Skip to content

Revise README for PyRod installation instructions #15

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
NDoering99 wants to merge 1 commit into
base: master
Choose a base branch
from
Open

Revise README for PyRod installation instructions #15

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
15 changes: 3 additions & 12 deletions README.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -10,21 +10,12 @@ Open a new terminal and clone this repository
git clone https://github.com/schallerdavid/pyrod.git ~/pyrod
```
#### Install dependencies
PyRod is written in python 3.8 and uses MDAnalysis (>= 0.19.0, is shipped with NumPy and SciPy), NumPy and SciPy which can be easily installed using pip:
PyRod is written in Python 3.8 and relies on MDAnalysis (version >= 0.19.0, which includes NumPy and SciPy), as well as NumPy and SciPy themselves. All dependencies can be easily installed alongside PyRod using pip from within the PyRod directory:
```bash
pip3 install --upgrade MDAnalysis
cd PATH/TO/pyrod
```
or
```bash
python3 -m pip install --upgrade MDAnalysis
```
You can also use conda to install all dependencies:
```bash
conda create -n pyrod -c conda-forge mdanalysis python=3.8
```
#### Create alias for your bash
```bash
echo 'alias pyrod="python3 ~/pyrod/pyrod.py"' >> ~/.bashrc
pip install .
```
## Run PyRod
#### Load conda environment (optional)
Expand Down