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Pin boost and boost-python3 #73

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UnixJunkie
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Hello,
This should make the rdkit formula much more stable.
I did not create the two boost-related formulas (at version 1.70).
I just took them from the history of the homebrew-core
repository of formulas.
The only drawback I see is that the build time for rdkit on macs
will significantly increase.
But, as a Unix user, I have to admit that seeing something broken today
that was working yesterday annoys me a lot.
So, having the rdkit homebrew formula being more reproducible
is a net advantage.
Regards,
F.

plus, make the rdkit formula depend on them
to the last version (1.70) that was seen working with the current
rdkit release (2019_03_2)
@UnixJunkie
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should fix #50
and addresses #65

@UnixJunkie
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There is a risk that the Travis CI will time out.
If that happens, we should raise the timeout value.
Because, now we have to install boost, plus boost-python3 and rdkit from sources...

since we rely on version-pinned boost and boost-python3 whose brew
formulas are in this tap, we need to explicitely install them too
@UnixJunkie
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the Travis things also needed an update, tests are underway

we will decrease it later, if needed
@cthoyt
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cthoyt commented Sep 18, 2019

Thanks for beginning the process to update this. Much appreciated

@UnixJunkie
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We have a problem here: the CI tests go over 50 min so they are stopped no matter what.

@UnixJunkie
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@greglandrum do you want that we fix to a specific version of boost and boost-python3?
I just took 1.70 because it looks like the last version that was working in homebrew.
If you prefer another specific version, just say so.

@UnixJunkie
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UnixJunkie commented Sep 23, 2019

I think this can be merged, at last...
@greglandrum the only thing you need to check is that you are OK to pin boost and boost-python3 to 1.70. If you are not OK with that, just tell me which one you want to commit to.

@UnixJunkie
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@mcs07 Hi Matt, can you provide some feedback on this PR?

@UnixJunkie UnixJunkie merged commit a79c8dd into rdkit:master Sep 30, 2019
@UnixJunkie
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There were no dissident voices, so I merged.

@cthoyt
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cthoyt commented Sep 30, 2019

When installing brew install --head rdkit --with-python3 --with-inchi, it's unable to find the precompiled version of boost. We're having a short discussion on twitter about it right now here:

Recompiling boost is putting my 2011 MBP through quite a work out 😂 @RDKit_org pic.twitter.com/InsBl1SxGn

— Charles Tapley Hoyt (@cthoytp) September 30, 2019

@UnixJunkie
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When installing brew install --head rdkit --with-python3 --with-inchi, it's unable to find the precompiled version of boost.

Try this:

brew update
which python3 || brew install python3
pip3 install numpy
brew unlink boost || echo boost_not_installed
brew unlink boost-python3 || echo boost-python3_not_installed
brew install rdkit --with-python3 --with-inchi

Send the full log (as a gist) if it doesn't work.

@UnixJunkie
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When installing brew install --head rdkit --with-python3 --with-inchi, it's unable to find the precompiled version of boost. We're having a short discussion on twitter about it right now here:

Recompiling boost is putting my 2011 MBP through quite a work out joy @RDKit_org pic.twitter.com/InsBl1SxGn— Charles Tapley Hoyt (@cthoytp) September 30, 2019

If you want to improve on that (build time), you can work on this issue:
#74

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2 participants