From 3fcfcef6614389ab7b9654cd506bd3226b52816f Mon Sep 17 00:00:00 2001 From: Wout Date: Tue, 10 Sep 2019 13:48:49 -0700 Subject: [PATCH] Include information on pip-based installation Fixes #7 --- README.md | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/README.md b/README.md index 1eabc49..ea0e010 100644 --- a/README.md +++ b/README.md @@ -41,6 +41,22 @@ Efficient MS/MS spectrum processing and visualization in Python. Missing dependencies will be automatically installed when you install `spectrum_utils`. +### Alternative installation options + +The recommended way to install `spectrum_utils` is using conda. Alternatively `spectrum_utils` can also be installed using pip: + +```pip install spectrum_utils``` + +To install the basic `spectrum_utils` version. Or: + +```pip install spectrum_utils[iplot]``` + +To include the interactive plotting functionality (requires Pandas and Altair). + +When installing using pip it is recommended to explicitly install any dependencies (listed above or in the [environment file](environment.yml)) in advance. Any missing dependencies will be automatically installed from PyPI when you install `spectrum_utils`, _except_ RDKit. Please refer to the [RDKit installation notes](https://www.rdkit.org/docs/Install.html) for information on how to install RDKit. + +In contrast, when installing `spectrum_utils` using conda all dependencies will be automatically installed, including RDKit. + ## Example ```