geometric-pyo3 0.1.2

PyO3 (Rust) interface to geomeTRIC (molecular structure geometry optimization program)
Documentation 
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name: test

on:
  push:
    branches: [main]
  pull_request:
    branches: [main]

jobs:
  test-from-miniconda:
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      - uses: conda-incubator/setup-miniconda@v3
      - name: run tests directly
        run: |
          conda init
          source $HOME/.bashrc
          conda activate
          conda install geometric -c conda-forge
          export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/share/miniconda/lib
          cargo test --examples