Bump version to 1.1.2 for PyPI release

[thk9178]

Summary

• Bump version from 1.1.1 to 1.1.2 in setup.py

Context

The current PyPI release (1.1.1) still pins torch<2.0, which causes pip to fail on modern Python (e.g., 3.11+). The constraint was already removed on main in commit 11184a0, but since PyPI does not allow re-uploading the same version, a version bump is needed to publish a working release.

After merging

Please publish the new version to PyPI so that pip install molscribe works out of the box on Python 3.11+ with torch 2.x.

[alexey-krasnov]

Hi @thk9178, it seems that a couple of the current dependencies, OpenNMT-py==2.2.0 and albumentations cannot be used with Python>3.11.

I tried a couple of times to adjust these dependencies to higher versions together with switching to a Python version higher than 3.11, but it failed due to dependencies conflicts.

You could find other adjusted dependencies in my fork requirements.txt. I already use torch>=2.5.0,<=2.7.1 and it works fine,

I think the next step should be to adjust OpenNMT-py and albumentations for the Python>3.11, please suggest your ideas.

Best,
Aleksei

[thomas0809]

Hi @alexey-krasnov,

Thanks for your contribution to the MolScribe repo!

Would it be possible to add your suggested dependencies to this PR? I will publish the changes to PyPI afterwards.

[thk9178]

Hi @alexey-krasnov, thanks for the detailed feedback.

I should have reviewed the existing PRs more carefully — your #37 already encompasses this change, so I'm closing this PR.

As for the Python 3.12+ issues with OpenNMT-py and albumentations, I'll take a look when I get a chance, though it seems like a non-trivial problem.

[thk9178]

Hi @thomas0809, sorry about closing this — I didn't see your comment in time.

@alexey-krasnov's #37 already includes a version bump along with broader dependency updates that cover Python 3.11 support, so it might be better to continue there. Hope that works for you!

[thomas0809]

@thk9178 No problem. It would be great if you could validate #37. Please feel free to propose changes. I'd be happy to merge it if you can make it work. Thanks!

[alexey-krasnov]

Hi @alexey-krasnov, thanks for the detailed feedback.

I should have reviewed the existing PRs more carefully — your #37 already encompasses this change, so I'm closing this PR.

As for the Python 3.12+ issues with OpenNMT-py and albumentations, I'll take a look when I get a chance, though it seems like a non-trivial problem.

Thank you @thk9178 , hope this issue will be resolved!