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Soft core force field includes torsions with wildcards #68

Soft core force field includes torsions with wildcards

Soft core force field includes torsions with wildcards #68

Workflow file for this run

name: PDBFixer Continuous Integration Workflow
on:
push:
branches:
- master
pull_request:
branches:
- master
jobs:
build_test:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ["3.10", "3.11", "3.12"]
steps:
- uses: actions/checkout@v2
name: "Checkout the source code"
- uses: conda-incubator/setup-miniconda@v2
name: "Prepare base dependencies"
with:
python-version: ${{ matrix.python-version }}
activate-environment: pdbfixer-dev
environment-file: devtools/environment-dev.yaml
- name: "Install PDBFixer"
shell: bash -l {0}
run: |
which python
python -V
pip install -e .
pytest -vs pdbfixer