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Make HOLE conda package for better testing #1429

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orbeckst opened this Issue Jun 24, 2017 · 1 comment

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orbeckst commented Jun 24, 2017

HOLE is now open source: https://github.com/osmart/hole2 under Apache License 2.0.

We should make a conda package to improve testing and to get kudos from the community.

We could even make a library out of it for MUCH better integration (assuming Apache License is compatible with GPL... need to check).

@orbeckst orbeckst added the testing label Jun 24, 2017

@orbeckst orbeckst referenced this issue Jun 24, 2017

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Port topology module #1420

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orbeckst Feb 11, 2018

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I forked hole2 to https://github.com/MDAnalysis/hole2 and made some installation improvements. I don't really know how to make it a conda package. To build one needs a fortran compiler (gfortran works by default, see my INSTALL.md for details)

cd src
make
make PREFIX="$HOME/hole2" install install-opt install-2dmap

(installs everything, most people only need install).

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orbeckst commented Feb 11, 2018

I forked hole2 to https://github.com/MDAnalysis/hole2 and made some installation improvements. I don't really know how to make it a conda package. To build one needs a fortran compiler (gfortran works by default, see my INSTALL.md for details)

cd src
make
make PREFIX="$HOME/hole2" install install-opt install-2dmap

(installs everything, most people only need install).

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