzmann closed 6 years ago

markussitzmann commented 6 years ago

fix unix boost version to 1.65.1 in boost/meta.yaml

markussitzmann commented 6 years ago

The following of my Docker scripts (if you replace line 45-47 with 'rdkit/conda-rdkit' instead of my fork and checkout branch 'development'):

https://github.com/chembience/chembience/blob/master/context/base/rdkit/Dockerfile

created a RDKit version that was missing boost 1.65.1 and there was only (I think) boost 1.63 available. So, with my fork and the pushed fix I got it working again). Maybe I have to re-check it.

greglandrum commented 6 years ago

Please give it a try again. Note that there were some fairly major changes to the way the build is done when we switched to the new anaconda5 setup with #64 This docker image shows a build process that works for me: https://github.com/rdkit/rdkit_containers/blob/master/docker/centos6_anaconda5/Dockerfile

(I'm currently running that again now to confirm that it still works, I will update this comment if it does not).

greglandrum commented 6 years ago

@markussitzmann : does the new version of the development branch work for you now?

markussitzmann commented 6 years ago

Hi Greg, sorry for the late reply - I had it working since then, however, the reason why I found your reply now is because I have trouble again with boost. I am currently investigating (I saw there are also some other recent issues with boost).

Markus

P.S. I think I have the boost pin problem like in #71 #72