Skip to content

Commit

Permalink
Include information on pip-based installation
Browse files Browse the repository at this point in the history
Fixes #7
  • Loading branch information
bittremieux committed Sep 10, 2019
1 parent 96d9233 commit 3fcfcef
Showing 1 changed file with 16 additions and 0 deletions.
16 changes: 16 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -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

```
Expand Down

0 comments on commit 3fcfcef

Please sign in to comment.