Prep for 3.1.4 release (#1127)

.github/nglview-gha.yml

@@ -29,7 +29,3 @@ dependencies:
   - mdtraj
   - ambertools # have both pytraj and parmed
   - pip
-  - pip:
-    - simpletraj
-
-

.github/workflows/test.yml

@@ -16,7 +16,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest, macos-latest]
-        python-version: [3.9, 3.11, 3.12]
+        python-version: ["3.10", "3.11", "3.12"]
 
     steps:
     - name: Checkout nglview repository

devtools/release.py

@@ -1,8 +1,23 @@
 #!/usr/bin/env python
 
+"""
+Steps:
+    - cd nglview/static
+    - git rm -rf ./*
+
+    - cd nglview/staticlab
+    - git rm -rf ./*
+
+    - cd js
+    - npm install
+    - cd ../nglview
+    - git add static staticlab
+"""
+
 import subprocess
 import sys
 from pathlib import Path
+import time
 
 HERE = Path(__file__).parents[1].resolve().absolute()
 sys.path.insert(0, str(HERE))
@@ -18,13 +33,11 @@
 print("front_end_version", front_end_version)
 
 if front_end_version != latest_tag:
-    print(f"Version mismatch between front_end_version {front_end_version} and latest_tag {latest_tag}")
-    sys.exit(1)
+    print(f"WARNING: Version mismatch between front_end_version {front_end_version} and latest_tag {latest_tag}")
+    time.sleep(5)
 
 print("\nMake sure to publish npm package")
 output = subprocess.check_output(["npm", "search", "nglview-js-widgets"]).decode()
 print(output)
 
-subprocess.check_call('cd nglview/labextension && git clean -fdx .', shell=True)
-subprocess.check_call('cd js && npm install && npm run copy:labextension', shell=True)
 subprocess.check_call('python setup.py sdist', shell=True)

devtools/update_versions.py

@@ -7,18 +7,6 @@
 
 version = sys.argv[1]
 HERE = Path(__file__).parents[1].resolve().absolute()
-sys.path.insert(0, str(HERE))
-
-import versioneer
-dirty_version = versioneer.get_version()
-clean_version = dirty_version.split('+')[0]
-
-print(f"Current nglview version = {dirty_version}")
-print(f"Front end version = {version}")
-
-if parse_version(clean_version) != parse_version(version):
-    print("WARNING: Current nglview version should be equal to front end version")
-
 pkg_file = HERE / "js/package.json"
 
 content = []

js/package.json

@@ -1,6 +1,6 @@
 {
   "name": "nglview-js-widgets",
-  "version": "3.1.0",
+  "version": "3.1.4",
   "description": "nglview-js-widgets",
   "keywords": [
     "ipython",

nglview/__init__.py

@@ -1,28 +1,28 @@
 import warnings
 
-# for doc
 from . import adaptor, datafiles, show, widget
-from ._version import get_versions
 from .adaptor import *
 from .base_adaptor import *
-# TODO: do not use import *
-# interface
 from .config import BACKENDS
 from .data_source import DatasourceRegistry
 from .show import *
-# utils
 from .utils import js_utils, widget_utils
 from .widget import NGLWidget, write_html
 
-__version__ = get_versions()['version']
-del get_versions
+import pkg_resources
+
+try:
+    __version__ = pkg_resources.get_distribution("nglview").version
+except pkg_resources.DistributionNotFound:
+    __version__ = "unknown"
+
+del pkg_resources
 
 with warnings.catch_warnings():
     warnings.simplefilter("ignore")
 
 # Register nbextension
-
-
+# FIXME: do we still need this?
 def _jupyter_nbextension_paths():
     return [{
         'section': 'notebook',

nglview/_frontend.py

@@ -1 +1 @@
-__frontend_version__ = '3.1.0'
+__frontend_version__ = '3.1.4'