Ling I ran into something similar installing an older version of rdkit recently, the temporary fix to get you able to install a new is adding "python=3.7" to your create statement
conda create -c rdkit -n my-rdkit-env rdkit python=3.7 Or specify the version of rdkit you would like... conda create -c rdkit -n my-rdkit-env rdkit-2020.03.6 However this will not solve the longer term issue that your conda environment is now looking for an older URL for rdkit. Dennis On Sat, Oct 10, 2020 at 6:47 PM 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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