Update executable script name.

Changed script name to propka3 based on https://github.com/jensengroup/propka-3.1/pull/61#discussion_r442326049

Updated additional information in setup.py

README.md

@@ -45,7 +45,7 @@ Installation is also possible with
 
     python setup.py install --user
 
-will install the `propka32` script in your executable directory,
+will install the `propka3` script in your executable directory,
 as configured for setuptools, for instance `~/.local/bin` while
 
     python setup.py install --user --install-scripts ~/bin
@@ -56,7 +56,7 @@ will install the script in the `bin` subdirectory of your home directory.
 
 PROPKA can be used either as a module or via the installed script; i.e., either
 
-    propka32
+    propka3
 
 or
 
@@ -66,15 +66,15 @@ works for invoking PROPKA.
 
 A brief list of available options can be obtained by running PROPKA with no options:
 
-    propka32
+    propka3
 
 A longer list of options and descriptions is available using the `--help` option:
 
-    propka32 --help
+    propka3 --help
 
 Most users run PROPKA by invoking the program with a PDB file as its argument; e.g.,
 
-    propka32 1hpx.pdb
+    propka3 1hpx.pdb
 
 ## Testing (for developers)
 

scripts/propka3.py

@@ -3,12 +3,12 @@
 
 This is the original propka script. However, this distribute-based
 installation moved the main() function into propka.run.main and just
-generates a script called `propka32` from the setup.py installation
+generates a script called `propka3` from the setup.py installation
 script. You should not need to use this script.
 
 (Also note that there can be import problems because the script name
 is the same as the module name; that's why the new script is called
-`propka32`.)
+`propka3`.)
 """
 from propka.lib import loadOptions
 from propka.input import read_parameter_file, read_molecule_file

setup.py

@@ -6,7 +6,7 @@ from setuptools import setup, find_packages
 VERSION = "3.2.0"
 
 setup(
-    name="PROPKA",
+    name="propka",
     version=VERSION,
     description="Heuristic pKa calculations with ligands", long_description="""
 PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and
@@ -31,6 +31,8 @@ See http://propka.org/ for the PROPKA web server.
 """,
     author="Jan H. Jensen",
     author_email="jhjensen@chem.ku.dk",
+    maintainer="Nathan Baker",
+    maintainer_email="nathanandrewbaker@gmail.com",
     license="LGPL v2.1",
     url="http://propka.org",
     keywords="science",
@@ -45,9 +47,9 @@ See http://propka.org/ for the PROPKA web server.
         ],
     packages=find_packages(exclude=['scripts']),
     package_data={'propka': ['*.dat', '*.cfg', '*.json']},
-    entry_points={'console_scripts': ['propka32 = propka.run:main', ]},
+    entry_points={'console_scripts': ['propka3 = propka.run:main', ]},
     zip_safe=True,
     python_requires='>=3.5',
-    tests_require=["pandas", "numpy"],
+    tests_require=["pandas", "numpy", "pytest"],
     test_suite="tests",
     )