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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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Looking for the wrong version of gsl #84

Closed mixarcid closed 4 months ago

mixarcid commented 4 months ago

I just installed openmm-plumed via mamba (on Arch Linux). However, even running python -c "import openmmplumed" results in:

Traceback (most recent call last):
  File "<string>", line 1, in <module>
  File "/home/boris/miniconda3/envs/dbfe/lib/python3.10/site-packages/openmmplumed.py", line 12, in <module>
    import _openmmplumed
ImportError: libgsl.so.25: cannot open shared object file: No such file or directory

I checked and there is a correctly installed libgsl.so.27 in the conda environemnt -- any ideas why it's looking for version 25?

I've attached my environment.yml file below in case that's helpful. environment.yml.txt

peastman commented 4 months ago

No idea. That isn't something that this plugin or OpenMM uses directly. Possibly it's a dependency of PLUMED? Or maybe it's coming in through something completely different, like numpy?

mixarcid commented 4 months ago

Thanks for the quick reply! I ended up solving this by downloading from gsl=2.7.1 to gsl=2.7.0. I have no idea why this helped.