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Added encoding and parsing for TeraChem optimization calculations. #80

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Added encoding and parsing for TeraChem optimization calculations.

Added encoding and parsing for TeraChem optimization calculations. #80

Workflow file for this run

.github/workflows/basic-code-quality.yaml at b26e0a4
name: Basic Code Quality
on: [push]
env:
POETRY_VIRTUALENVS_CREATE: false
jobs:
ruff:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: "3.8"
- name: Install ruff
run: pip install ruff
- name: ruff
run: ruff check .
mypy:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: "3.8"
- name: Install poetry
run: pip install poetry
- name: Install repo
run: poetry install --no-interaction --no-ansi
- name: mypy
run: mypy .
black:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: "3.8"
- name: Install black
run: pip install black
- name: Check code formatting with black
run: black --check .
isort:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: "3.8"
- name: Install poetry
run: pip install poetry
- name: Install repo
run: poetry install --no-interaction --no-ansi
- name: Check import formatting with isort
run: isort --check-only --diff .
detect-secrets:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: "3.8"
- name: Install detect secrets
run: pip install detect-secrets
- name: Look for secrets
run: git ls-files -z | xargs -0 detect-secrets-hook -v
typos:
name: "spell check"
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- uses: crate-ci/typos@master
with:
files: .