Merge pull request #53 from jag1g13/dev

Rename `master` branch to `main`

Author: jag1g13

.github/workflows/python-package.yml

@@ -5,9 +5,9 @@ name: Python package
 
 on:
   push:
-    branches: [ master, dev ]
+    branches: [ main, dev ]
   pull_request:
-    branches: [ master, dev ]
+    branches: [ main, dev ]
 
 jobs:
   build:
@@ -42,10 +42,9 @@ jobs:
         # This path is specific to Ubuntu
         path: ${{ steps.pip-cache.outputs.dir }}
         # Look to see if there is a cache hit for the corresponding requirements file
-        key: ${{ runner.os }}-pip-${{ hashFiles('pyproject.toml') }}
+        key: ${{ runner.os }}-${{ matrix.python-version }}-pip-${{ hashFiles('pyproject.toml') }}
         restore-keys: |
-          ${{ runner.os }}-pip-
-          ${{ runner.os }}-    
+          ${{ runner.os }}-${{ matrix.python-version }}-pip-
 
     - name: Install dependencies
       run: |

CHANGELOG.md

@@ -2,6 +2,8 @@
 
 All notable changes to this project will be documented in this file. See [standard-version](https://github.com/conventional-changelog/standard-version) for commit guidelines.
 
+## [2.0.0](https://github.com/jag1g13/pycgtool/compare/v2.0.0-beta.5...v2.0.0) (2022-03-16)
+
 ## [2.0.0-beta.5](https://github.com/jag1g13/pycgtool/compare/v1.0.2...v2.0.0-beta.5) (2021-11-14)
 
 

README.md

@@ -64,13 +64,13 @@ Input to PyCGTOOL is an atomistic simulation trajectory in the form of a topolog
 These files provide the atomistic-to-CG mapping and bonded topology respectively and use a format similar to GROMACS `.itp` files.
 Topology and trajectory files are processed using [MDTraj](https://www.mdtraj.org) so most common formats are accepted.
 
-Example mapping and bond files are present in the [test/data](https://github.com/jag1g13/pycgtool/tree/master/test/data) directory.
+Example mapping and bond files are present in the [test/data](https://github.com/jag1g13/pycgtool/tree/main/test/data) directory.
 The format of these files is described fully in the [documentation page on file formats](https://pycgtool.readthedocs.io/en/dev/file-formats.html).
 
-For more information, see [the tutorial](https://pycgtool.readthedocs.io/en/master/tutorial.html).
+For more information, see [the tutorial](https://pycgtool.readthedocs.io/en/main/tutorial.html).
 It is important to perform validation of any new parameter set - a brief example is present at the end of the tutorial.
 
-For a full list of options, see the [documentation](https://pycgtool.readthedocs.io/en/master/index.html) or use:
+For a full list of options, see the [documentation](https://pycgtool.readthedocs.io/en/main/index.html) or use:
 ```
 pycgtool -h
 ```

pyproject.toml

@@ -1,14 +1,14 @@
 [tool.poetry]
 name = "pycgtool"
-version = "2.0.0-beta.5"
+version = "2.0.0"
 description = "Generate coarse-grained molecular dynamics models from atomistic trajectories."
 authors = ["James Graham <j.graham@soton.ac.uk>"]
 license = "GPL-3.0-only"
 
 readme = "README.md"
 homepage = "https://github.com/jag1g13/pycgtool"
 repository = "https://github.com/jag1g13/pycgtool"
-documentation = "https://pycgtool.readthedocs.io/en/master/"
+documentation = "https://pycgtool.readthedocs.io/en/main/"
 
 keywords = [
     "molecular-dynamics",