Skip to content

Commit

Permalink
Merge pull request #308 from volkamerlab/t019-fix-ligand-template
Browse files Browse the repository at this point in the history
T019: Fix "No template found for residue 444 (03P)"
  • Loading branch information
mbackenkoehler authored May 22, 2023
2 parents 40584af + 4ec048e commit b9ea2d9
Show file tree
Hide file tree
Showing 2 changed files with 168 additions and 63 deletions.
14 changes: 1 addition & 13 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -72,19 +72,7 @@ jobs:
shell: bash -l {0}
run: |
PYTEST_ARGS="--nbval-lax --current-env --dist loadscope --numprocesses 2"
# Ignore T019 under Windows, see https://github.com/volkamerlab/teachopencadd/issues/313
PYTEST_IGNORE_T019="--ignore=teachopencadd/talktorials/T019_md_simulation/talktorial.ipynb"
# Temporarily ignored notebooks, see https://github.com/volkamerlab/teachopencadd/issues/303
PYTEST_IGNORE_T008="--ignore=teachopencadd/talktorials/T008_query_pdb/talktorial.ipynb"
if [ "$RUNNER_OS" != "Windows" ]; then
# Temporarily ignore T019
pytest $PYTEST_ARGS teachopencadd/talktorials/ $PYTEST_IGNORE_T008 $PYTEST_IGNORE_T019
else
pytest $PYTEST_ARGS teachopencadd/talktorials/ $PYTEST_IGNORE_T008 $PYTEST_IGNORE_T019
fi
pytest $PYTEST_ARGS teachopencadd/talktorials/
format:
name: Black
Expand Down
Loading

0 comments on commit b9ea2d9

Please sign in to comment.