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CI: Check we have the right python #78

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CI: Check we have the right python #78

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654e80c
CI: Check we have the right python
jaimergp Nov 27, 2020
05f07ad
Disable py39 for now
jaimergp Dec 11, 2020
2b9d755
Pin dependencies slightly (temporarily)
jaimergp Dec 11, 2020
5f8d2e9
Update recipe too
jaimergp Dec 11, 2020
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12 changes: 10 additions & 2 deletions .github/workflows/ci.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -27,8 +27,9 @@ jobs:
python-version: "3.7"
- os: ubuntu-latest
python-version: "3.8"
- os: ubuntu-latest
python-version: "3.9"
# # Disable for py39 -- unsolvable as of 2020.12.11
# - os: ubuntu-latest
# python-version: "3.9"
- os: macos-latest
python-version: "3.6"
- os: windows-latest
Expand All @@ -49,6 +50,13 @@ jobs:
environment-file: devtools/conda-envs/test_env.yml
auto-activate-base: false

- name: Ensure we have the right Python
shell: bash -l {0}
run: |
echo "Installed Python: $(python --version)"
echo "Expected: ${{ matrix.cfg.python-version }}"
python --version | grep "Python ${{ matrix.cfg.python-version }}"

- name: Additional info about the build
shell: bash
run: |
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4 changes: 2 additions & 2 deletions devtools/conda-envs/test_env.yml
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Expand Up @@ -7,11 +7,11 @@ dependencies:
- pip
- jupyter
- jupyterlab
- rdkit>=2018.09.2.0
- rdkit>=2018.09.2.0,<2020.09.2
- scikit-learn
- biopandas
- seaborn
- pypdb
- pypdb 1.*
- requests-cache
- chembl_webresource_client
- nglview
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4 changes: 2 additions & 2 deletions devtools/conda-recipe/meta.yaml
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Expand Up @@ -23,11 +23,11 @@ requirements:
- jupyterlab
- ipywidgets>=7.5
# Cheminformatics
- rdkit>=2018.09.2.0
- rdkit>=2018.09.2.0,<2020.09.2
- scikit-learn
- biopandas
- seaborn
- pypdb
- pypdb 1.*
- chembl_webresource_client
- nglview
- requests
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4 changes: 2 additions & 2 deletions environment.yml
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Expand Up @@ -10,11 +10,11 @@ dependencies:
- pip
- jupyter
- jupyterlab
- rdkit>=2018.09.2.0
- rdkit>=2018.09.2.0,<2020.09.2
- scikit-learn
- biopandas
- seaborn
- pypdb
- pypdb 1.*
- requests-cache
- chembl_webresource_client
- nglview
Expand Down