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 ....
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