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[Python 3.9] Overhaul RMG-RMS Python-Julia dependencies (juliaup
and pythoncall
), Add Tests for Arkane Network Algorithms
#2687
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when it is missing
also update the final run example - the point of specifying the `PYTHONPATH` was so that users _don't_ have to give the full path to `rmg.py` - the `python` executable can search it out
- clearer error messages Co-authored-by: Hao-Wei Pang <45482070+hwpang@users.noreply.github.com>
I'll update this comment with the path forward for each platform as the errors roll in. All PlatformsThere are Cython errors all over the place, namely because we have incremented Cython to: M1 MacsThe following packages are outright missing, but without any conflicts:
Anything in the RMG channel we can build for M1 macs, if it comes to that. UbuntuWe will need to rebuild the Intel MacsSame as Ubuntu. |
Julia and Pyjulia would be taken care of by #2640 (which would be unblocked if we could get past Python 3.7), so that leave muq? (and the ones that are our responsibility) |
Is this faring any better than 3.10 or 3.11? at least it solved the boost - rdkit - muq issue? or do we need to await results on non-M1-platforms? |
Local testing shows that this resolves the muq + rdkit issue. I tried leaving in our packages ( |
@rwest initial tests are done. M1 macs are missing a number of packages that are outside of our control. I think that is a dead end. Ubuntu and MacOS need the All platforms will need Cython errors fixed. |
Following some offline discussion, @hwpang and I have agreed that I will rebase this PR onto #2640 and then merge it into the same. This will:
|
…t, update subprocess syntax to py3
…ce_scipy [Python 3.9] Clar SciPy Re-implementation, `pythoncall` Debugging, Optional RMS
as requested in: #2687 (comment)
as requested in: #2687 (comment)
Replace #2635, targeting a smaller improvement in Python minor version to keep better compatibility with our dependencies.