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update developer installation instructions to use the main rms branch

Open ChrisBNEU opened this issue 2 years ago • 5 comments

Motivation or Problem

people are having trouble installing rmg because it is using an old rms version, see issue #2290

Description of Changes

changed the documentation to use the rms main branch instead of v 0.4.

Testing

did a clean rmg install and verified that I could regenerate the issue with the old install, and that the issue was resolved with the updated instructions.

Reviewer Tips

Just verify that this is a reasonable way to do this. I think the root cause is the specification of "v 0.4" in the install supercedes any configuration we have in the pyrms wrapper config.

ChrisBNEU avatar May 09 '22 15:05 ChrisBNEU

The instruction change looks good to me!

mjohnson541 avatar Jun 06 '22 18:06 mjohnson541

Thanks Chris and Matt. Should we update the instructions on updating code so people can keep up to date with RMS? and is anything needed to "compile" it?

rwest avatar Jun 06 '22 18:06 rwest

Yes. RMS doesn't require any special compilation step beyond updating the GitHub. However, the GitHub update step will look a bit different using the current instructions (since the GitHub repo it is setup to use there is managed by Julia.

When I originally set it up I had assumed RMS would operate more as a dependency rather than a codeveloped repo. However, dual PRs with RMS are becoming somewhat common. So it might actually not be a bad idea to handle RMS at least in the developer install like we do RMG-database. When doing it that way I believe you would just add the repo to Julia as a path instead of a GitHub url.

mjohnson541 avatar Jun 06 '22 18:06 mjohnson541

I agree with Matt, It will take me a little bit but I can update the developer instructions to include setting up RMS independently, I have already done that successfully on my computer. I am fortunately working on an older OS for mac, I heard at the last hack-a-thon that people had trouble getting the local RMS build to work with the most recent mac os. that might take a little investigating.

For now should I just update the "updating code" section and we can merge this? Just so external people don't keep getting the error from #2290

ChrisBNEU avatar Jun 06 '22 19:06 ChrisBNEU

Codecov Report

Merging #2305 (785ff4e) into main (76e6834) will decrease coverage by 0.59%. The diff coverage is n/a.

@@            Coverage Diff             @@
##             main    #2305      +/-   ##
==========================================
- Coverage   48.32%   47.72%   -0.60%     
==========================================
  Files         110       98      -12     
  Lines       30507    27678    -2829     
  Branches     7950     7317     -633     
==========================================
- Hits        14743    13210    -1533     
+ Misses      14219    13072    -1147     
+ Partials     1545     1396     -149     
Impacted Files Coverage Δ
arkane/kinetics.py 12.24% <0.00%> (ø)
arkane/main.py
rmgpy/util.py
arkane/input.py
rmgpy/kinetics/__init__.py
arkane/pdep.py
rmgpy/transport.py
arkane/exceptions.py
arkane/statmech.py
arkane/thermo.py
... and 6 more

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codecov[bot] avatar Jun 06 '22 20:06 codecov[bot]