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cyrusyc commited on
Commit
639bd5d
·
1 Parent(s): b22d49d

disable tensorflow for deepmd installation

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Files changed (2) hide show
  1. .github/README.md +2 -0
  2. pyproject.toml +6 -3
.github/README.md CHANGED
@@ -31,6 +31,8 @@ bash scripts/install-pyg.sh
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  bash scripts/install-dgl.sh
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  pip install -e .[test]
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  pip install -e .[mace]
 
 
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  pip install -e .[deepmd]
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  ```
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  bash scripts/install-dgl.sh
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  pip install -e .[test]
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  pip install -e .[mace]
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+ # DeePMD
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+ export DP_ENABLE_TENSORFLOW=0
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  pip install -e .[deepmd]
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  ```
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pyproject.toml CHANGED
@@ -33,13 +33,13 @@ dependencies=[
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  "datasets",
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  "torch-geometric",
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  "safetensors",
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- "pymatgen"
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  ]
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  [project.optional-dependencies]
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  run = [
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  "torch==2.2.0",
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- "e3nn==0.5.1",
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  "matgl==1.1.2",
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  "dgl==2.4.0",
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  "mace-torch==0.3.4",
@@ -49,7 +49,8 @@ run = [
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  "orb-models==0.4.0",
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  "alignn==2024.5.27",
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  "prefect>=3.0.4,<3.1.0",
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- "prefect-dask"
 
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  ]
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  app = [
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  "streamlit==1.38.0",
@@ -71,6 +72,8 @@ test = [
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  "alignn==2024.5.27",
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  "pytest",
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  "prefect>=3.0.4,<3.1.0",
 
 
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  ]
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  mace = [
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  "mace-torch==0.3.4",
 
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  "datasets",
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  "torch-geometric",
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  "safetensors",
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+ "pymatgen",
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  ]
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  [project.optional-dependencies]
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  run = [
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  "torch==2.2.0",
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+ "e3nn==0.5.1", # Conflict
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  "matgl==1.1.2",
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  "dgl==2.4.0",
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  "mace-torch==0.3.4",
 
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  "orb-models==0.4.0",
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  "alignn==2024.5.27",
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  "prefect>=3.0.4,<3.1.0",
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+ "prefect-dask",
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+ "dask",
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  ]
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  app = [
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  "streamlit==1.38.0",
 
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  "alignn==2024.5.27",
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  "pytest",
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  "prefect>=3.0.4,<3.1.0",
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+ "prefect-dask",
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+ "dask",
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  ]
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  mace = [
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  "mace-torch==0.3.4",