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 -o <org> -b <version>

Example

cheminfo publish -o cheminfo -b major

This will:

• Run the tests
• Bump the version number to the next major
• Update the history file
• Publish on npm
• Add admins from the cheminfo organization to npm owners
• Create documentation and publish it in gh-pages (optional)
• Push the changes to GitHub

generate

Generates a basic project structure based on the giving organization. You need to run the command from the root of the project's directory (previously you had to create it and clone it).

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

The supported organizations and generators are:

• ml
• cheminfo

License

MIT