conda-forge / rdkit-feedstock

A conda-smithy repository for rdkit.
BSD 3-Clause "New" or "Revised" License
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Incompatibility with Boost 1.75 #71

Closed raimis closed 3 years ago

raimis commented 3 years ago

Issue:

rkdik installs with boost 1.74 as expected:

$ conda create -c conda-forge -n tmp1 rdkit boost=1.74

But it fails with boost 1.75, which is the latest version (https://anaconda.org/conda-forge/boost/files?version=1.75.0)

$ conda create -c conda-forge -n tmp2 rdkit boost=1.75
Collecting package metadata (current_repodata.json): done
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: \ 
Found conflicts! Looking for incompatible packages.
This can take several minutes.  Press CTRL-C to abort.
failed                                                                                                                                  

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

Output in format: Requested package -> Available versions

Package boost conflicts for:
rdkit -> boost[version='1.65.1|1.66.*|>=1.68.0,<1.68.1.0a0|>=1.70.0,<1.70.1.0a0|>=1.72.0,<1.72.1.0a0|>=1.74.0,<1.74.1.0a0|>=1.66.0,<1.66.1.0a0|1.66.0']
boost=1.75


Details about conda and system ( conda info ):

``` $ conda info active environment : base active env location : /shared/raimis/opt/miniconda shell level : 1 user config file : /home/raimis/.condarc populated config files : /home/raimis/.condarc conda version : 4.10.0 conda-build version : 3.21.4 python version : 3.7.9.final.0 virtual packages : __cuda=11.2=0 __linux=3.10.0=0 __glibc=2.17=0 __unix=0=0 __archspec=1=x86_64 base environment : /shared/raimis/opt/miniconda (writable) conda av data dir : /shared/raimis/opt/miniconda/etc/conda conda av metadata url : https://repo.anaconda.com/pkgs/main channel URLs : https://repo.anaconda.com/pkgs/main/linux-64 https://repo.anaconda.com/pkgs/main/noarch https://repo.anaconda.com/pkgs/r/linux-64 https://repo.anaconda.com/pkgs/r/noarch file:///shared/raimis/opt/miniconda/conda-bld/linux-64 file:///shared/raimis/opt/miniconda/conda-bld/noarch package cache : /shared/raimis/opt/miniconda/pkgs /home/raimis/.conda/pkgs envs directories : /shared/raimis/opt/miniconda/envs /home/raimis/.conda/envs platform : linux-64 user-agent : conda/4.10.0 requests/2.25.1 CPython/3.7.9 Linux/3.10.0-1160.21.1.el7.x86_64 centos/7.9.2009 glibc/2.17 UID:GID : 1006:1006 netrc file : None offline mode : False ```
mcs07 commented 3 years ago

The central pinning config for all conda-forge packages is still set to 1.74: https://github.com/conda-forge/conda-forge-pinning-feedstock/blob/master/recipe/conda_build_config.yaml#L346-L349

It looks like there might be a policy to skip odd numbered boost versions? https://github.com/conda-forge/conda-forge-pinning-feedstock/pull/1256

raimis commented 3 years ago

@mcs07 thank you for the explanation. I'll try rebuild my packages with Boost 1.74.