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Updated DIP-EOMCCSD(T)(a)(4h-2p) method using T3 = D3*(V*T2)|0> (with… #459

Updated DIP-EOMCCSD(T)(a)(4h-2p) method using T3 = D3*(V*T2)|0> (with…

Updated DIP-EOMCCSD(T)(a)(4h-2p) method using T3 = D3*(V*T2)|0> (with… #459

Workflow file for this run

name: Tests
on:
push:
branches: [ main ]
pull_request:
branches: [ main ]
jobs:
build-and-test:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ["3.10", "3.11", "3.12"]
steps:
- uses: actions/cache@v3
with:
path: ~/.cache/pip
key: ${{ runner.os }}-pip-${{ hashFiles('requirements-dev.txt') }}
restore-keys: |
${{ runner.os }}-pip-
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- name: Install fortran
run: |
sudo apt install -y gfortran meson libopenblas-dev
- name: Install python dependencies
run: |
python -m pip install --upgrade pip
pip install -r requirements-dev.txt
- name: Install ccpy
run: |
python -m pip install --verbose --no-build-isolation --editable .
- name: Short test
run: |
pytest tests -v -m short
if: github.event_name == 'pull_request'
- name: Full test
run: |
pytest tests -v
if: github.event_name != 'pull_request'