Pre-commit config and environment setup

[mpatrou]

Pre-commit is enabled and initial fixes applied (EWM5114)

Long description of the changes:

Pre-commit is enabled and fixes are applied. Main changes include:

• add environment.yml, pyproject.toml, .pre-commit-config.yaml
• import order in the files to be; import modules at the top, based on the pre-commit errors
• variable renaming
• bypass the rules in some code areas
• pre-commit automatic changes such as: quotes and space

Currently ipwe is not added in the environment. One test is failing because of that.

Check list for the pull request

• [ ] I have read the [CONTRIBUTING]
• [ ] I have read the [CODE_OF_CONDUCT]
• [ ] I have added tests for my changes
• [ ] I have updated the documentation accordingly

Check list for the reviewer

• [ ] I have read the [CONTRIBUTING]
• [ ] I have verified the proposed changes
• [ ] best software practices
  • [ ] all internal functions have an underbar, as is python standard
  • [ ] clearly named variables (better to be verbose in variable names)
  • [ ] code comments explaining the intent of code blocks
• [ ] All the tests are passing
• [ ] The documentation is up to date
• [ ] code comments added when explaining intent

Manual test for the reviewer

Tests:

• py.test -s --cov=multiphonon tests
• python examples/getdos-Al.py
• python examples/getdos-Al-from-nparrs.py

References