This enables tmol to work with the latest torch (2.2) and python (3.12). It also (hopefully) simplifies the packaging of tmol so that it can be used more easily in a greater number of environments.
To support newer pytorch versions the compiler std version is bumped to c++17. There are also some additions of explicit device placements for tensors because torch has gotten more strict about automatically moving tensors in indexing operations. The deprecated torch.testing.assert_allclose is replaced by torch.testing.assert_close (see https://github.com/pytorch/pytorch/issues/61844)
To support python >= 3.11 typish is removed as a dependency and replaced by a vendored version which fixes a bug in equality comparison of subscripted types.
package configuration is moved into pyproject.toml and now includes specification of dependencies so that they are automatically fetched on install. This also enables installing directly from the git repo (pip install git+https://github.com/kleinhenz/tmol.git@bump_versions)
git version information is embedded into the library and available at tmol.__version__ using setuptools_scm.
in the env.yml the cudatoolkit is changed to the version provided by nvidia at nvidia/label/cuda-12.1.1::cuda. All other dependencies are moved to pip since it makes propagating dependencies to other projects easier.
A frozen set of known good dependency versions and a script to update them are provided in environments/linux-cuda.
This enables tmol to work with the latest torch (2.2) and python (3.12). It also (hopefully) simplifies the packaging of tmol so that it can be used more easily in a greater number of environments.
torch.testing.assert_allcloseis replaced bytorch.testing.assert_close(see https://github.com/pytorch/pytorch/issues/61844)pyproject.tomland now includes specification of dependencies so that they are automatically fetched on install. This also enables installing directly from the git repo (pip install git+https://github.com/kleinhenz/tmol.git@bump_versions)tmol.__version__using setuptools_scm.env.ymlthe cudatoolkit is changed to the version provided by nvidia at nvidia/label/cuda-12.1.1::cuda. All other dependencies are moved to pip since it makes propagating dependencies to other projects easier.