diff --git a/examples/hamiltonian-learning-periodic/environment.yml b/examples/hamiltonian-learning-periodic/environment.yml index 452f33c5..ade03dcf 100644 --- a/examples/hamiltonian-learning-periodic/environment.yml +++ b/examples/hamiltonian-learning-periodic/environment.yml @@ -12,6 +12,9 @@ dependencies: - scipy - jupyter - ase==3.22.1 + - --prefer-binary + - pyscf==2.3.0 + - pyscfad @ git+https://github.com/fishjojo/pyscfad.git@ml#egg=pyscfad - seekpath - metatensor - metatensor-core @@ -20,8 +23,6 @@ dependencies: - metatensor-torch - --extra-index-url https://download.pytorch.org/whl/cpu - rascaline-torch @ git+https://github.com/luthaf/rascaline#subdirectory=python/rascaline-torch - - pyscf==2.3.0 - - pyscfad @ git+https://github.com/fishjojo/pyscfad.git@ml#egg=pyscfad - lightning - xitorch - keras_core