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I have a conda environment that contains a package rdkit. conda list shows it is indeed installed:

# Name                    Version                   Build  Channel
mordred                   1.2.0                      py_1    conda-forge
rdkit                     2022.09.1        py39h6c30a6c_1    conda-forge

I also have my own package which has in the setup.py (a.o.) rdkit as dependency:

    install_requires=[
        'rdkit',
        'mordred'
        ]

Unfortunately, when I run pip install -e . in the folder of that setup.py, pip decides to install rdkit again. Now I have two installations of rdkit which is ofcourse asking for trouble. In both cases, it installs rdkit 2022.09.1. If I remove rdkit from the install_requires list everything works fine (even though the package mordred has rdkit as its dependency). removing mordred, but keeping rdkit makes pip install rdkit again (which it shouldn't because the requirement is already satisfied)

Martin
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    Possible duplicate of : https://stackoverflow.com/a/56889729/7207930 – Vandan Revanur Feb 20 '23 at 19:44
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    Does this answer your question? [Using Pip to install packages to Anaconda Environment](https://stackoverflow.com/questions/41060382/using-pip-to-install-packages-to-anaconda-environment) – Vandan Revanur Feb 20 '23 at 19:44
  • Unfortunately, using Python -m pip install . yields the same problem of installing rdkit again (while it is already in the finds env) – Martin Feb 27 '23 at 20:32
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    Did you figure this out yet? The [rdkit tag at MMSE](https://mattermodeling.stackexchange.com/questions/tagged/rdkit) has 95.5% of its questions answered. If you want this question migrated there, please ping me by typing @Nike in a comment and letting me know. I'll make a case to the moderators for a migration. – Nike Mar 10 '23 at 20:16
  • @Nike No I haven't. If you think they can help me with this issue, please migrate this question. – Martin Apr 04 '23 at 11:37
  • Actually it's too late. There's a 90-day limit for migrations. You'll have to ask separately on MMSE (you can provide a link to this question in the new question). – Nike Apr 04 '23 at 13:45

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