Geometric: Entry points and pin_compatible
{% set name = "geomeTRIC" %}
{% set version = "0.8.8" %}
-
-# openssl sha256 filename
{% set sha256 = "45ebea62a43045acd71d41516d732cb76bf65d760571a30454d4ff252dc1e10a" %}
package:
@@ -17,6 +15,8 @@ build:
noarch: python
number: 0
script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv"
+ entry_points:
+ - geometric-optimize = geometric.optimize:main
requirements:
build:
@@ -24,7 +24,7 @@ requirements:
- setuptools
- pip
run:
- - numpy>=1.11
+ - {{ pin_compatible('numpy', min_pin='1.11') }}
- python
- networkx
- six
@@ -45,8 +45,6 @@ about:
license_file: LICENSE
summary: 'Molecular geometry optimizer in the TRIC coordinate system.'
-# description: |
-# doc_url: http://simplejson.readthedocs.io/
dev_url: http://github.com/leeping/geomeTRIC/
extra:
