diff --git a/requirements.txt b/requirements.txt index 53ae824..4562cfb 100644 --- a/requirements.txt +++ b/requirements.txt @@ -6,7 +6,7 @@ pyscf>=2.14.0 # HPC / parallel mpi4py>=4.1.2 -numpy>=1.24 +numpy>=2.5.2 scipy>=1.18.0 # Optional: GPU acceleration (requires CUDA 12.2)