Use scm for versioning (#33)

* scm

* new line

* __version__

* go back to version file because python3.7

.gitignore

@@ -9,3 +9,4 @@ dist
 .vscode
 venv
 .DS_Store
+**/version.py

Makefile

@@ -65,8 +65,7 @@ coverage: test ## check code coverage quickly with the default Python
 
 
 dist: clean ## builds source and wheel package
-	python setup.py sdist
-	python setup.py bdist_wheel
+	python -m build --sdist --wheel
 	ls -l dist
 
 test-sdist: ## Test source distribution

PTMCMCSampler/__init__.py

@@ -1,8 +1,5 @@
-__version__ = "2.0.0"
-
 from PTMCMCSampler import PTMCMCSampler  # noqa: F401
 
+from .version import version
 
-def test():
-    # Run some tests here
-    print("{0} tests have passed".format(0))
+__version__ = version

README.md

@@ -1,29 +1,32 @@
 # PTMCMCSampler
+
 [![GitHub release (latest by date)](https://img.shields.io/github/v/release/jellis18/PTMCMCSampler)](https://github.com/jellis18/PTMCMCSampler/releases/latest)
 [![PyPI](https://img.shields.io/pypi/v/ptmcmcsampler)](https://pypi.org/project/ptmcmcsampler/)
 [![Conda Version](https://img.shields.io/conda/vn/conda-forge/ptmcmcsampler.svg)](https://anaconda.org/conda-forge/ptmcmcsampler)
 [![GitHub Workflow Status (event)](https://img.shields.io/github/workflow/status/jellis18/PTMCMCSampler/CI%20targets?label=CI%20Tests)](https://github.com/jellis18/PTMCMCSampler/actions/workflows/ci_test.yml)
 
-
 [![DOI](https://zenodo.org/badge/32821232.svg)](https://zenodo.org/badge/latestdoi/32821232)
-[![Python Versions](https://img.shields.io/badge/python-3.6%2C%203.7%2C%203.8%2C%203.9-blue.svg)]()
+[![Python Versions](https://img.shields.io/badge/python-3.7%2C%203.8%2C%203.9%2C%203.10-blue.svg)]()
 [![GitHub license](https://img.shields.io/github/license/Naereen/StrapDown.js.svg)](https://github.com/jellis18/PTMCMCSampler/blob/master/LICENSE)
 
-
 MPI enabled Parallel Tempering MCMC code written in Python.
 
 See the [examples](https://github.com/jellis18/PTMCMCSampler/tree/master/examples) for some simple use cases.
 
 For MPI support you will need A functional MPI 1.x/2.x/3.x implementation like:
-* [MPICH](http://www.mpich.org/) 
+
+- [MPICH](http://www.mpich.org/)
+
   ```bash
   # mac
   brew install mpich
 
   # debian
   sudo apt install mpich
   ```
-* [Open MPI](http://www.open-mpi.org/) 
+
+- [Open MPI](http://www.open-mpi.org/)
+
   ```bash
   # mac
   brew install open-mpi
@@ -32,49 +35,53 @@ For MPI support you will need A functional MPI 1.x/2.x/3.x implementation like:
   sudo apt install libopenmpi-dev
   ```
 
-
 To run with MPI support you can run your script containing a sampler with:
 
 ```bash
 mpirun -np <number of temperature chains> script.py
 ```
+
 This will kick off `np` chains running at different temperatures. The temperature ladder and sampling schemes can be set in the `PTMCMCSampler.sample()` method.
 
 ## Installation
 
 ### Development
+
 For development clone this repo and run:
+
 ```bash
 make init
 source venv/bin/activate
 ```
 
 ### Via pip
+
 ```bash
 pip install ptmcmcsampler
 ```
 
 for MPI support use
+
 ```bash
 pip install ptmcmcsampler[mpi]
 ```
 
 ### Via conda
+
 ```bash
 conda install -c conda-forge ptmcmcsampler
 ```
 
 for MPI support use
+
 ```bash
 conda install -c conda-forge ptmcmcsampler mpi4py
 ```
 
-
-
-
 ## Attribution
 
 If you make use of this code, please cite:
+
 ```
 @misc{justin_ellis_2017_1037579,
   author       = {Justin Ellis and
@@ -88,8 +95,11 @@ If you make use of this code, please cite:
 ```
 
 ### Correlation Length
+
 In order for the sampler to run correctly using `acor` with Python 3 kernels the GitHub version of acor needs to be installed. (Currently the PyPI version is behind the GitHub version.) It can be easily installed with:
+
 ```
 pip install git+https://github.com/dfm/acor.git@master
 ```
+
 > Note that `acor` is not required to run the sampler, it simply calculates the effective chain length for output in the chain file.

pyproject.toml

@@ -27,9 +27,14 @@ exclude = '''
   )/
 )
 '''
+
+[tool.setuptools_scm]
+write_to = "PTMCMCSampler/version.py"
+
 [build-system]
 requires = [
-    "setuptools>=40.8.0",
+    "setuptools>=45",
+    "setuptools_scm[toml]>=6.2",
     "wheel",
 ]
-build-backend = "setuptools.build_meta"
+build-backend = "setuptools.build_meta"

setup.py

@@ -2,7 +2,6 @@
 
 setup(
     name="ptmcmcsampler",
-    version="2.0.0",
     author="Justin A. Ellis",
     author_email="[email protected]",
     packages=["PTMCMCSampler"],