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Qiskit Nature PySCF Unit Tests #654

Qiskit Nature PySCF Unit Tests

Qiskit Nature PySCF Unit Tests #654

Workflow file for this run

# This code is part of a Qiskit project.
#
# (C) Copyright IBM 2022, 2024.
#
# This code is licensed under the Apache License, Version 2.0. You may
# obtain a copy of this license in the LICENSE.txt file in the root directory
# of this source tree or at http://www.apache.org/licenses/LICENSE-2.0.
#
# Any modifications or derivative works of this code must retain this
# copyright notice, and modified files need to carry a notice indicating
# that they have been altered from the originals.
name: Qiskit Nature PySCF Unit Tests
on:
push:
branches:
- main
- 'stable/**'
pull_request:
branches:
- main
- 'stable/**'
schedule:
# run every day at 2AM
- cron: '0 2 * * *'
concurrency:
group: ${{ github.repository }}-${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}
cancel-in-progress: true
jobs:
Checks:
if: github.repository_owner == 'qiskit-community'
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest]
python-version: [3.8]
steps:
- name: Print Concurrency Group
env:
CONCURRENCY_GROUP: ${{ github.repository }}-${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}
run: |
echo -e "\033[31;1;4mConcurrency Group\033[0m"
echo -e "$CONCURRENCY_GROUP\n"
shell: bash
- uses: actions/checkout@v3
with:
fetch-depth: 0
- uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
cache-dependency-path: |
requirements.txt
requirements-dev.txt
- uses: ./.github/actions/install-main-dependencies
with:
os: ${{ matrix.os }}
python-version: ${{ matrix.python-version }}
if: ${{ !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }}
- uses: ./.github/actions/install-nature-pyscf
with:
os: ${{ matrix.os }}
- name: Install Dependencies
run: |
pip install jupyter qiskit[visualization]
sudo apt-get -y install pandoc graphviz
sudo apt-get -y install python3-enchant
sudo apt-get -y install hunspell-en-us
pip install pyenchant
# append to reno config
echo "earliest_version: 0.1.0" >> releasenotes/config.yaml
shell: bash
- run: pip check
if: ${{ !cancelled() }}
shell: bash
- name: Copyright Check
run: |
python tools/check_copyright.py -check
if: ${{ !cancelled() }}
shell: bash
- run: make spell
if: ${{ !cancelled() }}
shell: bash
- name: Style Check
run: |
make clean_sphinx
make style
if: ${{ !cancelled() }}
shell: bash
- name: Run make html
run: |
make clean_sphinx
make html
cd docs/_build/html
mkdir artifacts
tar -zcvf artifacts/documentation.tar.gz --exclude=./artifacts .
if: ${{ !cancelled() }}
shell: bash
- name: Run upload documentation
uses: actions/upload-artifact@v3
with:
name: documentation
path: docs/_build/html/artifacts/documentation.tar.gz
if: ${{ !cancelled() }}
- run: make doctest
if: ${{ !cancelled() }}
shell: bash
Nature_PySCF:
if: github.repository_owner == 'qiskit-community'
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest]
python-version: [3.8, 3.9, '3.10', 3.11, 3.12]
include:
- os: macos-latest
python-version: 3.8
- os: macos-latest
python-version: 3.12
steps:
- uses: actions/checkout@v3
- uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
cache-dependency-path: |
requirements.txt
requirements-dev.txt
- uses: ./.github/actions/install-main-dependencies
with:
os: ${{ matrix.os }}
python-version: ${{ matrix.python-version }}
qiskit-main: "false"
nature-main: "false"
if: ${{ !startsWith(github.ref, 'refs/heads/stable') && !startsWith(github.base_ref, 'stable/') }}
- uses: ./.github/actions/install-nature-pyscf
with:
os: ${{ matrix.os }}
- name: Run lint
run: |
make lint
shell: bash
- name: Run mypy
run: |
make mypy
if: ${{ !cancelled() }}
shell: bash
- name: Stestr Cache
uses: actions/cache@v3
with:
path: |
.stestr
key: stestr-${{ matrix.os }}-${{ matrix.python-version }}-${{ github.run_id }}-${{ github.run_number }}-${{ github.run_attempt }}
restore-keys: |
stestr-${{ matrix.os }}-${{ matrix.python-version }}-
stestr-${{ matrix.os }}-
if: ${{ !cancelled() }}
- name: Qiskit Nature PySCF Unit Tests under Python ${{ matrix.python-version }}
uses: ./.github/actions/run-tests
with:
os: ${{ matrix.os }}
event-name: ${{ github.event_name }}
run-slow: ${{ contains(github.event.pull_request.labels.*.name, 'run_slow') }}
python-version: ${{ matrix.python-version }}
if: ${{ !cancelled() }}
- name: Deprecation Messages
run: |
mkdir ./ci-artifact-data
python tools/extract_deprecation.py -file out.txt -output ./ci-artifact-data/fin.dep
shell: bash
- name: Coverage combine
run: |
coverage3 combine
mv .coverage ./ci-artifact-data/fin.dat
if: ${{ matrix.os == 'ubuntu-latest' && matrix.python-version == 3.8 }}
shell: bash
- uses: actions/upload-artifact@v3
with:
name: ${{ matrix.os }}-${{ matrix.python-version }}
path: ./ci-artifact-data/*
Deprecation_Messages_and_Coverage:
if: github.repository_owner == 'qiskit-community'
needs: [Checks, Nature_PySCF]
runs-on: ubuntu-latest
strategy:
matrix:
python-version: [3.8]
steps:
- uses: actions/checkout@v3
- uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- uses: actions/download-artifact@v3
with:
name: ubuntu-latest-3.8
path: /tmp/f38
- uses: actions/download-artifact@v3
with:
name: ubuntu-latest-3.9
path: /tmp/f39
- uses: actions/download-artifact@v3
with:
name: ubuntu-latest-3.10
path: /tmp/f310
- uses: actions/download-artifact@v3
with:
name: ubuntu-latest-3.11
path: /tmp/f311
- uses: actions/download-artifact@v3
with:
name: ubuntu-latest-3.12
path: /tmp/f312
- uses: actions/download-artifact@v3
with:
name: macos-latest-3.8
path: /tmp/m38
- uses: actions/download-artifact@v3
with:
name: macos-latest-3.12
path: /tmp/m312
- name: Install Dependencies
run: pip install -U coverage coveralls diff-cover
shell: bash
- name: Combined Deprecation Messages
run: |
sort -f -u /tmp/f38/fin.dep /tmp/f39/fin.dep /tmp/f310/fin.dep /tmp/f311/fin.dep /tmp/f312/fin.dep /tmp/m38/fin.dep /tmp/m312/fin.dep || true
shell: bash
- name: Coverage combine
run: coverage3 combine /tmp/f38/fin.dat
shell: bash
- name: Upload to Coveralls
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
run: coveralls --service=github
shell: bash