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remove unused scripts and unused lines in Makefile
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JacksonBurns committed Apr 12, 2023
1 parent 7f83fec commit 15124a8
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41 changes: 3 additions & 38 deletions Makefile
Original file line number Diff line number Diff line change
Expand Up @@ -58,24 +58,12 @@ decython:
find . -name *.pyc -exec rm -f '{}' \;

test-all:
ifneq ($(OS),Windows_NT)
mkdir -p testing/coverage
rm -rf testing/coverage/*
endif
nosetests --nocapture --nologcapture --all-modules --verbose --with-coverage --cover-inclusive --cover-erase --cover-html --cover-html-dir=testing/coverage --exe rmgpy arkane

test test-unittests:
ifneq ($(OS),Windows_NT)
mkdir -p testing/coverage
rm -rf testing/coverage/*
endif
nosetests --nocapture --nologcapture --all-modules -A 'not functional' --verbose --with-coverage --cover-inclusive --cover-erase --cover-html --cover-html-dir=testing/coverage --exe rmgpy arkane

test-functional:
ifneq ($(OS),Windows_NT)
mkdir -p testing/coverage
rm -rf testing/coverage/*
endif
nosetests --nologcapture --all-modules -A 'functional' --verbose --exe rmgpy arkane

test-database:
Expand All @@ -87,6 +75,7 @@ eg0: all
cp examples/rmg/superminimal/input.py testing/eg0/input.py
@ echo "Running eg0: superminimal (H2 oxidation) example"
python rmg.py testing/eg0/input.py

eg1: all
mkdir -p testing/eg1
rm -rf testing/eg1/*
Expand All @@ -96,6 +85,7 @@ eg1: all
coverage run rmg.py -p testing/eg1/input.py
coverage report
coverage html

eg2: all
mkdir -p testing/eg2
rm -rf testing/eg2/*
Expand Down Expand Up @@ -145,34 +135,9 @@ scoop: all
@ echo "Running minimal example with SCOOP"
python -m scoop -n 2 rmg.py -v testing/scoop/input.py

#########
# Section for setting up MOPAC calculations on the Travis-CI.org server
ifeq ($(TRAVIS),true)
ifneq ($(TRAVIS_SECURE_ENV_VARS),true)
SKIP_MOPAC=true
endif
endif
mopac_travis:
ifeq ($(TRAVIS),true)
ifneq ($(TRAVIS_SECURE_ENV_VARS),true)
@echo "Don't have MOPAC licence key on this Travis build so can't test QM"
else
@echo "Installing MOPAC key"
@yes Yes | mopac $(MOPACKEY)
endif
else
@#echo "Not in Travis build, no need to run this target"
endif
# End of MOPAC / TRAVIS stuff
#######

eg4: all mopac_travis
ifeq ($(SKIP_MOPAC),true)
@echo "Skipping eg4 (without failing) because can't run MOPAC"
else
eg4: all
mkdir -p testing/eg4
rm -rf testing/eg4/*
cp examples/thermoEstimator/input.py testing/eg4/input.py
@ echo "Running thermo data estimator example. This tests QM."
python scripts/thermoEstimator.py testing/eg4/input.py
endif
53 changes: 0 additions & 53 deletions trigger-rmg-tests.sh

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