Merge branch 'master' into hess_nuc_elec

bytedance · Feb 15, 2024 · ce3613c · ce3613c
2 parents ebdf406 + 55b7d7b
commit ce3613c
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diff --git a/README.md b/README.md
@@ -38,7 +38,7 @@ export PYTHONPATH="${PYTHONPATH}:/your-local-path/gpu4pyscf"
 ```
 Then install cutensor for acceleration
 ```sh
-python -m cupyx.tools.install_library --cuda 11.x --library cutensor
+pip3 install cutensor-cu11
 ```
 
 Features

diff --git a/setup.py b/setup.py
@@ -125,7 +125,7 @@ def initialize_with_default_plat_name(self):
     cmdclass={'build_py': CMakeBuildPy},
     install_requires=[
         'pyscf>=2.5.0',
-        f'cupy-cuda{CUDA_VERSION}>=12.3',
+        f'cupy-cuda{CUDA_VERSION}>=13.0',
         'geometric',
         f'gpu4pyscf-libxc-cuda{CUDA_VERSION}',
     ]