Merge branch 'develop' into new_conftest

yuxuanzhuang · May 1, 2024 · 5c46468 · 5c46468
2 parents d5580d8 + ad69819
commit 5c46468
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Showing 2 changed files with 4 additions and 20 deletions.
diff --git a/.github/workflows/linters.yaml b/.github/workflows/linters.yaml
@@ -146,6 +146,7 @@ jobs:
           micromamba: true
           full-deps: true
           numpy: numpy=1.23.2
+          rdkit: rdkit=2023.09.3
 
       - name: install
         run: |

diff --git a/testsuite/pyproject.toml b/testsuite/pyproject.toml
@@ -54,26 +54,6 @@ include-package-data = true
 
 [tool.setuptools.packages.find]
 namespaces = false
-include=[
-    "MDAnalysisTests",
-    "MDAnalysisTests.data",
-    "MDAnalysisTests.data.Amber",
-    "MDAnalysisTests.data.capping",
-    "MDAnalysisTests.data.coordinates",
-    "MDAnalysisTests.data.gms",
-    "MDAnalysisTests.data.gromos11",
-    "MDAnalysisTests.data.merge",
-    "MDAnalysisTests.data.tprs",
-    "MDAnalysisTests.data.tprs.all_bonded",
-    "MDAnalysisTests.data.tprs.virtual_sites",
-    "MDAnalysisTests.data.analysis",
-    "MDAnalysisTests.data.contacts",
-    "MDAnalysisTests.data.dlpoly",
-    "MDAnalysisTests.data.gromacs",
-    "MDAnalysisTests.data.lammps",
-    "MDAnalysisTests.data.mol2",
-    "MDAnalysisTests.data.windows",
-]
 
 [tool.setuptools.package-data]
 MDAnalysisTests = [
@@ -84,6 +64,9 @@ MDAnalysisTests = [
     "data/tprs/all_bonded/*.gro",
     "data/tprs/all_bonded/*.top",
     "data/tprs/all_bonded/*.mdp",
+    "data/tprs/virtual_sites/*.mdp",
+    "data/tprs/virtual_sites/*.top",
+    "data/tprs/virtual_sites/*.gro",
     "data/*.tpr",
     "data/tprs/*/*.tpr",
     "data/*.gro",