Update environment.yml

lab-cosmo · Sep 17, 2024 · 23d7344 · 23d7344
1 parent 8b5f9cc
commit 23d7344
Showing 1 changed file with 3 additions and 2 deletions.
diff --git 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