Do not yet enforce EOF consistency (#93)

* Lint re-generated water models in CI * Defer EOF consistency
openforcefield · Nov 6, 2023 · b076607 · b076607
1 parent 858a898
commit b076607
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diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
@@ -83,6 +83,7 @@ jobs:
           python scripts/get_ion_nb_params_from_ambertools_frcmod.py $AMBERHOME/dat/leap/parm/frcmod.ionslm_126_fb3
           python scripts/get_ion_nb_params_from_ambertools_frcmod.py $AMBERHOME/dat/leap/parm/frcmod.ionslm_126_fb4
           ls scripts/write_*.py | xargs -n 1 -P 3 python
+          pre-commit run --all-files && git add openforcefields/offxml
 
       - name: Error out if any OFFXML files changed
         if: ${{ matrix.toolkit == true }}

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -3,7 +3,6 @@ repos:
   rev: v4.5.0
   hooks:
   - id: check-yaml
-  - id: end-of-file-fixer
   - id: trailing-whitespace
   - id: debug-statements
 - repo: https://github.com/psf/black

diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -11,3 +11,5 @@ dependencies:
   - pytest-xdist
   - pandas
   - click
+  # Needed only because water models are re-written in CI
+  - pre-commit