bse 0.1.4

Basis Set Exchange (BSE) library in Rust for quantum chemistry applications.
Documentation 
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name: CI

permissions:
  contents: read

on:
  push:
    branches: [master]
  pull_request:
    branches: [master]
  workflow_dispatch:

jobs:
  test:
    name: Test
    runs-on: ubuntu-latest

    steps:
      - name: Checkout repository
        uses: actions/checkout@v4

      - name: Install Rust toolchain
        uses: dtolnay/rust-toolchain@stable

      - name: Install Python
        uses: actions/setup-python@v5
        with:
          python-version: "3.x"

      - name: Install basis_set_exchange
        run: pip install basis_set_exchange

      - name: Generate Python reference files
        working-directory: tests/python_ref
        run: |
          for i in *.py; do python "$i"; done

      - name: Run cargo test
        run: cargo test