Release/1.0.0b17 (#204)

.github/workflows/ci.yml

@@ -20,15 +20,7 @@ jobs:
       with:
         python-version: 3.8
 
-    - name: Install dependencies
-      run: |
-        python -m pip install $(python -c '\
-          import json;\
-          setup_json = json.load(open("setup.json"));\
-          print(" ".join(setup_json["extras_require"]["pre-commit"]))')
-
-    - name: Run pre-commit
-      run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
+    - uses: pre-commit/action@v2.0.0
 
   test-app:
 

MANIFEST.in

@@ -1,3 +1,2 @@
 include LICENSE.txt
 include metadata.json
-include setup.json

aiidalab_widgets_base/__init__.py

@@ -80,4 +80,4 @@
     "viewer",
 ]
 
-__version__ = "1.0.0b16"
+__version__ = "1.0.0b17"

metadata.json

@@ -6,18 +6,18 @@
     "state": "stable",
     "requires": {
       "~=1.0b": [
-            "aiida-core>=1.0.0,<2.0.0",
-            "ase",
-            "bokeh",
-            "fileupload",
-            "ipytree",
-            "ipywidgets",
-            "more_itertools",
-            "nglview",
-            "numpy",
-            "optimade-client",
-            "pandas",
-            "scikit-learn"
+            "aiida-core~=1.0",
+            "ase<3.20",
+            "bokeh~=2.0",
+            "ipytree~=0.2",
+            "ipywidgets~=7.6",
+            "more_itertools~=8.0",
+            "nglview~=3.0",
+            "numpy~=1.17",
+            "optimade-client==2021.5.7",
+            "pandas~=1.0",
+            "scikit-learn~=0.24",
+            "vapory~=0.1.2"
         ]
     }
 }

setup.cfg

@@ -1,3 +1,50 @@
+[metadata]
+name = aiidalab-widgets-base
+version = attr: aiidalab_widgets_base.__version__
+description = Reusable widgets for AiiDAlab applications.
+long_description = file: README.md
+long_description_content_type = text/markdown
+url = https://github.com/aiidalab/aiidalab-widgets-base
+author = The AiiDAlab team
+author_email = aiidalab@materialscloud.org
+license = MIT
+license_file = LICENSE
+classifiers =
+    Development Status :: 4 - Beta
+    Framework :: AiiDA
+    License :: OSI Approved :: MIT License
+    Programming Language :: Python :: 3.7
+    Programming Language :: Python :: 3.8
+    Programming Language :: Python :: 3.9
+
+[options]
+packages = find:
+install_requires =
+    aiida-core~=1.0
+    ase<3.20
+    bokeh~=2.0
+    ipytree~=0.2
+    ipywidgets~=7.6
+    more_itertools~=8.0
+    nglview~=3.0
+    numpy~=1.17
+    optimade-client==2021.5.7
+    pandas~=1.0
+    scikit-learn~=0.24
+    vapory~=0.1.2
+python_requires = >=3.7
+include_package_data = True
+zip_safe = False
+
+[options.extras_require]
+docs =
+    sphinx
+    sphinx-rtd-theme
+    sphinxcontrib-contentui
+    sphinxcontrib-details-directive
+pre_commit =
+    pre-commit==2.10.1
+
 [flake8]
 # Adapted from: https://github.com/CasperWA/voila-optimade-client
 ignore =

setup.py

@@ -1,22 +1,5 @@
-# -*- coding: utf-8 -*-
-"""Setting up CP2K plugin for AiiDA"""
-import json
+# -*- coding: utf8 -*-
+"""This file is required for editable installs of the package."""
+from setuptools import setup
 
-from io import open  # pylint: disable=redefined-builtin
-from setuptools import setup, find_packages
-
-
-def run_setup():
-    with open("setup.json", "r", encoding="utf-8") as info:
-        kwargs = json.load(info)
-    setup(
-        include_package_data=True,
-        packages=find_packages(),
-        long_description=open("README.md", encoding="utf-8").read(),
-        long_description_content_type="text/markdown",
-        **kwargs
-    )
-
-
-if __name__ == "__main__":
-    run_setup()
+setup()