Skip to content
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

Jump to bottom

upf_to_json python package #9862

Merged
merged 5 commits into from
Oct 25, 2019
Merged

upf_to_json python package #9862

Changes from 3 commits
Commits
Show all changes
5 commits
Select commit Hold shift + click to select a range
94ce176
upf_to_json python package
simonpintarelli Oct 15, 2019
139d747
update description
simonpintarelli Oct 15, 2019
44f31d1
fix recipe
simonpintarelli Oct 15, 2019
e17c2b7
add license file
simonpintarelli Oct 15, 2019
20db59f
correct license
simonpintarelli Oct 25, 2019
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
44 changes: 44 additions & 0 deletions recipes/upf_to_json/meta.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,44 @@
{% set name = "upf_to_json" %}
{% set version = "0.9.0" %}

package:
name: {{ name|lower }}
version: {{ version }}

source:
url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
sha256: e5702ddb121477cf44c7ae4e713b526c26c0326fdaa3ca30fe1fc2d140f5e3ef

build:
noarch: python
number: 0
script: "{{ PYTHON }} -m pip install . -vv"

requirements:
host:
- python
- pip
run:
- python

test:
imports:
- upf_to_json

about:
home: https://github.com/simonpintarelli/upf_to_json
license: BSD
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Which version of BSD is this? eg BSD-3-Clause?

Copy link
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Yes, it is BSD-3-Clause, I've corrected it.

license_family: BSD
scopatz marked this conversation as resolved.
Show resolved Hide resolved
summary: 'Unified Pseudopotential Format to JSON converter for Python'

description: |
UPF is a file format to describe atomic pseudo-potentials used by (DFT) density
functional theory codes. This package provides scripts for converting UPF v1 and
UPF v2 (Unified Pseudopotential Format) to json format as required by the SIRIUS
DFT library SIRIUS <https://github.com/electronic-structure/SIRIUS>.

dev_url: https://github.com/simonpintarelli/upf_to_json

extra:
recipe-maintainers:
- simonpintarelli