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Implement structure optimization protocol #22

Implement structure optimization protocol

Implement structure optimization protocol #22

name: Siesta Unittest Linux 3.11
on:
push:
branches: [ main ]
pull_request:
branches: [ main ]
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
CODACY_PROJECT_TOKEN: ${{ secrets.CODACY_PROJECT_TOKEN }}
jobs:
build:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: Merge Notebook environment
run: |
python .ci_support/condamerge.py --base .ci_support/environment.yml --add .ci_support/environment-siesta.yml > environment.yml
- name: Setup Mambaforge
uses: conda-incubator/setup-miniconda@v2
with:
python-version: '3.11'
miniforge-variant: Mambaforge
channels: conda-forge
channel-priority: strict
activate-environment: my-env
use-mamba: true
- name: Update environment
run: mamba env update -n my-env -f environment.yml
- name: Setup
shell: bash -l {0}
run: |
pip install --no-deps .
- name: Test
shell: bash -l {0}
timeout-minutes: 30
run: python -m unittest tests/test_evcurve_siesta.py