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Mpi4py in documentation #237

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upasana-m opened this issue Jul 22, 2024 · 0 comments · May be fixed by #238
Open

Mpi4py in documentation #237

upasana-m opened this issue Jul 22, 2024 · 0 comments · May be fixed by #238

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@upasana-m
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Thanks for the very clear documentation! I just wanted to point out that in the version that's on github we miss mentioning mpi4py as an optional package to install. I installed it without mpi4py and tried running the FRET calculations and got an error message. But it runs fine once mpi4py is installed.
@Justin-J-Miller Justin-J-Miller linked a pull request Jul 25, 2024 that will close this issue
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Updated README and env.yaml to include mpi4py Justin-J-Miller/enspara
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@upasana-m