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fixed docs; nothing works for binder, going back
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frannerin committed Mar 27, 2024
1 parent 9f22e35 commit d61064f
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Showing 4 changed files with 39 additions and 29 deletions.
1 change: 1 addition & 0 deletions .binder/apt.txt
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@@ -0,0 +1 @@
libgl1
48 changes: 25 additions & 23 deletions .binder/environment.yml
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@@ -1,24 +1,26 @@
channels:
- conda-forge
- defaults
dependencies:
- python=3.9.19 # 3.10 or above provokes numba import fail
- mdanalysis=2.2.0 # 2.3 or above fails with non-complying "formalcharges" last column of PDBs (GPCRmd PDBs)
- numpy=1.23.5 # 1.24 removed numpy.int and numpy.float needed for dynetan and PyInteraph2
- ipywidgets=7.8.0 # 8 or above messes with nglview
- jupyterlab=3.6.7 # 4 or above messes with nglview
- multiprocess
- lazyasd
- pandas
- pyarrow
- numba
- networkx
- pymol-open-source
- ambertools
- nglview
- prody
- mdtraj
- python-louvain
- compilers
- cython
name: AlloViz
channels:
- conda-forge
- defaults
- conda-forge/label/broken
dependencies:
- python==3.9.* # 3.10 or above provokes numba import fail
- mdanalysis==2.2.* # 2.3 or above fails with non-complying "formalcharges" last column of PDBs (GPCRmd PDBs)
- numpy==1.23.* # 1.24 removed numpy.int and numpy.float needed for dynetan and PyInteraph2
- ipywidgets==7.* # 8 or above messes with nglview
- jupyterlab==3.* # 4 or above messes with nglview
- multiprocess
- lazyasd
- pandas
- pyarrow
- numba
- networkx
- pymol-open-source
- ambertools
- nglview
- prody
- mdtraj
- python-louvain
- compilers
- cython
- vmd-python
2 changes: 1 addition & 1 deletion .readthedocs.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ build:
python: "3.10"
jobs:
pre_install:
- sed -i "s/dependencies = .*//g" pyproject.toml
- sed -i '/dependencies = .*/,+25d' pyproject.toml

sphinx:
fail_on_warning: false
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17 changes: 12 additions & 5 deletions pyproject.toml
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Expand Up @@ -18,11 +18,10 @@ readme = "README.rst"
version = "1.0"

dependencies = [
# removed loose version specifications; messes with readthedocs
'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
'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
'mdanalysis >= 2.2, < 2.3', # 2.3 or above fails with non-complying "formalcharges" last column of PDBs (GPCRmd PDBs)

'multiprocess',
'lazyasd',
Expand All @@ -43,6 +42,14 @@ dependencies = [
'vmd-python'
]









# license = {text = "BSD 3-Clause License"}
classifiers = [
# "License :: OSI Approved :: MIT License",
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