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Merge pull request #176 from LopezGroup-ICIQ/gitlzzz-patch-2
Update README with macOS pip installation examples
2 parents ada7b45 + 59389c5 commit e44494a

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README.md

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@@ -114,6 +114,10 @@ Optional dependencies are installed using the following syntax:
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```bash
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python3 -m pip install ./ATLAS['OPTIONAL_DEPENDENCY_NAME']
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```
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on Mac:
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```bash
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python3 -m pip install "./ATLAS[OPTIONAL_DEPENDENCY_NAME]"
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```
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Some installation examples follow:
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@@ -123,6 +127,10 @@ Some installation examples follow:
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# Install the library and the MACE dependencies in the venv using pip
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python3 -m pip install ./ATLAS['mace']
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```
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on Mac:
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```bash
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python3 -m pip install "./ATLAS[mace]"
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```
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#### Using `uv`
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pyproject.toml

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@@ -50,9 +50,9 @@ mace = [
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"mace-torch==0.3.14",
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"torch>=2.5.0,<2.10",
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"torchvision>=0.24.1",
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"cuequivariance",
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"cuequivariance-torch",
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"cuequivariance-ops-torch-cu12",
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"cuequivariance; sys_platform != 'darwin'",
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"cuequivariance-torch; sys_platform != 'darwin'",
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"cuequivariance-ops-torch-cu12; sys_platform != 'darwin'",
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# "cuequivariance==0.5.1",
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# "cuequivariance-torch==0.5.1",
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# "cuequivariance-ops-torch-cu12==0.5.1",

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