From a316f42d77f97c8a791db1c43eb0dabf204e983d Mon Sep 17 00:00:00 2001
From: Noam Bernstein <noam.bernstein@nrl.navy.mil>
Date: Sat, 18 May 2024 20:19:21 -0400
Subject: [PATCH] setup.py -> pyproject.toml

---
 pyproject.toml | 18 ++++++++++++++++++
 setup.py       | 18 ------------------
 2 files changed, 18 insertions(+), 18 deletions(-)
 create mode 100644 pyproject.toml
 delete mode 100644 setup.py

diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 00000000..70ba1859
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,18 @@
+[project]
+
+name = "wfl"
+version = "0.2.6"
+requires-python = ">=3.9"
+dependencies = [ "click>=7.0", "numpy", "ase>=3.23", "pyyaml", "spglib",
+                 "docstring_parser", "expyre-wfl", "universalSOAP" ]
+readme = "README.md"
+license = { file = "LICENSE" }
+
+[project.scripts]
+    wfl = "wfl.cli.cli:cli"
+    gap_rss_iter_fit = "wfl.cli.gap_rss_iter_fit:cli"
+    dft_convergence_test = "wfl.cli.dft_convergence_test:cli"
+    reactions_iter_fit = "wfl.cli.reactions_iter_fit:cli"
+
+[tool.setuptools.packages.find]
+    exclude = [ "test*" ]
diff --git a/setup.py b/setup.py
deleted file mode 100644
index 8caa245b..00000000
--- a/setup.py
+++ /dev/null
@@ -1,18 +0,0 @@
-import setuptools
-
-setuptools.setup(
-    name="wfl",
-    version="0.2.5",
-    long_description=open("README.md").read(),
-    long_description_content_type="text/markdown",
-    packages=setuptools.find_packages(exclude=["tests"]),
-    install_requires=["click>=7.0", "numpy", "ase>=3.22.1", "pyyaml", "spglib", "docstring_parser",
-                      "expyre-wfl", "universalSOAP"],
-    entry_points="""
-    [console_scripts]
-    wfl=wfl.cli.cli:cli
-    gap_rss_iter_fit=wfl.cli.gap_rss_iter_fit:cli
-    dft_convergence_test=wfl.cli.dft_convergence_test:cli
-    reactions_iter_fit=wfl.cli.reactions_iter_fit:cli
-    """
-)