search

openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
55 stars 23 forks source link

Add installation instructions for conda forge #44

Closed jaimergp closed 3 years ago

jaimergp commented 3 years ago

Will close https://github.com/openmm/openmm-plumed/issues/6

raimis commented 3 years ago

@jaimergp is this finished?

jaimergp commented 3 years ago

I tested on Linux and it works. It'd be nice to check if MacOS works as expected too:

conda create -n openmm-plumed-test -c conda-forge openmm-plumed
conda activate openmm-plumed-test
python -c "import openmmplumed"  # should return nothing
$CONDA_PREFIX/share/openmm-plumed/tests/TestReferencePlumedForce
tonigi commented 3 years ago

It seems to work on MacOS too :) [Tested on Big Sur x86 according to the instructions. I would be surprised if it's using any acceleration]

raimis commented 3 years ago

I think, we can merge this.

jaimergp commented 3 years ago

@peastman Ready to merge :)