diff --git a/.github/workflows/python-tests.yml b/.github/workflows/python-tests.yml index 554cb0f..86f6811 100644 --- a/.github/workflows/python-tests.yml +++ b/.github/workflows/python-tests.yml @@ -23,8 +23,8 @@ jobs: python-version: "3.8" - name: Install dependencies run: | - python -m pip install --upgrade pip pipenv - if [ -f Pipfile ]; then pipenv install; fi + python -m pip install --upgrade pip poetry; + [ -f pyproject.toml ] && poetry install; - name: Test with unittest run: | - pipenv run python -m unittest -v \ No newline at end of file + poetry run python -m unittest -v \ No newline at end of file diff --git a/.gitignore b/.gitignore index 58f5f60..080d9dc 100644 --- a/.gitignore +++ b/.gitignore @@ -16,3 +16,5 @@ simfiles/* *.pkl *.xyz + +dist/ diff --git a/diceplayer/player.py b/diceplayer/player.py index 11a3df2..a7aa562 100644 --- a/diceplayer/player.py +++ b/diceplayer/player.py @@ -59,7 +59,7 @@ class Player: "==========================================================================================\n" ) - for cycle in range(self.initial_cycle, self.initial_cycle + self.config.maxcyc + 1): + for cycle in range(self.initial_cycle, self.initial_cycle + self.config.maxcyc): logger.info( f"------------------------------------------------------------------------------------------\n" diff --git a/poetry.lock b/poetry.lock index 88d56fe..cd030c8 100644 --- a/poetry.lock +++ b/poetry.lock @@ -85,6 +85,43 @@ files = [ [package.extras] toml = ["tomli"] +[[package]] +name = "dacite" +version = "1.8.1" +description = "Simple creation of data classes from dictionaries." +category = "main" +optional = false +python-versions = ">=3.6" +files = [ + {file = "dacite-1.8.1-py3-none-any.whl", hash = "sha256:cc31ad6fdea1f49962ea42db9421772afe01ac5442380d9a99fcf3d188c61afe"}, +] + +[package.extras] +dev = ["black", "coveralls", "mypy", "pre-commit", "pylint", "pytest (>=5)", "pytest-benchmark", "pytest-cov"] + +[[package]] +name = "nptyping" +version = "2.5.0" +description = "Type hints for NumPy." +category = "main" +optional = false +python-versions = ">=3.7" +files = [ + {file = "nptyping-2.5.0-py3-none-any.whl", hash = "sha256:764e51836faae33a7ae2e928af574cfb701355647accadcc89f2ad793630b7c8"}, + {file = "nptyping-2.5.0.tar.gz", hash = "sha256:e3d35b53af967e6fb407c3016ff9abae954d3a0568f7cc13a461084224e8e20a"}, +] + +[package.dependencies] +numpy = {version = ">=1.20.0,<2.0.0", markers = "python_version >= \"3.8\""} +typing-extensions = {version = ">=4.0.0,<5.0.0", markers = "python_version < \"3.10\""} + +[package.extras] +build = ["invoke (>=1.6.0)", "pip-tools (>=6.5.0)"] +complete = ["pandas", "pandas-stubs-fork"] +dev = ["autoflake", "beartype (<0.10.0)", "beartype (>=0.10.0)", "black", "codecov (>=2.1.0)", "coverage", "feedparser", "invoke (>=1.6.0)", "isort", "mypy", "pandas", "pandas-stubs-fork", "pip-tools (>=6.5.0)", "pylint", "pyright", "setuptools", "typeguard", "wheel"] +pandas = ["pandas", "pandas-stubs-fork"] +qa = ["autoflake", "beartype (<0.10.0)", "beartype (>=0.10.0)", "black", "codecov (>=2.1.0)", "coverage", "feedparser", "isort", "mypy", "pylint", "pyright", "setuptools", "typeguard", "wheel"] + [[package]] name = "numpy" version = "1.24.3" @@ -258,7 +295,19 @@ files = [ [package.extras] test = ["pytest"] +[[package]] +name = "typing-extensions" +version = "4.6.3" +description = "Backported and Experimental Type Hints for Python 3.7+" +category = "main" +optional = false +python-versions = ">=3.7" +files = [ + {file = "typing_extensions-4.6.3-py3-none-any.whl", hash = "sha256:88a4153d8505aabbb4e13aacb7c486c2b4a33ca3b3f807914a9b4c844c471c26"}, + {file = "typing_extensions-4.6.3.tar.gz", hash = "sha256:d91d5919357fe7f681a9f2b5b4cb2a5f1ef0a1e9f59c4d8ff0d3491e05c0ffd5"}, +] + [metadata] lock-version = "2.0" python-versions = "^3.8" -content-hash = "9d6162d0b954236bf441f7fdd3b4b56e47865eb3c11fbd37fda44c30042a68cb" +content-hash = "5767445dc10a28eeb01ba23bfbf781b68d8c158df80be696d53cb0c962d409ab" diff --git a/pyproject.toml b/pyproject.toml index b340753..1d79fae 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -12,6 +12,8 @@ numpy = "^1.24.3" argparse = "^1.4.0" setproctitle = "^1.3.2" pyyaml = "^6.0" +dacite = "^1.8.1" +nptyping = "^2.5.0" [tool.poetry.group.dev.dependencies] diff --git a/tests/test_player.py b/tests/test_player.py index d1b50e9..f6071a0 100644 --- a/tests/test_player.py +++ b/tests/test_player.py @@ -335,16 +335,6 @@ class TestPlayer(unittest.TestCase): player.dice_interface.start.assert_called_once() - # @mock.patch("builtins.open", mock_open) - # def test_gaussian_start(self): - # player = Player("control.test.yml") - # player.gaussian_interface = mock.MagicMock() - # player.gaussian_interface.start = mock.MagicMock() - # - # player.gaussian_start(1) - # - # player.gaussian_interface.start.assert_called_once() - if __name__ == '__main__': unittest.main()