Modify `post_fp_cp2k`, adapt to SCF not converged situation. #1872

	name: Python package

	on:
	- push
	- pull_request

	jobs:
	build:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: ["3.9", "3.12"]

	steps:
	- uses: actions/checkout@v4
	- name: Set up Python ${{ matrix.python-version }}
	uses: actions/setup-python@v5
	with:
	python-version: ${{ matrix.python-version }}
	- run: pip install uv
	- name: Install dependencies
	run: uv pip install --system -e .[test]
	- name: Test
	run: coverage run --source=./dpgen -m unittest -v && coverage report
	- uses: codecov/codecov-action@v4
	env:
	CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
	pass:
	needs: [build]
	runs-on: ubuntu-latest
	if: always()
	steps:
	- name: Decide whether the needed jobs succeeded or failed
	uses: re-actors/alls-green@release/v1
	with:
	jobs: ${{ toJSON(needs) }}

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