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tox.ini
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tox.ini
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[tox]
env_list =
lint
poli-base-py39
poli-dockstring-py39
poli-tdc-py39
poli-protein-py39
poli-rasp-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"
[testenv:lint]
description = check the code style with black
deps =
black
isort
commands =
black --check --diff .
isort --profile black --check-only src/
[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}
-r requirements.txt
-e.
commands=
{[testenv]commands}
pytest {tty:--color=yes} -v -m "unmarked" {posargs}
[testenv:poli-tdc-py39]
description = run the tests with pytest on the TDC environment for poli
basepython = python3.9
wheel_build_env = .pkg
deps=
{[testenv]deps}
-r requirements.txt
-e.
commands=
sh -c 'if conda info --envs | grep -q poli__tdc; then echo "poli__tdc already exists"; else conda env create -f ./src/poli/core/chemistry/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 ."
pytest {tty:--color=yes} -v -m "not slow and poli__tdc" {posargs}
[testenv:poli-protein-py39]
description = run the tests with pytest on the protein environment for poli
basepython = python3.9
wheel_build_env = .pkg
deps=
{[testenv]deps}
-r requirements.txt
-e.
commands=
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 ."
pytest {tty:--color=yes} -v -m "not slow and poli__protein" {posargs}
[testenv:poli-lambo-py39]
description = run the tests with pytest on the lambo environment for poli
basepython = python3.9
wheel_build_env = .pkg
deps=
{[testenv]deps}
-r requirements.txt
-e.
commands=
sh -c 'if conda info --envs | grep -q poli__lambo; then echo "poli__lambo already exists"; else conda env create -f ./src/poli/objective_repository/foldx_rfp_lambo/environment.yml; fi'
sh -c "conda run -n poli__lambo python -m pip uninstall -y poli"
sh -c "conda run -n poli__lambo python -m pip install -e ."
pytest {tty:--color=yes} -v -m "not slow and poli__lambo" {posargs}
[testenv:poli-dockstring-py39]
description = run the tests with pytest on the dockstring environment for poli
basepython = python3.9
wheel_build_env = .pkg
deps=
{[testenv]deps}
-r requirements.txt
-e.
commands=
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 ."
pytest {tty:--color=yes} -v -m "not slow and poli__dockstring" {posargs}
[testenv:poli-rasp-py39]
description = run the tests with pytest on the dockstring environment for poli
basepython = python3.9
wheel_build_env = .pkg
deps=
{[testenv]deps}
-r requirements.txt
-e.
commands=
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 -m "not slow and poli__rasp" {posargs}