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- version bump

- version bump #23

Workflow file for this run

name: Small Benchmarks
on:
push:
paths:
- 'pysipfenn/descriptorDefinitions/**'
- '.github/workflows/benchmarks.yaml'
workflow_dispatch:
jobs:
benchmark:
strategy:
matrix:
python-version: ["3.9", "3.10", "3.11"]
fail-fast: false
runs-on: ubuntu-22.04
steps:
- uses: actions/checkout@v4
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
cache-dependency-path: 'pyproject.toml'
- name: Install dependencies
run: |
python -m pip install --upgrade pip
python -m pip install --upgrade setuptools
python -m pip install wheel flask
python -m pip install -e .
- name: Benchmark KS2022
run: python -c "from pysipfenn.descriptorDefinitions import KS2022; KS2022.profile(test='JVASP-10001', nRuns=100); KS2022.profile(test='diluteNiAlloy', nRuns=100)"
- name: Benchmark Ward2017
run: python -c "from pysipfenn.descriptorDefinitions import Ward2017; Ward2017.profile(test='JVASP-10001', nRuns=100); Ward2017.profile(test='diluteNiAlloy', nRuns=100)"
- name: Benchmark KS2022 dilute featurizer
run: python -c "from pysipfenn.descriptorDefinitions import KS2022_dilute; KS2022_dilute.profile(test='diluteNiAlloy', nRuns=250)"