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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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fatal error: openmm/Context.h #9

Closed juanmit closed 7 years ago

juanmit commented 7 years ago

Hi Peter, I am trying to install the plugin on my workstation. I already have the openmm7.0.1 installed using conda, and plumed installed separately. However, I always have a fatal error that says "fatal error: openmm/Context.h No such file or directory".

In the configuration file from ccmake, I have tried ~/anaconda/pkgs/openmm-7.0.1-py27_0/include ~/anaconda/pkgs/openmm-7.0.1-py27_0/include/openmm.

And I can see the Context.h file there. Any ideas why? Should I install openMM myself instead of using conda? Thanks a lot for helping.

--Hongbin

peastman commented 7 years ago

What did you set OPENMM_DIR to when you ran CMake? That's how it knows where to find the headers.

juanmit commented 7 years ago

I set it up like

/home/hongbin/anaconda/pkgs/openmm-7.0.1-py27_0/include/openmm

and I can see the Context.h file there.

--Hongbin

peastman commented 7 years ago

Set it to /home/hongbin/anaconda/pkgs/openmm-7.0.1-py27_0. It wants the top level directory where OpenMM is installed.

By the way, the latest version of OpenMM is 7.1.1. I'd definitely recommend upgrading.

juanmit commented 7 years ago

The Path works now. Thanks a lot for helping. I upgraded the openmm as while. :)

--Hongbin