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Fix regression tests after conda --clone failure #725

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Merged
sevyharris merged 2 commits into from
May 8, 2026
Merged

Fix regression tests after conda --clone failure #725

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0045881
Fix regression tests after conda --clone failure
sevyharris May 8, 2026
ab0aaea
fix regression test: require setuptools for build
sevyharris May 8, 2026
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1 change: 1 addition & 0 deletions .conda/meta.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ build:
requirements:
build:
- python
- setuptools
run:
- python

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11 changes: 7 additions & 4 deletions .github/workflows/CI.yml
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Expand Up @@ -96,7 +96,7 @@ jobs:

- name: Make separate No-RMS conda env
run: |
conda create --name rmg_env_without_rms --clone rmg_env
conda create --name rmg_env_without_rms -f environment.yml

- name: Setup Juliaup
uses: julia-actions/install-juliaup@v2
Expand Down Expand Up @@ -190,6 +190,9 @@ jobs:
REFERENCE: stable_regression_results
run: |
conda activate rmg_env_without_rms
echo "CONDA_PREFIX: $CONDA_PREFIX" # see if the conda environment was activated
conda run -n rmg_env_without_rms conda install -y pip
conda run -n rmg_env_without_rms make install
exec 2> >(tee -a regression.stderr >&2) 1> >(tee -a regression.stdout)
mkdir -p "test/regression-diff"
for regr_test in aromatics liquid_oxidation nitrogen oxidation sulfur superminimal RMS_constantVIdealGasReactor_superminimal RMS_CSTR_liquid_oxidation;
Expand All @@ -208,7 +211,7 @@ jobs:

echo "<details>"
# Compare the edge and core
if python scripts/checkModels.py \
if conda run -n rmg_env_without_rms python scripts/checkModels.py \
"$regr_test-core" \
$REFERENCE/"$regr_test"/chemkin/chem_annotated.inp \
$REFERENCE/"$regr_test"/chemkin/species_dictionary.txt \
Expand All @@ -225,7 +228,7 @@ jobs:
cat "$regr_test-core.log" || (echo "Dumping the whole log failed, please download it from GitHub actions. Here are the first 100 lines:" && head -n100 "$regr_test-core.log")
echo "</details>"
echo "<details>"
if python scripts/checkModels.py \
if conda run -n rmg_env_without_rms python scripts/checkModels.py \
"$regr_test-edge" \
$REFERENCE/"$regr_test"/chemkin/chem_edge_annotated.inp \
$REFERENCE/"$regr_test"/chemkin/species_edge_dictionary.txt \
Expand All @@ -246,7 +249,7 @@ jobs:
if [ -f test/regression/"$regr_test"/regression_input.py ];
then
echo "<details>"
if python rmgpy/tools/regression.py \
if conda run -n rmg_env_without_rms python rmgpy/tools/regression.py \
test/regression/"$regr_test"/regression_input.py \
$REFERENCE/"$regr_test"/chemkin \
test/regression/"$regr_test"/chemkin
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