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Makefile
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Makefile
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################################################################################
#
# Makefile for ARC
#
################################################################################
.PHONY : clean gcn gcn-cpu test test-unittests
test test-unittests:
pytest arc/ --cov -ra -vv
test-functional:
pytest functional/ -ra -vv
install-all:
bash devtools/install_all.sh
install-autotst:
bash devtools/install_autotst.sh
install-gcn:
bash devtools/install_gcn.sh
install-gcn-cpu:
bash devtools/install_gcn_cpu.sh
install-kinbot:
bash devtools/install_kinbot.sh
install-sella:
bash devtools/install_sella.sh
install-xtb:
bash devtools/install_xtb.sh
install-torchani:
bash devtools/install_torchani.sh
install-ob:
bash devtools/install_ob.sh
lite:
bash devtools/lite.sh
clean:
find -type d -name __pycache__ -exec rm -rf {} +
rm -rf testing
rm -rf arc/testing/gcn_tst
rm -f .coverage