Tracegroomer

- [x] fixes PyPI infos in .toml file: https://pypi.org/project/tracegroomer/ link to github repo and other fields
- [x] solved the output file names (auto "_computed") that perturb the Galaxy version behaviour (issue 12 solved)
- [x] made the tool more robust: run even if user only provides total metabolite abundances

New:
- supports input: **variableMetadata + isotopologues_dataMatrix** (both in .tsv),
- automatically imports samples metadata with .tsv and .csv extensions
- improves the arguments flags
- allows to change the extension of the output files, if desired
- internally: refactored functions & added class CompositeData

first tag