Update install and meta

.github/workflows/python-test.yml

@@ -12,7 +12,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest, windows-latest]
-        python-version: [3.8, 3.9, '3.10', 3.11]
+        python-version: ['3.10', 3.11, 3.12]
 
     steps:
     - uses: actions/checkout@v4

CONTRIBUTORS

@@ -1,5 +1,6 @@
 Maintainers (alphabetical by last name)
-  Blaise Thompson <blaise@untzag.com> (@untzag)
+  Daniel Kohler (@ddkohler)
 
 Contributors (alphabetical by last name)
-  Daniel Kohler (@p770193)
+  Kyle Sunden (@ksunden)
+  Blaise Thompson <blaise@untzag.com> (@untzag)

README.rst → README.md

@@ -1,41 +1,35 @@
-WrightSim
-=========
+# WrightSim
+
 A simulation package for multidimensional spectroscopy.
 
 
-Installation
-------------
+## Installation
 
-.. code-block:: bash
-
+```
     $ git clone https://github.com/wright-group/WrightSim
     $ cd WrightSim
-    $ python setup.py develop
-
-Note: This will install all required dependencies.
-PyCUDA is not a required dependency in general, but is required if GPU simulations are desired.
-
-.. code-block:: bash
+    $ python -m pip install -e .
+```
 
-    $ pip install pycuda
+* This will install all required dependencies. Use ``--no-deps`` flag to only install the package.
+* PyCUDA is not a required dependency in general, but is required if GPU simulations are desired:
+` $ pip install pycuda`
+PyCUDA requires an Nvidia graphics card and drivers, and the CUDA libraries installed.
 
-PyCUDA requires an Nvida graphics card and drivers, and the CUDA libraries installed.
+## Usage
 
-Usage
------
-
-An example script is provided at ``./scripts/target.py``
+An example script is provided at `./scripts/target.py`
 
 This script can be modified to suit an individual simulation.
 
 The basic steps are:
 
-#. Select an experiment
-#. Set up the axes of the scan
-#. Set the time interfal and buffers
-#. Create a Hamiltonian object
-#. Run the scan
-#. (optional) review the results
+1. Select an experiment
+2. Set up the axes of the scan
+3. Set the time interval and buffers
+4. Create a Hamiltonian object
+5. Run the scan
+6. (optional) review the results
 
 Level of parallelism is selected by the ``mp`` parameter of teh ``exp.run`` method.
 
@@ -44,13 +38,11 @@ Level of parallelism is selected by the ``mp`` parameter of teh ``exp.run`` meth
 - ``False`` or ``""`` runs in single threaded mode
 
 
-The script is set up to read the dimensions from arguments.
-it can be run like so:
-
-.. code-block:: bash
-
+The script is set up to read the dimensions from arguments;
+it can be run like so:    
+```
     $ ./target.py 32 16
-
+```
 
 This will run a 3D simulation of 32x32x16 Freq-Freq-Delay.
 

WrightSim/__version__.py

@@ -7,8 +7,7 @@
 __all__ = ["__version__", "__branch__"]
 
 # read from VERSION file
-with __here__ / "VERSION" as f:
-    __version__ = f.read_text().strip()
+__version__ = (__here__ / "VERSION").read_text().strip()
 
 # add git branch, if appropriate
 p = __here__.parent / ".git" / "HEAD"

pyproject.toml

@@ -0,0 +1,3 @@
+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"

setup.py

@@ -3,12 +3,18 @@
 import pathlib
 from setuptools import setup, find_packages
 
+
 __here__ = pathlib.Path(__file__).parent
 
+
+def read(path):
+    with open(path) as f:
+        return f.read()
+
+
 extra_files = {"WrightSim": ["VERSION"]}
+version = read(__here__ / "WrightSim" / "VERSION").strip()
 
-with __here__ / "WrightSim" / "VERSION" as version_file:
-    version = version_file.read_text().strip()
 
 setup(
     name="WrightSim",
@@ -33,6 +39,8 @@
     },
     version=version,
     description="A simulation package for multidimensional spectroscopy.",
+    long_description=read(__here__ / "README.md"),
+    long_description_content_type="text/markdown",
     author="WrightSim Developers",
     license="MIT",
     url="https://github.com/wright-group/WrightSim",
@@ -43,8 +51,9 @@
         "License :: OSI Approved :: MIT License",
         "Natural Language :: English",
         "Programming Language :: Python :: 3",
-        "Programming Language :: Python :: 3.5",
-        "Programming Language :: Python :: 3.6",
+        "Programming Language :: Python :: 3.10",
+        "Programming Language :: Python :: 3.11",
+        "Programming Language :: Python :: 3.12",
         "Topic :: Scientific/Engineering",
     ],
 )