VolFe 0.2__tar.gz → 0.3__tar.gz

volfe-0.3/PKG-INFO

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+Metadata-Version: 2.1
+Name: VolFe
+Version: 0.3
+Summary: VolFe
+Author-email: Ery Hughes <ery.c.hughes@gmail.com>
+Project-URL: Homepage, https://github.com/eryhughes/VolFe
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Requires-Python: >=3.7
+Description-Content-Type: text/markdown
+Requires-Dist: datetime
+Requires-Dist: densityx
+Requires-Dist: gmpy2
+Requires-Dist: numpy<2
+Requires-Dist: pandas
+Requires-Dist: PySulfSat
+Requires-Dist: scipy
+Provides-Extra: dev
+Requires-Dist: pytest; extra == "dev"
+Requires-Dist: pytest-cov; extra == "dev"
+Requires-Dist: sympy; extra == "dev"
+Provides-Extra: docs
+Requires-Dist: sphinx; extra == "docs"
+Requires-Dist: sphinx_rtd_theme; extra == "docs"
+Requires-Dist: sphinxcontrib-bibtex; extra == "docs"
+Requires-Dist: nbsphinx; extra == "docs"
+Requires-Dist: ipykernel; extra == "docs"
+
+[![](https://img.shields.io/badge/python-3.7+-blue.svg)](https://www.python.org/downloads/)
+
+Welcome to VolFe! an open-source framework for calculating melt-vapour equilibria including silicate melt, carbon, hydrogen, sulfur and noble gases. 
+
+This work is currently in preparation for publication. 
+
+For more information, see the ReadTheDocs page (more content will be added soon)!
+
+https://volfe.readthedocs.io/en/latest/
+
+## Development
+
+If you wish to edit VolFe on your own computer, you can install an editable version using
+
+```
+pip install -e ".[dev]"
+```
+from inside a virtual environment (use either venv or anaconda). This will import VolFe
+in a format that allows you to run any edits you have made, and all it's requirements,
+alongside useful packages for developing VolFe (pytest, sympy).
+
+Check VolFe runs on your machine, and that any edits you make haven't broken existing code by running pytest:
+```
+python -m pytest tests
+```
+or you can use the testing frameworks that come with your IDE (e.g. [VSCode](https://code.visualstudio.com/docs/python/testing), [PyCharm](https://www.jetbrains.com/help/pycharm/testing-your-first-python-application.html)).

volfe-0.3/README.md

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+[![](https://img.shields.io/badge/python-3.7+-blue.svg)](https://www.python.org/downloads/)
+
+Welcome to VolFe! an open-source framework for calculating melt-vapour equilibria including silicate melt, carbon, hydrogen, sulfur and noble gases. 
+
+This work is currently in preparation for publication. 
+
+For more information, see the ReadTheDocs page (more content will be added soon)!
+
+https://volfe.readthedocs.io/en/latest/
+
+## Development
+
+If you wish to edit VolFe on your own computer, you can install an editable version using
+
+```
+pip install -e ".[dev]"
+```
+from inside a virtual environment (use either venv or anaconda). This will import VolFe
+in a format that allows you to run any edits you have made, and all it's requirements,
+alongside useful packages for developing VolFe (pytest, sympy).
+
+Check VolFe runs on your machine, and that any edits you make haven't broken existing code by running pytest:
+```
+python -m pytest tests
+```
+or you can use the testing frameworks that come with your IDE (e.g. [VSCode](https://code.visualstudio.com/docs/python/testing), [PyCharm](https://www.jetbrains.com/help/pycharm/testing-your-first-python-application.html)).

volfe-0.3/pyproject.toml

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+[build-system]
+requires = ['setuptools>=40.8.0']
+build-backend = 'setuptools.build_meta'
+
+[project]
+name = "VolFe"
+dynamic = ["version"]
+description = "VolFe"
+readme = "README.md"
+requires-python = ">=3.7"
+authors = [
+    { name = "Ery Hughes", email = "ery.c.hughes@gmail.com" },
+]
+classifiers = [
+    "Operating System :: OS Independent",
+    "Programming Language :: Python :: 3",
+]
+dependencies = [
+    "datetime",
+    "densityx",
+    "gmpy2",
+    "numpy<2",
+    "pandas",
+    "PySulfSat",
+    "scipy",
+]
+
+[project.optional-dependencies]
+dev = [
+    "pytest",
+    "pytest-cov",
+    "sympy",
+]
+docs = [
+    "sphinx",
+    "sphinx_rtd_theme",
+    "sphinxcontrib-bibtex",
+    "nbsphinx",
+    "ipykernel"
+]
+
+[project.urls]
+Homepage = "https://github.com/eryhughes/VolFe"
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
+[tool.setuptools.dynamic]
+version = {attr = "VolFe.__version__"}
+
+[tool.black]
+line-length = 88
+
+[tool.pytest.ini_options]
+pythonpath = "."

volfe-0.3/src/VolFe/__init__.py

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+__author__ = "Ery Hughes"
+__version__ = "0.3"
+
+# functions for calculating properties of the melt and gas
+from .melt_gas import *
+
+# functions for variables that can be model depedent (e.g., solubility constants,
+# fugacity coefficients)
+from .model_dependent_variables import *
+
+# functions for calculating equilibrium speciation and concentration between melt ± gas
+# at given P and T
+from .equilibrium_equations import *
+from .differential_equations import *
+
+# functions to calculate equilibrium isotope fractionation given melt ± gas composition
+from .batch_calculations import *
+
+# functions to run a calculations
+from .calculations import *
+
+# functions to run calculations in batch mode
+from .batch_calculations import *