Error during setup.py install with PyTorch2.1.2 and CUDA 12.1

[happy-nozaki]

I’m encountering build errors when running python setup.py install in an OpenFold environment with PyTorch (version 2.1.2), CUDA 12.1, and g++ 12.2. The error occurs during the compilation of CUDA extensions. Below is the detailed environment and error log.

usr/local/miniconda3/envs/openfold_env/lib/python3.10/site-packages/torch/include/pybind11/detail/../cast.h: In function 'typename pybind11::detail::type_caster<typename pybind11::detail::intrinsic_type::type>::cast_op_type pybind11::detail::cast_op(make_caster&)':
/usr/local/miniconda3/envs/openfold_env/lib/python3.10/site-packages/torch/include/pybind11/detail/../cast.h:45:120: error: expected template-name before '<' token
45 | return caster.operator typename make_caster::template cast_op_type();
| ^
/usr/local/miniconda3/envs/openfold_env/lib/python3.10/site-packages/torch/include/pybind11/detail/../cast.h:45:120: error: expected identifier before '<' token
/usr/local/miniconda3/envs/openfold_env/lib/python3.10/site-packages/torch/include/pybind11/detail/../cast.h:45:123: error: expected primary-expression before '>' token
45 | return caster.operator typename make_caster::template cast_op_type();
| ^
/usr/local/miniconda3/envs/openfold_env/lib/python3.10/site-packages/torch/include/pybind11/detail/../cast.h:45:126: error: expected primary-expression before ')' token
45 | return caster.operator typename make_caster::template cast_op_type();
| ^

Environment:
Python: 3.10
PyTorch: 2.1.2
CUDA: 12.1
G++: 12.2
PyBind11: 2.13.6
OpenFold version: 2.0.0
Operating System: Linux (Ubuntu 22.10)

[vaclavhanzl]

Please try the pl_upgrades branch with my PR #496 applied.

[vaclavhanzl]

PR #496 is now merged to the pl_upgrades branch. Maybe it fixes this issue @happy-nozaki ?

[happy-nozaki]

Confirmed fixed! Thank you! 🙏

[vaclavhanzl]

My pleasure @happy-nozaki ! So let's close this? You likely can, I cannot.