| |
| """Report core OneScience/DTK and BoltzGen dependency versions.""" |
|
|
| from __future__ import annotations |
|
|
| import importlib |
| import sys |
| from importlib.metadata import PackageNotFoundError, version |
| from pathlib import Path |
|
|
|
|
| ROOT = Path(__file__).resolve().parents[1] |
| sys.path.insert(0, str(ROOT / "model")) |
|
|
|
|
| def package_version(distribution: str) -> str: |
| try: |
| return version(distribution) |
| except PackageNotFoundError: |
| return "NOT INSTALLED" |
|
|
|
|
| def main() -> int: |
| print("python:", sys.version.split()[0]) |
| try: |
| import torch |
|
|
| print("torch:", torch.__version__) |
| print("HIP:", torch.version.hip) |
| print("DCU available:", torch.cuda.is_available()) |
| print("device count:", torch.cuda.device_count()) |
| if torch.cuda.is_available() and torch.cuda.device_count(): |
| print("device 0:", torch.cuda.get_device_name(0)) |
| except Exception as exc: |
| print("torch check failed:", repr(exc)) |
| return 1 |
|
|
| for distribution in ( |
| "pytorch-lightning", "torchmetrics", "hydra-core", "omegaconf", |
| "biotite", "gemmi", "mashumaro", "einx", "hydride", "pydssp", |
| "logomaker", "frozendict", |
| ): |
| print(f"{distribution}:", package_version(distribution)) |
|
|
| try: |
| importlib.import_module("boltzgen.cli.boltzgen") |
| print("boltzgen import: OK") |
| except Exception as exc: |
| print("boltzgen import failed:", repr(exc)) |
| return 1 |
| return 0 |
|
|
|
|
| if __name__ == "__main__": |
| raise SystemExit(main()) |
|
|
