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Merge pull request #362 from pyiron/dependabot/pip/pylammpsmpi-0.2.26 #485

Merge pull request #362 from pyiron/dependabot/pip/pylammpsmpi-0.2.26

Merge pull request #362 from pyiron/dependabot/pip/pylammpsmpi-0.2.26 #485

Workflow file for this run

name: Coverage
on:
push:
branches: [ main ]
pull_request:
jobs:
build:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Setup environment
shell: bash -l {0}
run: |
cp .ci_support/environment.yml environment.yml
tail --lines=+4 .ci_support/environment-lammps.yml >> environment.yml
tail --lines=+4 .ci_support/environment-qe.yml >> environment.yml
sed -i 's/- scipy =1.13.0/- scipy =1.12.0/g' environment.yml
echo -e "channels:\n - conda-forge\n" > .condarc
- name: Setup Mambaforge
uses: conda-incubator/setup-miniconda@v3
with:
python-version: '3.11'
miniforge-version: latest
condarc-file: .condarc
environment-file: environment.yml
- name: Test
shell: bash -l {0}
timeout-minutes: 30
run: |
pip install versioneer[toml]==0.29
pip install . --no-deps --no-build-isolation
coverage run --omit="atomistics/_version.py,tests/*" -m unittest discover tests
coverage xml
env:
ASE_ESPRESSO_COMMAND: "pw.x -in PREFIX.pwi > PREFIX.pwo"
ESPRESSO_PSEUDO: tests/static/qe
OMPI_MCA_plm: isolated
OMPI_MCA_btl_vader_single_copy_mechanism: none
OMPI_MCA_rmaps_base_oversubscribe: yes
- name: Coveralls
uses: coverallsapp/github-action@v2