add windows option

Author: Daniel Zuegner

pyproject.toml

@@ -68,9 +68,9 @@ dependencies = [
 "setuptools",
 "SMACT",
 "sympy>=1.11.1",
-"torch==2.2.1+cu118; sys_platform == 'linux'", 
-"torchvision==0.17.1+cu118; sys_platform == 'linux'",
-"torchaudio==2.2.1+cu118; sys_platform == 'linux'",
+"torch==2.2.1+cu118; sys_platform != 'darwin'", 
+"torchvision==0.17.1+cu118; sys_platform != 'darwin'",
+"torchaudio==2.2.1+cu118; sys_platform != 'darwin'",
 "torch==2.4.1; sys_platform == 'darwin'",
 "torchvision==0.19.1; sys_platform == 'darwin'",
 "torchaudio==2.4.1; sys_platform == 'darwin'",
@@ -97,30 +97,30 @@ include = ["mattergen*"]
 "*" = ["**.yaml", "**.csv", "**.pt", "**.json"]
 
 [tool.uv.sources]
-torch = { index = "pytorch_linux",  marker = "sys_platform == 'linux'" }
-torchvision = { index = "pytorch_linux",  marker = "sys_platform == 'linux'" }
-torchaudio = { index = "pytorch_linux",  marker = "sys_platform == 'linux'" }
-pyg-lib = [
-  { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/pyg_lib-0.4.0%2Bpt22cu118-cp310-cp310-linux_x86_64.whl",  marker = "sys_platform == 'linux'" },
-  { url = "https://data.pyg.org/whl/torch-2.4.0%2Bcpu/pyg_lib-0.4.0%2Bpt24-cp310-cp310-macosx_14_0_universal2.whl",  marker = "sys_platform == 'darwin'" }
-]
+torch = { index = "pytorch_cuda",  marker = "sys_platform != 'darwin'" }
+torchvision = { index = "pytorch_cuda",  marker = "sys_platform != 'darwin'" }
+torchaudio = { index = "pytorch_cuda",  marker = "sys_platform != 'darwin'" }
+
 torch_cluster = [
   { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/torch_cluster-1.6.3%2Bpt22cu118-cp310-cp310-linux_x86_64.whl",  marker = "sys_platform == 'linux'" },
+  { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/torch_cluster-1.6.3%2Bpt22cu118-cp310-cp310-win_amd64.whl",  marker = "sys_platform == 'win32'"  },
   { url = "https://data.pyg.org/whl/torch-2.4.0%2Bcpu/torch_cluster-1.6.3-cp310-cp310-macosx_10_9_universal2.whl",  marker = "sys_platform == 'darwin'"  }
 ]
 
 torch_scatter = [
   { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/torch_scatter-2.1.2%2Bpt22cu118-cp310-cp310-linux_x86_64.whl",  marker = "sys_platform == 'linux'" },
+  { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/torch_scatter-2.1.2%2Bpt22cu118-cp310-cp310-win_amd64.whl",  marker = "sys_platform == 'win32'"  },
   { url = "https://data.pyg.org/whl/torch-2.4.0%2Bcpu/torch_scatter-2.1.2-cp310-cp310-macosx_10_9_universal2.whl",  marker = "sys_platform == 'darwin'"  }
 ]
 
 torch_sparse = [
   { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/torch_sparse-0.6.18%2Bpt22cu118-cp310-cp310-linux_x86_64.whl",  marker = "sys_platform == 'linux'" },
+  { url = "https://data.pyg.org/whl/torch-2.2.0%2Bcu118/torch_sparse-0.6.18%2Bpt22cu118-cp310-cp310-win_amd64.whl",  marker = "sys_platform == 'win32'"  },
   { url = "https://data.pyg.org/whl/torch-2.4.0%2Bcpu/torch_sparse-0.6.18-cp310-cp310-macosx_11_0_universal2.whl",  marker = "sys_platform == 'darwin'"  }
 ]
 
 [[tool.uv.index]]
-name = "pytorch_linux"
+name = "pytorch_cuda"
 url = "https://download.pytorch.org/whl/cu118"
 explicit = true