shift from common to torch env

GreatRSingh · May 22, 2024 · 016b62d · 016b62d
1 parent 2afa90f
commit 016b62d
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Showing 5 changed files with 3 additions and 2 deletions.
diff --git a/requirements/env_common.yml b/requirements/env_common.yml
@@ -27,4 +27,3 @@ dependencies:
     - xgboost
     - gensim  # used by mol2vec
     - tensorboard
-    - basis-set-exchange
diff --git a/requirements/env_common_3_8.yml b/requirements/env_common_3_8.yml
@@ -27,4 +27,3 @@ dependencies:
     - xgboost
     - gensim  # used by mol2vec
     - tensorboard
-    - basis-set-exchange
diff --git a/requirements/torch/env_torch.cpu.yml b/requirements/torch/env_torch.cpu.yml
@@ -13,3 +13,4 @@ dependencies:
     - -f https://data.pyg.org/whl/torch-2.2.1+cpu.html
     - torch-cluster
     - git+https://github.com/diffqc/dqclibs.git
+    - basis-set-exchange
diff --git a/requirements/torch/env_torch.gpu.yml b/requirements/torch/env_torch.gpu.yml
@@ -11,3 +11,4 @@ dependencies:
     - -f https://data.pyg.org/whl/torch-2.2.1+cu118.html
     - torch-cluster
     - git+https://github.com/diffqc/dqclibs.git
+    - basis-set-exchange
diff --git a/requirements/torch/env_torch.mac.cpu.yml b/requirements/torch/env_torch.mac.cpu.yml
@@ -11,3 +11,4 @@ dependencies:
     - pydantic
     - torch-cluster
     - git+https://github.com/diffqc/dqclibs.git
+    - basis-set-exchange