From edc3f063eab503e3532eeba5b6e5983f7e6f28c4 Mon Sep 17 00:00:00 2001 From: Applencourt Date: Wed, 19 Nov 2014 17:31:00 +0100 Subject: [PATCH] Update README.md --- README.md | 13 ++++++++++--- 1 file changed, 10 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 0814ffd..b225ed6 100644 --- a/README.md +++ b/README.md @@ -8,6 +8,16 @@ Create of Local Copy of the famous [EMSL Basis Set Exchange](https://bse.pnl.gov * Quick local access without delay ; * Only need [Python](https://www.python.org/) and [Request](http://docs.python-requests.org/en/latest/) module. +##Dependancy +* Python >2.6 +* Request ```pip install requests``` + +##Installation +* Download the git (```$ git clone https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local.git``` for example) +* ```cd``` into & run ```$ ./setup.py``` +* ```source EMSL_api.rc``` +* Done ! You can now, use ```EMSL_api.py``` or use all the python fonction inside ```./src``` + ##Usage ``` EMSL Api. @@ -28,9 +38,6 @@ Options: is the path to the SQLite3 file containing the Basis sets. ``` -##Dependancy -* Python >2.6 -* Request ```$ pip install requests``` ##To do For now we can only parse Gaussian-US basis set type file. (Look at ```./src/EMSL_utility.py#EMSL_dump.basis_data_row_to_array```)