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tox.master.ini
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tox.master.ini
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[tox]
env_list =
lint
poli-base-py39
minversion = 4.10.0
[testenv]
description = run the tests with pytest
package = wheel
wheel_build_env = .pkg
allowlist_externals =
sh
deps =
pytest>=6
commands =
sh -c "rm -rf ~/.poli_objectives/*.sh"
sh -c "rm -rf ~/.poli_objectives/config.rc"
sh -c 'if conda info --envs | grep -q poli__base; then echo "poli__base already exists"; else conda env create -f ./src/poli/objective_repository/aloha/environment.yml; fi'
sh -c "conda run -n poli__base python -m pip uninstall -y poli"
sh -c "conda run -n poli__base python -m pip install -e ."
sh -c 'if conda info --envs | grep -q poli__chem; then echo "poli__chem already exists"; else conda env create -f ./src/poli/objective_repository/rdkit_qed/environment.yml; fi'
sh -c "conda run -n poli__chem python -m pip uninstall -y poli"
sh -c "conda run -n poli__chem python -m pip install -e ."
sh -c 'if conda info --envs | grep -q poli__protein; then echo "poli__protein already exists"; else conda env create -f ./src/poli/objective_repository/foldx_stability/environment.yml; fi'
sh -c "conda run -n poli__protein python -m pip uninstall -y poli"
sh -c "conda run -n poli__protein python -m pip install -e ."
sh -c 'if conda info --envs | grep -q poli__protein_cbas; then echo "poli__protein_cbas already exists"; else conda env create -f ./src/poli/objective_repository/gfp_cbas/environment.yml; fi'
sh -c "conda run -n poli__protein_cbas python -m pip uninstall -y poli"
sh -c "conda run -n poli__protein_cbas python -m pip install -e ."
sh -c 'if conda info --envs | grep -q poli__dockstring; then echo "poli__dockstring already exists"; else conda env create -f ./src/poli/objective_repository/dockstring/environment.yml; fi'
sh -c "conda run -n poli__dockstring python -m pip uninstall -y poli"
sh -c "conda run -n poli__dockstring python -m pip install -e ."
sh -c 'if conda info --envs | grep -q poli__tdc; then echo "poli__tdc already exists"; else conda env create -f ./src/poli/objective_repository/sa_tdc/environment.yml; fi'
sh -c "conda run -n poli__tdc python -m pip uninstall -y poli"
sh -c "conda run -n poli__tdc python -m pip install -e ."
sh -c 'if conda info --envs | grep -q poli__rasp; then echo "poli__rasp already exists"; else conda env create -f ./src/poli/objective_repository/rasp/environment.yml; fi'
sh -c "conda run -n poli__rasp python -m pip uninstall -y poli"
sh -c "conda run -n poli__rasp python -m pip install -e ."
pytest {tty:--color=yes} -v {posargs}
sh -c "rm -rf ~/.poli_objectives/*.sh"
sh -c "rm -rf ~/.poli_objectives/config.rc"
[testenv:lint]
description = check the code style with black
deps =
black
commands =
black --check --diff .
[testenv:poli-base-py39]
description = run the tests with pytest on the base environment for poli
basepython = python3.9
wheel_build_env = .pkg
deps=
{[testenv]deps}
numpy
-e.
commands=
{[testenv]commands}