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How to resolve conflicts with `conda` not being able to install `pyiron` or `lammps`? #22

Open jan-janssen opened 7 months ago

jan-janssen commented 7 months ago

One current issue is that pyiron is not yet compatible to Python 3.12 as discussed in https://github.com/pyiron/FAQs/issues/21

Otherwise the following, is a general strategy to debug issues with conda installations. Start by enforcing the use of conda-forge as default channel: https://conda-forge.org/docs/user/introduction.html#how-can-i-install-packages-from-conda-forge

conda config --add channels conda-forge
conda config --set channel_priority strict

Afterwards update your environment: 

conda update --all

Then try to install pyiron and lammps again, now all dependencies should be installed from conda-forge.

jan-janssen commented 7 months ago

Another issue we encountered in particular in combination with the sphinxdft package which provides the SPHInX package is that the nomkl package https://anaconda.org/conda-forge/nomkl is preventing the installation of the mkl package. Unfortunately the error message does not emphasis this restriction but rather just mentions that mkl cannot be installed.