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clean install of conda python 3.7 rdkit rdkit for postgres on ubuntu 18.04 has boost version issues #79

@dpwildboar

Description

@dpwildboar

demonstration of issue

psql --port=15432 my-rdkit-db
psql (11.2)
Type "help" for help.

my-rdkit-db=# create extension rdkit;
ERROR: could not load library "/home/username/anaconda3/envs/my-rdkit/lib/rdkit.so": libboost_regex.so.1.65.1: cannot open shared object file: No such file or directory

versions of relevant things:

conda --version
conda 4.7.10

python --version
Python 3.7.3

uname -a
Linux iapetus 4.15.0-55-generic rdkit/rdkit#60-Ubuntu SMP Tue Jul 2 18:22:20 UTC 2019 x86_64 x86_64 x86_64 GNU/Linux

boost is installed however a more recent version:

cd ~/anaconda3/envs/my-rdkit/lib
ls libboost_regex.so*
libboost_regex.so libboost_regex.so.1.67.0

this workaround worked several weeks ago on another clean install.

try installing a prior version:

conda install -y boost=1.65.1 py-boost=1.65.1

Collecting package metadata (current_repodata.json): done
Solving environment: failed with current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: failed
Initial quick solve with frozen env failed. Unfreezing env and trying again.
Solving environment: failed

UnsatisfiableError: The following specifications were found
to be incompatible with the existing python installation in your environment:

  • boost=1.65.1 -> python[version='>=2.7,<2.8.0a0,>=3.6,<3.7.0a0']
  • py-boost=1.65.1 -> python[version='>=2.7,<2.8.0a0,>=3.6,<3.7.0a0']

If python is on the left-most side of the chain, that's the version you've asked for.
When python appears to the right, that indicates that the thing on the left is somehow
not available for the python version you are constrained to. Your current python version
is (python=3.7). Note that conda will not change your python version to a different minor version
unless you explicitly specify that.

The following specifications were found to be incompatible with each other:

Package setuptools conflicts for:

snip

a masive list of stuff **

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