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lines changed Original file line number Diff line number Diff line change 1+ This is a short guide to setup a dev environment for mols2grid.
2+
3+ 1 . Install conda or mamba
4+ 2 . Create a new environment. Python 3.7+ (prefer 3.8):
5+ ```
6+ conda env create --name mols2grid --file docs/environment.yml
7+ ```
8+ 3 . Install all the package dependencies in editable mode:
9+ ```
10+ pip install -e .[dev]
11+ ```
12+
13+ To run tests locally:
14+ - Install Firefox (needed for UI testing)
15+ - Test your installation:
16+ ```
17+ pytest tests/
18+ ```
19+ - You can select/skip the UI testing by specifying the ` webdriver ` mark in the pytest
20+ command: ` -m webdriver ` to select UI tests only, or ` -m "not webdriver" ` to skip them.
21+
22+ We use ` black ` and ` isort ` for formatting so either install the corresponding extension
23+ from your IDE or install the package with ` pip install black isort ` . The configuration
24+ is done inside the ` pyproject.toml ` file.
25+
26+ Making a pull request will automatically run the tests and documentation build for you.
27+ Don't forget to update the ` CHANGELOG.md ` file with your changes.
28+
29+ For versioning, you'll have to update both ` package.json ` and ` mols2grid/_version.py `
30+ files.
31+
32+ The build and deployment process is run automatically when making a release on
33+ GitHub.
34+ To make a prerelease, bump the versions accordingly (` X.Y.Z-rc1 ` format) and run
35+ the ` build ` GitHub Action manually.
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