Enable installation with setuptools

Makefile

@@ -1,7 +1,16 @@
+PACKAGE_NAME = entry_cli
+
+.PHONY: init install uninstall test
+
 init:
 	conda env create -f environment.yml
 
+install:
+	pip install --upgrade pip setuptools
+	pip install -e .
+
 test:
 	nosetests tests
 
-.PHONY: init test
+uninstall:
+	pip uninstall -y $(PACKAGE_NAME)

environment.yml

@@ -1,11 +1,10 @@
 name: entry-cli-env
 channels:
-  - rdkit
-  - conda-forge
   - defaults
 dependencies:
-- python
-- numpy
-- nose
-- openbabel=3.1.1
-- rdkit=2019.03.4.0
+  - python=3.7
+  - numpy
+  - nose
+  - conda-forge::openbabel=3.1.1
+  - rdkit::rdkit=2019.03.4.0
+  - setuptools

pyproject.toml

@@ -0,0 +1,36 @@
+[build-system]
+requires = ["setuptools >= 61.0"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "entry-cli"
+description = "Command line app for predicting bacterial accumulation."
+dynamic = ["version"]
+readme = {file = "README.md", content-type = "text/markdown"}
+license = {file = "LICENSE"}
+authors = [
+    {name = "Bryon Drown"},
+    {name = "swansonk14", email = "[email protected]"},
+    {name = "Andrew Wilkinson"}
+]
+requires-python = ">= 3"
+classifiers = [
+    "Development Status :: 5 - Production/Stable",
+    "Intended Audience :: Science/Research",
+    "Natural Language :: English",
+    "Operating System :: OS Independent",
+    "Programming Language :: Python :: 3",
+]
+keywords = []
+
+[project.urls]
+Repository = "https://github.com/HergenrotherLab/entry-cli"
+
+[project.scripts]
+entry-cli = "entry_cli.calc_props:main"
+
+[tool.setuptools]
+packages = ["entry_cli"]
+
+[tool.setuptools.dynamic]
+version = {attr = "entry_cli.__version__"}

requirements.txt

@@ -4,3 +4,4 @@ nose
 numpy
 openbabel=3.1.1
 rdkit=2019.03.4.0
+setuptools