| # OpenFold reference-build modification |
|
|
| FastPLMs pins `aqlaboratory/openfold` revision |
| `4b41059694619831a7db195b7e0988fc4ff3a307` as an ESMFold parity oracle. |
| The pinned checkout under `vendor/upstream/openfold/` is not modified. |
|
|
| The `reference-esmfold` image applies |
| `docker/constraints/openfold-sm90.patch` to the copied `setup.py` before |
| installing OpenFold. The patch replaces OpenFold's build-time fallback CUDA |
| architecture list with `sm90` and changes the extension build flag from C++14 |
| to C++17. Docker BuildKit cannot observe the workstation GPU, so the original |
| setup otherwise requests legacy architectures that CUDA 12.1 no longer |
| accepts. PyTorch 2.2 requires C++17, and the H100 requires an `sm90` extension. |
|
|
| This is a build-only packaging change. It does not alter OpenFold model classes, |
| extension source, checkpoint data, or the public API used by the native oracle. |
| The resulting reference image is specific to the declared H100 validation |
| environment. |
|
|
| OpenFold imports PyTorch Lightning and NVIDIA DLLogger from its package |
| initializers even though ESMFold inference does not use their training or |
| logging features. The native image therefore pins PyTorch Lightning `1.9.5`, |
| TorchMetrics `0.11.4`, Lightning Utilities `0.15.2`, and NVIDIA DLLogger commit |
| `0478734ff7be75adde8d160e04872664d1c62e5f`. These Apache-2.0 dependencies are |
| native-reference-only and are not FastPLMs runtime dependencies. |
|
|
