From ea6fbdca7842f21450003731dc5f6ceb51c28620 Mon Sep 17 00:00:00 2001 From: Thomas Heavey Date: Tue, 30 Jan 2018 19:13:39 -0500 Subject: [PATCH] Add install notes for conda and notes about Python 3 --- README.md | 13 ++++++++++++- 1 file changed, 12 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 2675be6..80fa90f 100644 --- a/README.md +++ b/README.md @@ -13,13 +13,16 @@ reactions, though I hope to generalize it more. All simulations have so far been from GROMACS, but with the powerful generality of [MDAnalysis](https://www.mdanalysis.org/), that should not -be a particular constraint for using this software. +be a particular constraint for using the analysis components of this package. This package depends on MDAnalysis, NumPy, pandas, panedr, and gromacswrapper. The dependencies are listed in [requirements.txt](./requirements.txt). Most if not all should be installable with conda. +With recent updates to MDAnalysis, this should now be compatible with Python +2.7 and Python 3.4+. + To install, run: ``` git clone https://github.com/theavey/ParaTemp.git @@ -27,3 +30,11 @@ cd ParaTemp pip install -r requirements.txt python setup.py install ``` +or this should work using conda (based on [this gist]( +https://gist.github.com/luiscape/19d2d73a8c7b59411a2fb73a697f5ed4)): +``` +git clone https://github.com/theavey/ParaTemp.git +cd ParaTemp +conda install --yes --file requirements.txt +python setup.py install +```