ReactionMechanismGenerator / ReactionMechanismSimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
https://reactionmechanismgenerator.github.io/ReactionMechanismSimulator.jl
MIT License
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rmgmolecule: supported python version #231

Open oroppas opened 1 year ago

oroppas commented 1 year ago

Hi,

I installed RMS following https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl/wiki/RMS-Installation#as-a-user but got the following rmgmolecule-related issue:

julia> using ReactionMechanismSimulator
[ Info: Installing molecule.molecule via the Conda rmgmolecule package...
[ Info: Running `conda config --add channels hwpang --file /u/cd4mcq/.julia/conda/3/x86_64/condarc-julia.yml --force` in root environment
Warning: 'hwpang' already in 'channels' list, moving to the top
[ Info: Running `conda install -y rmgmolecule` in root environment
Collecting package metadata (current_repodata.json): done
Solving environment: unsuccessful initial attempt using frozen solve. Retrying with flexible solve.
Solving environment: unsuccessful attempt using repodata from current_repodata.json, retrying with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: unsuccessful initial attempt using frozen solve. Retrying with flexible solve.
Solving environment: / 
Found conflicts! Looking for incompatible packages.
This can take several minutes.  Press CTRL-C to abort.
failed                                                                                                                                                                                                             

UnsatisfiableError: The following specifications were found
to be incompatible with the existing python installation in your environment:

Specifications:

  - rmgmolecule -> python==3.7

Your python: python=3.10

If python is on the left-most side of the chain, that's the version you've asked for.
When python appears to the right, that indicates that the thing on the left is somehow
not available for the python version you are constrained to. Note that conda will not
change your python version to a different minor version unless you explicitly specify
that.

Will rmgmolecule support python 3.10 or greater?

mjohnson541 commented 1 year ago

So rmgmolecule is fundamentally a separately packaged subset of RMG-Py. At the moment RMG-Py doesn't support python > 3.7, although there are long term intentions to support newer python versions.

mjohnson541 commented 1 year ago

You should still be able to install it though, but if you need python packages that need a newer python they won't be able to live in the same conda environment.