Install using the following command:
python -m pip install plumed
WARNING: You will need to also build and install the plumed library (see http://www.plumed.org) and make sure the file libplumedKernel.so (or libplumedKernel.dylib) is available on your system.
You should then make sure the library is found setting the environment variable PLUMED_KERNEL:
export PLUMED_KERNEL=/path/to/libplumedKernel.so python >>> import plumed >>> p=plumed.Plumed()
If you manage multiple plumed versions on your system using tcl environment modules, this should be taken care automatically by the plumed module.
Alternatively, a pure python solution is:
>>> import plumed >>> os.environ["PLUMED_KERNEL"]="/path/to/libplumedKernel.so" >>> p=plumed.Plumed()
Finally, notice that you can set the path to the plumed library directly when declaring a Plumed object:
>>> import plumed >>> p=plumed.Plumed(kernel="/path/to/libplumedKernel.so")
This will allow you to mix different plumed versions in the same python script.
CHANGES: See the PLUMED documentation.
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Release files for plumed 2.10.0
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Release files / plumed-2.10.0.tar.gz
| Download URL | plumed-2.10.0.tar.gz |
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