TNO Intern

Commit 506c2693 authored by Hen Brett's avatar Hen Brett 🐔
Browse files

adding a pyproject2.toml to test if that works

parent e36c7d70

pixi.lock

+69 −9
Original line number Diff line number Diff line
@@ -18,6 +18,7 @@ environments: 
      - conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2025.1.31-pyhd8ed1ab_0.conda

      - conda: https://conda.anaconda.org/conda-forge/win-64/cffi-1.17.1-py313ha7868ed_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.1-pyhd8ed1ab_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.1.8-pyh7428d3b_0.conda

      - conda: https://conda.anaconda.org/conda-forge/win-64/cmarkgfm-2024.11.20-py313ha7868ed_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.13.2-py313hd8ed1ab_101.conda
@@ -78,6 +79,7 @@ environments: 
      - conda: https://conda.anaconda.org/conda-forge/noarch/rich-13.9.4-pyhd8ed1ab_1.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/roman-numerals-py-3.1.0-pyhd8ed1ab_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-75.8.2-pyhff2d567_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/shellingham-1.5.4-pyhd8ed1ab_1.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhd8ed1ab_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/snowballstemmer-2.2.0-pyhd8ed1ab_0.tar.bz2

      - conda: https://conda.anaconda.org/conda-forge/noarch/sphinx-8.2.3-pyhd8ed1ab_0.conda
@@ -92,6 +94,9 @@ environments: 
      - conda: https://conda.anaconda.org/conda-forge/win-64/tbb-2021.13.0-h62715c5_1.conda

      - conda: https://conda.anaconda.org/conda-forge/win-64/tk-8.6.13-h5226925_1.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/twine-6.1.0-pyh29332c3_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/typer-0.15.3-pyhf21524f_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/typer-slim-0.15.3-pyh29332c3_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/typer-slim-standard-0.15.3-h1a15894_0.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/typing_extensions-4.12.2-pyha770c72_1.conda

      - conda: https://conda.anaconda.org/conda-forge/noarch/tzdata-2025b-h78e105d_0.conda

      - conda: https://conda.anaconda.org/conda-forge/win-64/ucrt-10.0.22621.0-h57928b3_1.conda
@@ -107,7 +112,6 @@ environments: 
      - pypi: https://files.pythonhosted.org/packages/77/06/bb80f5f86020c4551da315d78b3ab75e8228f89f0162f2c3a819e407941a/attrs-25.3.0-py3-none-any.whl

      - pypi: https://files.pythonhosted.org/packages/84/c2/80633736cd183ee4a62107413def345f7e6e3c01563dbca1417363cf957e/build-1.2.2.post1-py3-none-any.whl

      - pypi: https://files.pythonhosted.org/packages/f3/2d/980323fb5ec1ef369604b61ba259a41d0336cc1a85b639ed7bd210bd1290/cftime-1.6.4.post1-cp313-cp313-win_amd64.whl

      - pypi: https://files.pythonhosted.org/packages/7e/d4/7ebdbd03970677812aac39c869717059dbb71a4cfc033ca6e5221787892c/click-8.1.8-py3-none-any.whl

      - pypi: https://files.pythonhosted.org/packages/e9/da/824b92d9942f4e472702488857914bdd50f73021efea15b4cad9aca8ecef/click_plugins-1.1.1-py2.py3-none-any.whl

      - pypi: https://files.pythonhosted.org/packages/73/86/43fa9f15c5b9fb6e82620428827cd3c284aa933431405d1bcf5231ae3d3e/cligj-0.7.2-py3-none-any.whl

      - pypi: https://files.pythonhosted.org/packages/e3/d5/28bca491f65312b438fbf076589dcde7f6f966b196d900777f5811b9c4e2/contourpy-1.3.1-cp313-cp313-win_amd64.whl
@@ -360,14 +364,19 @@ packages: 
  - pkg:pypi/charset-normalizer?source=hash-mapping

  size: 47438

  timestamp: 1735929811779

- pypi: https://files.pythonhosted.org/packages/7e/d4/7ebdbd03970677812aac39c869717059dbb71a4cfc033ca6e5221787892c/click-8.1.8-py3-none-any.whl

  name: click

  version: 8.1.8

  sha256: 63c132bbbed01578a06712a2d1f497bb62d9c1c0d329b7903a866228027263b2

  requires_dist:

