gromacs-conda

Anaconda recipe for Gromacs. A very basic build - mainly to prepare files for an MD run on a computer cluster.

Building and uploading to anaconda

conda install conda-build
conda install anaconda-client
anaconda login

#For OSX you'll need to download older compatible SDK
#See here https://conda.io/docs/user-guide/tasks/build-packages/compiler-tools.html

#conda config --add channels conda-forge
conda-build -c conda-forge -c intbio  gromacs_VERSION
anaconda upload path_to_package

Installing from Anaconda cloud

conda install -c conda-forge -c intbio gromacs=2018.3