Add version change management

.bumpversion.cfg

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+[bumpversion]
+current_version = 2.0.0
+commit = True
+tag = True
+
+[bumpversion:file:setup.py]
+
+[bumpversion:file:molstruct/__init__.py]
+
+[bumpversion:file:tbump.toml]

tbump.toml

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+# Uncomment this if your project is hosted on GitHub:
+# github_url = https://github.com/<user or organization>/<project>/
+
+[version]
+current = "2.0.0"
+
+# Example of a semver regexp.
+# Make sure this matches current_version before
+# using tbump
+regex = '''
+  (?P<major>\d+)
+  \.
+  (?P<minor>\d+)
+  \.
+  (?P<patch>\d+)
+  '''
+
+[git]
+message_template = "Bump to {new_version}"
+tag_template = "v{new_version}"
+
+# For each file to patch, add a [[file]] config section containing
+# the path of the file, relative to the tbump.toml location.
+[[file]]
+src = "setup.py"
+
+[[file]]
+src = "molstruct/__init__.py"
+
+[[file]]
+src = ".bumpversion.cfg"
+
+# You can specify a list of commands to
+# run after the files have been patched
+# and before the git commit is made
+
+#  [[before_commit]]
+#  name = "check changelog"
+#  cmd = "grep -q {new_version} Changelog.rst"
+
+# Or run some commands after the git tag and the branch
+# have been pushed:
+#  [[after_push]]
+#  name = "publish"
+#  cmd = "./publish.sh"