updated the authors in the MDANSE and MDANSE_GUI packages. updated py…

…project.toml. changed so that dependencies are only in the pyproject file.
ISISNeutronMuon · Mar 25, 2024 · 33de8b9 · 33de8b9
1 parent f6de82b
commit 33de8b9
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Showing 10 changed files with 19 additions and 61 deletions.
diff --git a/MDANSE/AUTHORS b/MDANSE/AUTHORS
@@ -5,12 +5,14 @@ MDANSE project has been created by:
 MDANSE source code is currently developed by
 
 * Eric Pellegrini
+* Maciej Bartkowiak
+* Chi Cheng
 * Sanghamitra Mukhopadhyay
-* Rastislav Turanyi
 
 MDANSE former contributors:
 
 * Bachir Aoun
 * Gael Goret
 * Remi Perenon
+* Rastislav Turanyi
 
diff --git a/MDANSE/MANIFEST.in b/MDANSE/MANIFEST.in
@@ -1,5 +1,4 @@
 include LICENCE
-include requirements.txt
 
 recursive-include Extensions/qhull_lib *.h *c *.pxd
 recursive-include Extensions/xtc *.h *c *.pxd

diff --git a/MDANSE/pyproject.toml b/MDANSE/pyproject.toml
@@ -17,7 +17,7 @@ maintainers = [
   {name = "Sanghamitra Mukhopadhyay", email = "[email protected]"}
 ]
 classifiers = [
-        'Development Status :: 4 - Beta',
+        'Development Status :: 3 - Alpha',
 
         'Intended Audience :: Science/Research',
         'Topic :: Software Development :: Build Tools',
@@ -27,15 +27,13 @@ classifiers = [
         'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)',
         'Operating System :: OS Independent'
 ]
-
 dependencies = [
-  "numpy",
-  "scipy",
-  "h5py",
-  "icecream",
-  "ase",
-  "railroad-diagrams",
-  "rdkit"
+    "numpy",
+    "scipy",
+    "h5py",
+    "icecream",
+    "ase",
+    "rdkit"
 ]
 
 # dynamic = ["version", "description"]

diff --git a/MDANSE/requirements.txt b/MDANSE/requirements.txt
diff --git a/MDANSE/setup.py b/MDANSE/setup.py
@@ -8,8 +8,6 @@
 from setuptools import setup, Extension, find_packages
 from Cython.Distutils import build_ext as cython_build_ext
 
-from pip._internal.req import parse_requirements
-from pip._internal.network.session import PipSession
 from distutils.sysconfig import get_config_vars
 from distutils.util import convert_path
 
@@ -23,13 +21,6 @@
 except ImportError:
     stdeb = None
 
-requirements = []
-
-with open("requirements.txt", "r") as source:
-    for line in source:
-        toks = line.split()
-        if len(toks[0]) > 0:
-            requirements.append(toks[0])
 
 #################################
 # Modules variables
@@ -170,7 +161,6 @@ def find_data(
 #################################
 
 DATA_FILES = []
-DATA_FILES.extend(find_data("Doc", exclude=[], prefix="conf_"))
 
 
 #################################
@@ -393,9 +383,4 @@ class mdanse_build_api(mdanse_build_doc):
     platforms=["Unix", "Windows"],
     ext_modules=EXTENSIONS,
     cmdclass=CMDCLASS,
-    # entry_points     = {"console_scripts": []}
-    install_requires=[
-        pr.requirement
-        for pr in parse_requirements("requirements.txt", session=PipSession())
-    ],
 )
diff --git a/MDANSE_GUI/AUTHORS b/MDANSE_GUI/AUTHORS
@@ -5,12 +5,14 @@ MDANSE project has been created by:
 MDANSE source code is currently developed by
 
 * Eric Pellegrini
+* Maciej Bartkowiak
+* Chi Cheng
 * Sanghamitra Mukhopadhyay
-* Rastislav Turanyi
 
 MDANSE former contributors:
 
 * Bachir Aoun
 * Gael Goret
 * Remi Perenon
+* Rastislav Turanyi
 
diff --git a/MDANSE_GUI/MANIFEST.in b/MDANSE_GUI/MANIFEST.in
@@ -1,5 +1,4 @@
 include LICENSE
-include requirements.txt
 
 recursive-include Src/MDANSE_GUI/Icons *.png
 recursive-include Src/MDANSE_GUI/MolecularViewer/database *.yml

diff --git a/MDANSE_GUI/pyproject.toml b/MDANSE_GUI/pyproject.toml
@@ -28,13 +28,13 @@ classifiers = [
         'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)',
         'Operating System :: OS Independent'
 ]
-
 dependencies = [
-  "qtpy",
-  "vtk",
-  "MDANSE",
-  "PyYAML",
-  "PyQt6"
+    "MDANSE",
+    "matplotlib",
+    "qtpy",
+    "vtk",
+    "PyQt6",
+    "PyYAML",
 ]
 
 # dynamic = ["version", "description"]

diff --git a/MDANSE_GUI/requirements.txt b/MDANSE_GUI/requirements.txt
diff --git a/MDANSE_GUI/setup.py b/MDANSE_GUI/setup.py
@@ -1,14 +1,10 @@
 import fnmatch
-import glob
 import os
 import sys
 
 import numpy
 
 from setuptools import setup, find_packages
-
-from pip._internal.req import parse_requirements
-from pip._internal.network.session import PipSession
 from distutils.sysconfig import get_config_vars
 from distutils.util import convert_path
 
@@ -22,13 +18,6 @@
 except ImportError:
     stdeb = None
 
-requirements = []
-
-with open('requirements.txt', 'r') as source:
-    for line in source:
-        toks = line.split()
-        if len(toks[0]) > 0:
-            requirements.append(toks[0])
 
 #################################
 # Modules variables
@@ -246,6 +235,4 @@ class mdanse_build_api(mdanse_build_doc):
        package_dir={"": "Src"},
        platforms        = ['Unix','Windows'],
        cmdclass         = CMDCLASS,
-       # entry_points     = {"console_scripts": []}
-       install_requires = [pr.requirement for pr in parse_requirements('requirements.txt', session= PipSession())],
     )