Refactor package

.coveragerc

@@ -0,0 +1,16 @@
+[run]
+include = src/*
+parallel = 1
+branch = 1
+
+[paths]
+source = src/
+
+[report]
+skip_covered = True
+show_missing = True
+exclude_lines =
+    \#\s*pragma: no cover
+    ^\s*assert False(,|$)
+    if typing.TYPE_CHECKING:
+    ^\s*@overload( |$)

.pre-commit-config.yaml

@@ -0,0 +1,70 @@
+repos:
+- repo: https://github.com/pre-commit/pre-commit-hooks
+  rev: v4.0.1
+  hooks:
+  - id: check-yaml
+  - id: fix-encoding-pragma
+    args:
+    - --remove
+  - id: end-of-file-fixer
+  - id: trailing-whitespace
+- repo: https://github.com/myint/autoflake
+  rev: v1.4
+  hooks:
+  - id: autoflake
+    args:
+    - --in-place
+    - --remove-all-unused-imports
+    - --remove-unused-variable
+    - --ignore-init-module-imports
+- repo: https://github.com/psf/black
+  rev: 21.5b1
+  hooks:
+  - id: black
+- repo: https://github.com/asottile/blacken-docs
+  rev: v1.10.0
+  hooks:
+  - id: blacken-docs
+    additional_dependencies: [black==21.5b0]
+    exclude: README.md
+- repo: https://github.com/pycqa/isort
+  rev: 5.8.0
+  hooks:
+  - id: isort
+    name: isort (python)
+    args:
+    - --profile=black
+- repo: https://gitlab.com/pycqa/flake8
+  rev: 3.9.2
+  hooks:
+  - id: flake8
+    files: ^src/
+    args:
+    - --max-line-length=125
+    - --extend-ignore=E203,W503,F401,RST21
+    - --min-python-version=3.6.0
+    - --docstring-convention=numpy
+    - --rst-roles=class,func,ref,obj
+    language_version: python3
+    additional_dependencies:
+    - flake8-typing-imports==1.10.1
+    - flake8-docstrings==1.6.0
+    - flake8-rst-docstrings==0.2.3
+    - flake8-rst==0.8.0
+- repo: https://github.com/pre-commit/pygrep-hooks
+  rev: v1.8.0
+  hooks:
+  - id: python-use-type-annotations
+  - id: rst-backticks
+  - id: rst-directive-colons
+  - id: rst-inline-touching-normal
+- repo: https://github.com/pre-commit/mirrors-mypy
+  rev: v0.812
+  hooks:
+  - id: mypy
+    files: ^src/
+    args:
+    - --no-strict-optional
+    - --ignore-missing-imports
+    additional_dependencies:
+    - tokenize-rt==4.1.0

LICENSE

@@ -43,4 +43,4 @@ for such Enhancements, then you hereby grant the following license:
 a  non-exclusive, royalty-free perpetual license to install, use,
 modify, prepare derivative works, incorporate into other computer
 software, distribute, and sublicense such enhancements or derivative
-works thereof, in binary and source code form.
+works thereof, in binary and source code form.

README.md

@@ -1 +1 @@
-# atomate2
+# atomate2