jump_smiles: Drop conda in favor of poetry

[shntnu]

Moved to conda, but note that we have a bunch of warnings because we had to move to a newer version of rdkit

====================================================== warnings summary ======================================================
../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/__init__.py:20
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/__init__.py:20: DeprecationWarning: The module rdkit.Chem.MolStandardize.standardize is deprecated and will be removed in the next release.
    from .standardize import (Standardizer, canonicalize_tautomer_smiles,

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:23
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:23: DeprecationWarning: The module rdkit.Chem.MolStandardize.charge is deprecated and will be removed in the next release.
    from .charge import ACID_BASE_PAIRS, CHARGE_CORRECTIONS, Reionizer, Uncharger

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:24
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:24: DeprecationWarning: The module rdkit.Chem.MolStandardize.fragment is deprecated and will be removed in the next release.
    from .fragment import PREFER_ORGANIC, FragmentRemover, LargestFragmentChooser

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:25
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:25: DeprecationWarning: The module rdkit.Chem.MolStandardize.metal is deprecated and will be removed in the next release.
    from .metal import MetalDisconnector

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:26
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:26: DeprecationWarning: The module rdkit.Chem.MolStandardize.normalize is deprecated and will be removed in the next release.
    from .normalize import MAX_RESTARTS, NORMALIZATIONS, Normalizer

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:27
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/standardize.py:27: DeprecationWarning: The module rdkit.Chem.MolStandardize.tautomer is deprecated and will be removed in the next release.
    from .tautomer import (MAX_TAUTOMERS, TAUTOMER_SCORES, TAUTOMER_TRANSFORMS, TautomerCanonicalizer,

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/__init__.py:22
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/__init__.py:22: DeprecationWarning: The module rdkit.Chem.MolStandardize.validate is deprecated and will be removed in the next release.
    from .validate import Validator, validate_smiles

../../../../../Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/validate.py:24
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/rdkit/Chem/MolStandardize/validate.py:24: DeprecationWarning: The module rdkit.Chem.MolStandardize.validations is deprecated and will be removed in the next release.
    from .validations import VALIDATIONS

libs/jump_smiles/test/test_standardize_smiles.py::test_standardize_molecule[jump_canonical]
libs/jump_smiles/test/test_standardize_smiles.py::test_standardize_molecule[jump_alternate_1]
  /Users/shsingh/Library/Caches/pypoetry/virtualenvs/smiles-kVFxlX8C-py3.12/lib/python3.12/site-packages/tqdm/std.py:468: DeprecationWarning: datetime.datetime.utcfromtimestamp() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.fromtimestamp(timestamp, datetime.UTC).
    if rate and total else datetime.utcfromtimestamp(0))

-- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html

[afermg]

Looks good to me (yay for poetry!) just a couple of tiny changes:

• remove black from dev deps (it is unnecessary given that we have ruff)
• remove environment.yml (I understand that we want people with conda to be able to install it, but it is harder to keep track of both). I suggest to publish to pypi instead.