kain88-de / mdanalysis-nightly

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About mdanalysis

Home: http://www.mdanalysis.org

Package license: GPLv2

Feedstock license: BSD 3-Clause

Summary: An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.

MDAnalysis is a Python library to analyze trajectories from molecular dynamics (MD) simulations. It can read and write most popular formats, and provides a flexible and fast framework for writing custom analysis through making the underlying data easily available as NumPy arrays.

Nightly Preview builds

This is a repo of conda-build from the current development version of MDAnalysis. The mdanalysis package depends on other packages from the conda-forge channel.

Current build status

Linux: Circle CI OSX: TravisCI

Current release info

Version: Anaconda-Server Badge Downloads: Anaconda-Server Badge

Installing mdanalysis

Installing mdanalysis from the kain88-de channel can be achieved by adding kain88-de to your channels with:

conda config --add channels kain88-de conda-forge

Once the kain88-de and conda-forge channels has been enabled, mdanalysis can be installed with:

conda install mdanalysis

It is possible to list all of the versions of mdanalysis available on your platform with:

conda search mdanalysis --channel kain88-de

Updating mdanalysis-nightly

If you would like to improve the mdanalysis recipe or build a new package version, please fork this repository and submit a PR. Upon submission, your changes will be run on the appropriate platforms to give the reviewer an opportunity to confirm that the changes result in a successful build. Once merged, the recipe will be re-built and uploaded automatically to the kain88-de channel, whereupon the built conda packages will be available for everybody to install and use from the kain88-de channel.

In order to produce a uniquely identifiable distribution:

  • If the version of a package is not being increased, please add or increase the build/number.
  • If the version of a package is being increased, please remember to return the build/number back to 0.

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License:BSD 3-Clause "New" or "Revised" License


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