Merge pull request #151 from volkamerlab/add-numpy-to-env

Add `numpy`+`jsonschema` to env + drop Python 3.6 in CI (use 3.7 instead)
volkamerlab · Oct 4, 2021 · e36208e · e36208e
2 parents 2684847 + a579092
commit e36208e
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Showing 3 changed files with 14 additions and 6 deletions.
diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
@@ -22,13 +22,13 @@ jobs:
       matrix:
         cfg:
           - os: ubuntu-latest
-            python-version: "3.6"
+            python-version: "3.7"
           - os: ubuntu-latest
             python-version: "3.9"
           - os: macos-latest
-            python-version: "3.6"
+            python-version: "3.7"
           - os: windows-latest
-            python-version: "3.6"
+            python-version: "3.7"
 
     env:
       PYVER: ${{ matrix.cfg.python-version }}
@@ -121,7 +121,7 @@ jobs:
 
       - uses: conda-incubator/setup-miniconda@v2
         with:
-          python-version: 3.6
+          python-version: 3.7
           channel-priority: true
           auto-activate-base: true
           channels: conda-forge,defaults

diff --git a/devtools/other-conda-envs/users_env.yml b/devtools/other-conda-envs/users_env.yml
@@ -2,10 +2,12 @@ name: teachopencadd
 channels:
   - conda-forge
 dependencies:
-  - python>=3.6
+  - python>=3.7
   - pip
   - jupyter
   - jupyterlab>=3
+  # Explicitly add numpy because of https://github.com/volkamerlab/teachopencadd/issues/150
+  - numpy
   - rdkit>=2021.03
   - scikit-learn
   - biopandas
@@ -18,6 +20,8 @@ dependencies:
   - openbabel
   - tqdm
   - lxml
+  # Remove jsonschema once this issue is fixed: https://github.com/Yelp/bravado/issues/478
+  - jsonschema<4.0.0
   - bravado
   - beautifulsoup4
   - ipywidgets>=7.5

diff --git a/devtools/test_env.yml b/devtools/test_env.yml
@@ -2,10 +2,12 @@
 channels:
   - conda-forge
 dependencies:
-  - python>=3.6
+  - python>=3.7
   - pip
   - jupyter
   - jupyterlab>=3
+  # Explicitly add numpy because of https://github.com/volkamerlab/teachopencadd/issues/150
+  - numpy
   - rdkit>=2021.03
   - scikit-learn
   - biopandas
@@ -18,6 +20,8 @@ dependencies:
   - openbabel
   - tqdm
   - lxml
+  # Remove jsonschema once this issue is fixed: https://github.com/Yelp/bravado/issues/478
+  - jsonschema<4.0.0
   - bravado
   - beautifulsoup4
   - ipywidgets>=7.5