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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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Enabling plumed modules with conda install #50

Closed mrjoness closed 3 years ago

mrjoness commented 3 years ago

Hello,

Is it possible to enable a plumed module when installing via conda? For example:

./configure --enable-modules=+piv+annfunc

Or is the cmake route the only option here?

Thanks, Mike

invemichele commented 3 years ago

The idea is to eventually create a plumed-contrib package on conda with all the contributed modules, but it's not here yet (see https://github.com/plumed/plumed2/issues/495)

raimis commented 3 years ago

Or is the cmake route the only option here?

At the moment, it is only option. OpenMM-PLUMED just uses the PLUMED package.

mrjoness commented 3 years ago

thank you!