# this file used only for installing pinned packages for testing only! please do not install using this manually!
ase==3.29.0
ase-db-backends==0.11.0
dftd3==1.6.0
e3nn==0.6.0
huggingface-hub==1.29.0
setuptools<85.0.0
torch==2.13.0
torchtnt==0.2.4
numba==0.67.0
numpy==2.4.6
scikit-learn==1.9.0
lmdb==1.6.2
pymatgen==v2026.5.4
ray[serve]==2.58.0
# Ray Serve 2.55.1 declares `protobuf>=3.20.3` with no upper bound, but is
# not compatible with protobuf 7.x. The 7.x release (mid-June 2026) removed
# `FieldDescriptor.label`, which Ray Serve's gRPC serialization path uses:
# https://github.com/ray-project/ray/issues/... — see CI failure
# `AttributeError: 'google._upb._message.FieldDescriptor' object has no
# attribute 'label'` in test_rayserve_remote_task_multiple_concurrent.
# Pin to 6.x until Ray ships a fix.
protobuf<7
ipykernel==7.3.0
jupyter_book==2.1.6
pytest-xdist==3.8.0
# Provides --suppress-no-test-exit-code so the CI workflow can stop
# treating pytest exit 5 ("no tests collected") as a failure without
# shell-idiom workarounds. Used by .github/workflows/test.yml in every
# pytest step where a shard / sweep / marker combo can legitimately
# collect zero tests.
pytest-custom-exit-code==0.3.0
nvalchemi-toolkit-ops==0.4.1