asap-data | OpenEye Toolkits version 2023.2.3 breaks on lilac

[apayne97]

Not currently an issue, but may become so soon, which is that our GLIBC version on Lilac is not up to date enough to handle the newest OE versions.

Version 2023.1.1 still works just fine.

Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/__init__.py", line 142, in __getattr__
    obj = self._find_attr(name)
  File "/home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/__init__.py", line 132, in _find_attr
    return self._get_openeye_module(name)
  File "/home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/__init__.py", line 108, in _get_openeye_module
    spec.loader.exec_module(mod)
  File "/home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/oespruce.py", line 47, in <module>
    _oespruce = swig_import_helper()
  File "/home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/oespruce.py", line 44, in swig_import_helper
    _oespruce = libs.OEGetModule('_oespruce1533')
  File "/home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/libs/__init__.py", line 109, in OEGetModule
    mod = importlib.util.module_from_spec(spec)
ImportError: /lib64/libc.so.6: version `GLIBC_2.28' not found (required by /home/paynea/miniforge3/envs/asapdiscovery/lib/python3.10/site-packages/openeye/libs/python3-linux-x64-g++10.x/liboespruce-1.5.3.3.so)

[hmacdope]

Idk why they didn't statically link it, but this is a bit of a problem, AFAIK we can't really work around old GLIBC.

[hmacdope]

Without updating lilac system libs itself.

[mikemhenry]

Yah an older version of openeye toolkits will be needed (we could ask them to statically link it, they might not like the larger binary).

I know you can install sysroot_linux-64=2.28, that might work, but only if that glibc gets picked up before the one that is on lilac

[hmacdope]

We can just add a pin, I don't think we will lose a lot.