From 9fec40521e1ab437bede49fbff766661016d0132 Mon Sep 17 00:00:00 2001 From: Sebastian Kloth Date: Mon, 24 Jul 2023 11:49:48 +0200 Subject: [PATCH] Exchanged setup.py with pyproject.toml --- mdevaluate/__init__.py | 2 -- pyproject.toml | 13 +++++++++++++ setup.py | 24 ------------------------ 3 files changed, 13 insertions(+), 26 deletions(-) create mode 100644 pyproject.toml delete mode 100644 setup.py diff --git a/mdevaluate/__init__.py b/mdevaluate/__init__.py index 238fa2f..45e22c9 100644 --- a/mdevaluate/__init__.py +++ b/mdevaluate/__init__.py @@ -11,8 +11,6 @@ from . import autosave from . import reader from .logging import logger -__version__ = "23.6" - def open( directory="", diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..820c13d --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,13 @@ +[build-system] +requires = ["setuptools"] +build-backend = "setuptools.build_meta" + +[project] +name = "mdevaluate" +version = "23.7" +dependencies = [ + "mdanalysis", + "pandas", + "dask", + "pathos", +] diff --git a/setup.py b/setup.py deleted file mode 100644 index 3ec602f..0000000 --- a/setup.py +++ /dev/null @@ -1,24 +0,0 @@ -from setuptools import setup - - -def get_version(module): - version = "" - with open(module) as f: - for line in f: - if "__version__" in line: - version = line.split("=")[-1].strip("' \n\t") - break - return version - - -setup( - name="mdevaluate", - description="Collection of python utilities for md simulations", - author_email="sebastian.kloth@pkm.tu-darmstadt.de", - packages=[ - "mdevaluate", - ], - entry_points={"console_scripts": ["index-xtc = mdevaluate.cli:run"]}, - version="23.6", - requires=["mdanalysis", "pandas", "dask", "pathos"], -)