binder works; newver notebooks and actions fixes

frannerin · Sep 4, 2023 · e6c66c5 · e6c66c5
1 parent 180f0d4
commit e6c66c5
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diff --git a/.github/workflows/test_conda_newenv.yml b/.github/workflows/test_conda_newenv.yml
@@ -1,4 +1,4 @@
-name: Python Package using Conda reduced
+name: Conda installation
 
 on:
   push:

diff --git a/.github/workflows/test_pip_tcl_ubuntu_newenv.yml b/.github/workflows/test_pip_tcl_ubuntu_newenv.yml
@@ -1,4 +1,4 @@
-name: Python Package using pip reduced
+name: pip installation
 
 on:
   push:

diff --git a/README.rst b/README.rst
@@ -5,9 +5,14 @@ AlloViz
     :target: https://alloviz.readthedocs.io/en/latest/?badge=latest
     :alt: Documentation Status
 
-.. image:: https://github.com/frannerin/AlloViz/actions/workflows/test_conda.yml/badge.svg
-   :target: https://github.com/frannerin/AlloViz/actions/workflows/test_conda.yml
-   :alt: Test Python Package using Conda
+.. image:: https://github.com/frannerin/AlloViz/actions/workflows/test_conda_newenv.yml/badge.svg
+   :target: https://github.com/frannerin/AlloViz/actions/workflows/test_conda_newenv.yml
+   :alt: Conda installation
+
+.. image:: https://github.com/frannerin/AlloViz/actions/workflows/test_pip_tcl_ubuntu_newenv.yml/badge.svg
+   :target: https://github.com/frannerin/AlloViz/actions/workflows/test_pip_tcl_ubuntu_newenv.yml
+   :alt: pip installation
+
 
 A Python package to interactively compute, analyze and visualize protein
 allosteric communication (residue interaction) networks and

diff --git a/notebooks/delta.ipynb b/notebooks/delta.ipynb
diff --git a/notebooks/networkx.ipynb b/notebooks/networkx.ipynb
diff --git a/notebooks/quickstart.ipynb b/notebooks/quickstart.ipynb
diff --git a/pip_requirements.txt b/pip_requirements.txt
@@ -1,5 +1,7 @@
 mdanalysis>=2.2,<2.3 # 2.3 or above fails with non-complying "formalcharges" last column of PDBs (GPCRmd PDBs)
 numpy<1.24  # 1.24 removed numpy.int and numpy.float needed for dynetan and PyInteraph2
+ipywidgets<8 # 8 or above messes with nglview
+jupyterlab<4 # 4 or above messes with nglview
 
 multiprocess
 lazyasd

diff --git a/pyproject.toml b/pyproject.toml
@@ -17,10 +17,7 @@ readme = "README.rst"
 #dynamic = ["version"]
 version = "1.0"
 
-dependencies = [ "vmd-python @ git+https://github.com/frannerin/vmd-python@v3.0.6-macosxarm64",
-				 "ipywidgets<8", # 8 or above messes with nglview
-				 "jupyterlab<4" # 4 or above messes with nglview
-			   ]
+dependencies = [ "vmd-python @ git+https://github.com/frannerin/vmd-python@v3.0.6-macosxarm64" ]
 
 # license = {text = "BSD 3-Clause License"}
 classifiers = [