cheminfo-tools

cheminfo-tools

CLI tools to help cheminfo developers

Installation

$ npm install -g cheminfo-tools

This will add a new cheminfo command to your system.

Sub-commands

build

Make a browser build using webpack

options

• -c, --cwd: directory of the project to build. Default: current working directory
• -o, --out: directory where to put the build files. Default: dist
• -n, --out-name: name of the output file. Default: name of npm package or bundle
• -r, --root: root name of the library. Default: name of npm package (camelCase)
• -e, --entry: entry point of the library. Default: main field of npm package or index.js
• -b, --babel: enable babel loader for ES6 features
• -u, --no-uglify: disable generation of min file and source map
• -v, --verbose: output warnings if any

publish

Test, bump and publish a project on npm.
You need to run the command from the root of the project's directory. It is only for npm-only packages. Please use the GRM for browser packages.

Usage: cheminfo publish <version> <org>

Example

cheminfo publish major cheminfo

This will:

• Run the tests
• Bump the version number to the next major
• Publish on npm
• Add admins from the cheminfo organization to npm owners
• Push the changes to GitHub

generate

Generates a basic project structure based in the giving organization (see generator-mljs-packages). You need to run the command from the root of the project's directory.

Usage: cheminfo generate <org>

Example

cheminfo generate ml

The generator will prompt for the next fields:

• Your project name: the package name, without the ml- start
• Your name: your NPM name
• Your package description: A description to show in NPM
• Your package version: The package version. The default value is 0.0.1
• Run NPM install?: Run npm install after the template generation

When the generator finish there will be the following files:

.
├── .eslintrc.yml
├── .gitignore
├── .travis.yml
├── History.md
├── LICENSE
├── README.md
├── package.json
├── src
│   └── index.js
└── test
    └── test.js

License

MIT