From 42ef839ed6e17f42022d5dd81363446be46200b1 Mon Sep 17 00:00:00 2001 From: Daniel Schwalbe-Koda Date: Tue, 23 Feb 2021 13:35:05 -0500 Subject: [PATCH] resolves issue #3 and clarifies #2 again --- README.md | 20 ++++++++++++++++++-- 1 file changed, 18 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 5800ce6..408b840 100644 --- a/README.md +++ b/README.md @@ -16,7 +16,7 @@ This software requires the following packages: ```bash conda upgrade conda -conda create -n VOID python=3.7 numpy networkx pymatgen>=2020.3.2 scikit-learn -c conda-forge +conda create -n VOID python=3.7 numpy networkx pymatgen scikit-learn -c conda-forge ``` You need to activate the `VOID` environment to install the `VOID` package: @@ -41,7 +41,23 @@ The compilation steps described in the link above have been reproduced using the - python 3.6.8 on a conda 4.7.12 environment - cython 0.29.5 -Please note that there may be differences between the Zeo++ code in the subversion repository and the stable version available for download in [this link](http://www.maciejharanczyk.info/Zeopp/). The code compiles normally when downloading Zeo++ with `svn checkout https://code.lbl.gov/svn/zeo/trunk --username anonsvn`, as described in the `pymatgen` documentation. If you have problems compiling this library, please try contacting the Zeo++ developers. +Please note that there may be differences between the Zeo++ code in the subversion repository and the stable version available for download in [this link](http://www.maciejharanczyk.info/Zeopp/). The code compiles normally when downloading Zeo++ with `svn checkout https://code.lbl.gov/svn/zeo/trunk --username anonsvn`, as described in the `pymatgen` documentation. + +Additionally, Zeo++ code expects the following tree structure: + +``` +. +├── Voro++ +│ └── voro +│ └── trunk +└── Zeo++ + └── zeo + └── trunk +``` + +When checking out the original conde using subversion, you can either move the folders to have that tree structure, or edit `Zeo++/zeo/trunk/Makefile` to include the correct paths in `VOROINCLDIR` and `VOROLINKDIR`. + +If you have problems compiling this library, please try contacting the Zeo++ developers. ## Usage