Update for v1.0.0
{% set name = "autode" %}
-{% set version = "1.0.0b3" %}
+{% set version = "1.0.0" %}
package:
name: {{ name|lower }}
@@ -7,7 +7,7 @@ package:
source:
url: https://github.com/duartegroup/autodE/archive/v{{ version }}.tar.gz
- sha256: 8784d331c2350955a85272172db5a679b28988097b761e054461c87467a39dc9
+ sha256: 9c2b17aa5f34ec039f4a404dcb6491186eea61a2610edb33be848be1a54b2de4
build:
number: 0
@@ -22,11 +22,6 @@ requirements:
- pip
- setuptools
- cython
- - rdkit
- - numpy
- - networkx
- - matplotlib
- - scipy
run:
- python
- rdkit
