Hi Ling, Maybe you should switch to conda-forge channel. Replace "-c rdkit" with "-c conda-forge". At least that's what I'm using personally and I have no problems so far. The latest version of rdkit there is 2020.03.6.
Best, Christos Christos Kannas Scientific Software Developer (Cheminformatics) [image: View Christos Kannas's profile on LinkedIn] <http://cy.linkedin.com/in/christoskannas> <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Virus-free. www.avast.com <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> <#m_-2612651416672237168_DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> On Fri, 16 Oct 2020 at 21:00, Ling Chan <lingtrek...@gmail.com> wrote: > Thank you Drew for your suggestion. I tried it, but it did not help. > > I also did a "conda clean -a" on top of that. Still, when I do > conda create -c rdkit -n rdkenv rdkit > it stubbornly points to > rdkit rdkit/linux-64::rdkit-2018.03.2.0-py36h6bb024c_1 > > and as I wrote before, I don't have a ".condarc" file in my home > directory. Moreover, there is no "pinned" file found in any of my > conda-meta directories. And even "conda update rdkit --no-pin" does not > update my rdkit. > > I have no idea where it picks up that 2018 rdkit version and sticks to it. > > Ling > > Drew Gibson <drew.gibso...@googlemail.com> 於 2020年10月12日週一 上午4:35寫道： > >> Hi, >> >> I had a similar issue in the past. Try updating conda... >> >> conda update conda >> >> then try creating your RDKit environment again. >> >> Drew >> >> On Sat, 10 Oct 2020 at 23:47, Ling Chan <lingtrek...@gmail.com> wrote: >> >>> Dear colleagues, >>> >>> I am trying to install RDKit using conda. According to the manual at >>> https://www.rdkit.org/docs/Install.html#how-to-install-rdkit-with-conda >>> >>> it is very simple. I just need to do >>> >>> conda create -c rdkit -n my-rdkit-env rdkit >>> >>> It used to work. Somehow when I try this again, things are not working. >>> When I investigated, it turns out that somehow the 2018.03.2.0 version of >>> rdkit was installed instead of the most current one. It seems to me that I >>> have screwed up my conda setup. Just wonder what have I screwed up? How can >>> I repair it? >>> >>> One hint could be found at the message when I did conda create. The line >>> for rdkit looks different from the other lines, as indicated below. >>> Unfortunately I still could not figure it out. >>> >>> Thank you for your insight. >>> >>> Ling >>> >>> >>> ================================================= >>> >>> > conda create -c rdkit -n tempenv rdkit >>> >>> The following NEW packages will be INSTALLED: >>> >>> _libgcc_mutex pkgs/main/linux-64::_libgcc_mutex-0.1-main >>> blas pkgs/main/linux-64::blas-1.0-mkl >>> bzip2 pkgs/main/linux-64::bzip2-1.0.8-h7b6447c_0 >>> .... >>> python pkgs/main/linux-64::python-3.6.12-hcff3b4d_2 >>> python-dateutil pkgs/main/noarch::python-dateutil-2.8.1-py_0 >>> pytz pkgs/main/noarch::pytz-2020.1-py_0 >>> rdkit rdkit/linux-64::rdkit-2018.03.2.0-py36h6bb024c_1 >>> readline pkgs/main/linux-64::readline-8.0-h7b6447c_0 >>> setuptools pkgs/main/linux-64::setuptools-50.3.0-py36hb0f4dca_1 >>> six pkgs/main/noarch::six-1.15.0-py_0 >>> .... >>> >>> >>> _______________________________________________ >>> Rdkit-discuss mailing list >>> Rdkit-discuss@lists.sourceforge.net >>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> >> _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Virus-free. www.avast.com <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
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