Comments (2)
Yes indeed, RDKit isn't specified as a dependency in setup.py
because you can't install it from PyPI, only using conda. That's why conda is the recommended method of installation mentioned in the README, but I can make it a bit more clear that otherwise RDKit needs to be installed explicitly by the user.
I'm going to put out a new version this week and the bioconda recipe will be updated accordingly, so that will allow easy installation of the latest version using conda again.
I'm aware of the deprecation warning by Numba. It's a warning because in the future some Numba internals will change. My code should work with the old as well as the upcoming new Numba functionality without needing to be changed, so for the time being that warning can be safely ignored. I'll make a note of it in the README as well to avoid any confusion.
Be sure to let me know if you have any further comments or feature requests.
from spectrum_utils.
Ok, thanks a lot - no feature requests for now! ;)
from spectrum_utils.
Related Issues (20)
- Support Python 3.10 HOT 1
- annotate_peptide_fragments() got an unexpected keyword argument 'neutral_losses' HOT 7
- Annotating precursor peak. HOT 1
- Use 13C mass difference for isotope precursor removal
- Milestones for next release HOT 3
- M1 Mac installation
- how to import mass data pymzml package HOT 1
- loading spectrum by usi can't find m/z HOT 1
- Version when installing using conda
- Integration with IO packages
- Alternative dependency for fastobo? HOT 3
- [Feature request] Diagnostic information when a wrong mass mode is used HOT 1
- [Bug] Unpinned matplotlib version leads to unexpected results HOT 4
- Urlencode USI
- Unable to install in python 3.11 HOT 1
- Fix annotation of fragments with isotopic peaks
- 'MsmsSpectrumJit' object has no attribute 'annotate_proforma' HOT 2
- Update GNPS USI resolver to GNPS2 HOT 2
- function: noise peak removal HOT 1
- ValueError: Unknown precursor m/z from USI. Specify the precursor m/z directly. HOT 2
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from spectrum_utils.