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rdkit / conda-rdkit

Conda build recipe for the rdkit
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is it expected that boost is pulled from conda3 main channel and not rdkit? #74

Closed truatpasteurdotfr closed 5 years ago

truatpasteurdotfr commented 5 years ago 
$ conda install --channel rdkit rdkit
Solving environment: done

## Package Plan ##

  environment location: /opt/conda

  added / updated specs: 
    - rdkit

The following packages will be downloaded:

    package                    |            build
    ---------------------------|-----------------
    rdkit-2018.03.4.0          |   py36h71b666b_1        19.5 MB  rdkit
    py-boost-1.65.1            |   py36hf484d3e_4         297 KB
    libboost-1.65.1            |       habcd387_4        19.2 MB
    ------------------------------------------------------------
                                           Total:        39.0 MB

The following NEW packages will be INSTALLED:

    libboost: 1.65.1-habcd387_4               
    py-boost: 1.65.1-py36hf484d3e_4           
    rdkit:    2018.03.4.0-py36h71b666b_1 rdkit
rvianello commented 5 years ago

yes, it is expected. Starting with release 2018.03, thanks to the availability of improved boost packages from anaconda, the rdkit packages do no longer depend on their own version.

this change is meant to both improve the integration of the rdkit binaries with the rest of the upstream python distribution, and simplify the build and maintenance for the RDKit project.

truatpasteurdotfr commented 5 years ago

thx