Conda-forge contains old version

[steffen-fissler]

Dear developers,
thanks for all the work you put into TDC!

Describe the bug
When installing PyTDC via pip, one gets 0.4.1. Via conda-forge one gets 0.3.8:
With 0.3.8 in a Python console in terminal
from tdc import Oracle
oracle = Oracle(name = 'QED')
leads to
ImportError: cannot import name 'rmsd' from 'tdc.chem_utils.oracle.oracle' (/Users/<my_user>/opt/miniconda3/envs/<my_environment>/lib/python3.11/site-packages/tdc/chem_utils/oracle/oracle.py)

This is not the case with version 0.4.1, but that is not available on conda-forge.

Furthermore, is there any changelog available? I could not find one and the deployments do not seem to provide details about releases.

To Reproduce
Steps to reproduce the behavior:

1. Open a terminal
2. Enter python in an environment which has PyTDC installed via conda-forge
3. Enter from tdc import Oracle
4. Enter oracle = Oracle(name = 'QED')
5. See error ImportError: cannot import name 'rmsd' from 'tdc.chem_utils.oracle.oracle' (/Users/<my_user>/opt/miniconda3/envs/<my_environment>/lib/python3.11/site-packages/tdc/chem_utils/oracle/oracle.py)

Expected behavior
Basically having version 0.4.1 installed when using conda-forge. In the procedure we propose, a conda channel is necessary and we cannot use pip unfortunately.

Screenshots
Not applicable

Environment:

• OS: MacOS
• Python version: 3.11
• TDC version: 0.3.8
• Any other relevant information: No

Additional context
Thanks again for your contributions! I am grateful.

Best regards
Steffen

[amva13]

Hi Steffen, the conda installation of TDC is deprecated.