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 >> >
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