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mtuq.download_greens_tensors output path requested #208

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aileen-fisher opened this issue Mar 17, 2023 · 3 comments
Open

mtuq.download_greens_tensors output path requested #208

aileen-fisher opened this issue Mar 17, 2023 · 3 comments

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@aileen-fisher
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Reqest ability to modify GFs output path. Writing files within the mtuq install folder becomes a problem on a multi-user system where not everyone has write permissions to that path.

@rmodrak
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rmodrak commented Mar 18, 2023

@aileen-fisher,

Does an environment variable approach work for you? I believe the syngine download path can be specified through the environment variable SYNGINE_CACHE, but we could work on making it more robust (checking path existence, checking write permission, better documented) or implementing something else altogether. Please let us know if you have any preferences.

-Ryan

@aileen-fisher
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aileen-fisher commented Mar 20, 2023 via email

@rmodrak
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rmodrak commented Mar 20, 2023

Right now, it's just an undocumented feature implemented here:

https://github.com/rmodrak/mtuq/blob/ea5f26796d7e8f2a38db10be49190386611b98f1/mtuq/util/syngine.py#L74

Let me think about if a more robust approach is possible.

-Ryan

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