EasyBlock for OpenMM 6.3

[thiell]

Originally installed with EasyBuild 2.3

[hpcugentbot]

Automatic reply from Jenkins: Can I test this?

[boegel]

Jenkins: ok to test

[hpcugentbot]

Easyblocks unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyblocks-pr-builder/1870/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.

[boegel]

@thiell Is there missing logic to control this?

[boegel]

@thiell: I played around with this a bit, but it doesn't seem to work for me... The configure step is failing with:

CMake Error: The following variables are used in this project, but they are set to NOTFOUND.                                                                                                                                                                               Please set them or make sure they are set and tested correctly in the CMake files:                                                                                                                                                                                         CUDA_CUDA_LIBRARY (ADVANCED)                                                                                                                                                                                                                                                   linked by target "OpenMMCUDA" in directory /tmp/vsc40023/easybuild_build/OpenMM/6.3/foss-2016a/openmm-6.3/platforms/cuda/sharedTarget  

Also, in your OpenMM easyconfig in easybuilders/easybuild-easyconfigs#2798, CUDA is not listed as a dependency, while the easyblock enforces this?
It seems like that could be related to the problem I'm running into.

W.r.t. the style remarks & suggestions: I tackled those myself, see https://github.com/stanford-rc/easybuild-easyblocks/pull/1. If you merge than in, this PR will be updated.

[hpcugentbot]

Easyblocks unit test suite PASSed (see https://jenkins1.ugent.be/job/easybuild-easyblocks-pr-builder/1871/console for more details).

This pull request is now ready for review/testing.

Please try and find someone who can tackle this; contact @boegel if you're not sure what to do.