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7 changes: 4 additions & 3 deletions conda-recipes/thermoscreening/meta.yaml
Original file line number Diff line number Diff line change
@@ -1,5 +1,6 @@
{% set name = "ThermoScreening" %}
{% set version = "0.1.0" %}
{% set python_min = "3.12" %}

package:
name: {{ name|lower }}
Expand All @@ -21,20 +22,19 @@ build:

requirements:
host:
- python >=3.12
- python {{ python_min }}
- pip
- setuptools >=42
- setuptools_scm >=8
- wheel
run:
- python >=3.12
- python >={{ python_min }}
- numpy >=1.26
- scipy
- pymatgen-core >=2026.5.18
- beartype
- ase
- rdkit
# Requires the PQAnalysis feedstock (submit that recipe first).
- pqanalysis >=1.3.0

test:
Expand All @@ -46,6 +46,7 @@ test:
- thermo --help
requires:
- pip
- python {{ python_min }}

about:
home: https://github.com/MolarVerse/ThermoScreening
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