Added a 'CHANGELOG.md' and a 'LICENSE' file. Modified the 'README.md' and...

Added a 'CHANGELOG.md' and a 'LICENSE' file. Modified the 'README.md' and added files for packaging. Created package version 0.1.0.

.gitignore

 # Ignore compiled files
 *.pyc
+
+# Ignore package build directory
+/toarstats.egg-info/

CHANGELOG.md

+# Changelog
+All notable changes to this project will be documented in this file.
+
+## v0.1.0 - 2021-09-05 - first experimental release of the package
+
+### general:
+* first working version is implemented
+* 50 statistics and metrics are included

LICENSE

+MIT License
+
+Copyright (c) 2021 Forschungszentrum Jülich GmbH
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

README.md

@@ -5,23 +5,94 @@ calculated on **hourly** data. The statistics in the `ozone_metrics.py`
 file are specific to ozone data. The statistics in the `stats.py` file
 can be calculated for other variables as well.
 
-To use this functionality import `toarstats` with:
+## Installation
+
+To install the package in a specific version and all dependencies run
+the following command from within the `dist` folder of this repository:
 ```
-from toarstats import toarstats
+python3 -m pip install toarstats-<version>-py3-none-any.whl
 ```
+It is advised to set up a virtual environment beforehand.
+
+## Usage
+
+### Import
+
+To use the package import `toarstats` with:
+```
+from toarstats import toarstats # or
+from toarstats import * # or
+import toarstats
+```
+
+### Interface
 
 The `toarstats` interface is defined like this:
 ```
 toarstats(sampling, statistics, data, metadata, seasons=None,
           crops=None, data_capture=None)
+    """Calculate the given statistics with the given sampling.
+
+    This function is the public interface for the toarstats package and
+    acts as a wrapper around all statistics and metrics included in the
+    package.
+
+    :param sampling: temporal aggregation, one of ``daily``,
+                     ``monthly``, ``seasonal``, ``vegseason``,
+                     ``summer``, ``xsummer``, or ``annual``;
+                     ``summer`` will pick the 6-months summer season in
+                     the hemisphere where the station is located;
+                     ``xsummer`` does the same for a 7-months summer
+                     season;
+                     ``vegseason`` requires also the crops argument and
+                     will then determine the appropriate growing seasons
+                     based on the ``climatic_zone`` metadata and crop
+                     type
+    :param statistics: a list of statistics and metrics to call, these
+                       must be defined in ``stats.py`` or
+                       ``ozone_metrics.py``;
+                       a single string can also be given
+    :param data: a data frame with datetime values with hourly
+                 resolution and a column with parameter values on which
+                 to calculate the requested statistics and metrics
+    :param metadata: a named tuple with metadata information for
+                     ``station_lat``, ``station_lon``, and
+                     ``station_climatic_zone``
+    :param seasons: a list of season names for seasonal statistics;
+                    for a definition of seasons, see ``stats_utils.py``;
+                    if ``None`` is passed, seasonal statistics will be
+                    computed for the default seasons of the respective
+                    metrics, normally, these are the four meteorological
+                    seasons ``DJF``, ``MAM``, ``JJA`` and ``SON``;
+                    if sampling is set to ``summer`` or ``xsummer``, the
+                    correct season will be determined based on the
+                    ``station_lat`` metadata;
+                    if sampling is ``vegseason`` and the crops argument
+                    is given, the appropriate growing seasons will be
+                    selected based on the crop type and
+                    ``climatic_zone`` metadata;
+                    the growing seasons for wheat and rice will also be
+                    selected if sampling is ``seasonal`` and the chosen
+                    metrics contains ``aot40`` or ``w126``
+    :param crops: a list of crop types for ``vegseason`` statistics;
+                  default is ``["wheat", "rice"]``;
+                  a single string can also be given
+    :param data_capture: a fractional value which will be used to
+                         identify valid data periods;
+                         the default is 0.75 for most statistics,
+                         meaning that 75% of hourly values must be
+                         present in a given interval in order to mark a
+                         result as valid;
+                         note that the ``value_count``, ``mean`` and
+                         ``standard_deviation`` statistics do not use
+                         this capture criterion, ``value_count`` counts
+                         all values, ``mean`` and ``standard_deviation``
+                         are calculated when there are at least 10 valid
+                         hourly values in an interval;
+                         the fraction may not always be applied to
+                         original hourly values, but could for example
+                         also be used to count the number of valid days
+                         for a ``monthly``, ``seasonal``, or ``annual``
+                         statistic
+    """
 ```
-Arguments:<br>
-sampling: temporal aggregation, e.g. 'daily', 'monthly', 'annual'<br>
-statistics: a list of statistics which should be calculated, names must
-            be defined in `ozone_metrics.py` or `stats.py`<br>
-data: a data frame containing the hourly data<br>
-metadata: a named tuple containing the dataset metadata<br>
-seasons: a list of season names for seasonal statistics<br>
-crops: a list of crop types for 'vegseason' statistics<br>
-data_capture: a fractional value which will be used to identify valid
-              data periods

pyproject.toml

+[build-system]
+requires = [
+    "setuptools>=42",
+    "wheel"
+]
+build-backend = "setuptools.build_meta"

setup.cfg

+[metadata]
+name = toarstats
+version = 0.1.0
+author = Niklas Selke
+author_email = n.selke@fz-juelich.de
+description = Collection of statistics for the TOAR community
+long_description = file: README.md
+long_description_content_type = text/markdown
+url = https://gitlab.jsc.fz-juelich.de/esde/toar-public/toarstats
+classifiers =
+    Programming Language :: Python :: 3
+    Programming Language :: Python :: 3.6
+    Programming Language :: Python :: 3.7
+    Programming Language :: Python :: 3.8
+    Programming Language :: Python :: 3.9
+    License :: OSI Approved :: MIT License
+    Operating System :: OS Independent
+
+[options]
+packages = toarstats
+python_requires = >=3.6
+install_requires =
+    pandas>=1.0