  - colorama ; sys_platform == 'win32'

  - importlib-metadata ; python_full_version < '3.8'

  requires_python: '>=3.7'

- conda: https://conda.anaconda.org/conda-forge/noarch/click-8.1.8-pyh7428d3b_0.conda

  sha256: c889ed359ae47eead4ffe8927b7206b22c55e67d6e74a9044c23736919d61e8d

  md5: 90e5571556f7a45db92ee51cb8f97af6

  depends:

  - __win

  - colorama

  - python >=3.9

  license: BSD-3-Clause

  license_family: BSD

  purls:

  - pkg:pypi/click?source=hash-mapping

  size: 85169

  timestamp: 1734858972635

- pypi: https://files.pythonhosted.org/packages/e9/da/824b92d9942f4e472702488857914bdd50f73021efea15b4cad9aca8ecef/click_plugins-1.1.1-py2.py3-none-any.whl

  name: click-plugins

  version: 1.1.1
@@ -1539,6 +1548,17 @@ packages: 
  - sphinx-book-theme ; extra == 'docs'

  - sphinx-remove-toctrees ; extra == 'docs'

  requires_python: '>=3.7'

- conda: https://conda.anaconda.org/conda-forge/noarch/shellingham-1.5.4-pyhd8ed1ab_1.conda

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  md5: 7c3c2a0f3ebdea2bbc35538d162b43bf

  depends:

  - python >=3.9

  license: MIT

  license_family: MIT

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  size: 14462

  timestamp: 1733301007770

- conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhd8ed1ab_0.conda

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  md5: a451d576819089b0d672f18768be0f65
@@ -1732,6 +1752,46 @@ packages: 
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  size: 40401

  timestamp: 1737553658703

- conda: https://conda.anaconda.org/conda-forge/noarch/typer-0.15.3-pyhf21524f_0.conda

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  md5: b4bed8eb8dd4fe076f436e5506d31673

  depends:

  - typer-slim-standard ==0.15.3 h1a15894_0

  - python >=3.9

  - python

  license: MIT

  purls:

  - pkg:pypi/typer?source=compressed-mapping

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  timestamp: 1745886712803

- conda: https://conda.anaconda.org/conda-forge/noarch/typer-slim-0.15.3-pyh29332c3_0.conda

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  md5: 20c0f2ae932004d7118c172eeb035cea

  depends:

  - python >=3.9

  - click >=8.0.0

  - typing_extensions >=3.7.4.3

  - python

  constrains:

  - typer 0.15.3.*

  - rich >=10.11.0

  - shellingham >=1.3.0

  license: MIT

  purls:

  - pkg:pypi/typer-slim?source=compressed-mapping

  size: 46152

  timestamp: 1745886712803

- conda: https://conda.anaconda.org/conda-forge/noarch/typer-slim-standard-0.15.3-h1a15894_0.conda

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  md5: 120216d3a2e51dfbb87bbba173ebf210

  depends:

  - typer-slim ==0.15.3 pyh29332c3_0

  - rich

  - shellingham

  license: MIT

  purls: []

  size: 5411

  timestamp: 1745886712803

- conda: https://conda.anaconda.org/conda-forge/noarch/typing_extensions-4.12.2-pyha770c72_1.conda

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pixi.toml

+2 −0
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@ platforms = ["win-64"] 
version = "0.1.0"



[tasks]

tg = "main:calculate"



[dependencies]

python = ">=3.13.2,<3.14"
@@ -20,6 +21,7 @@ twine = ">=6.1.0,<7" 
pip = ">=25.0.1,<26"

sphinx = ">=8.2.3,<9"

sphinx_rtd_theme = ">=3.0.1,<4"

typer = ">=0.15.3,<0.16"



[tool.pixi]

pypi_index_url = "https://pypi.org/simple"

pyproject2.toml

0 → 100644
+63 −0
Original line number Diff line number Diff line 
[build-system]

requires = ["setuptools", "wheel"]

build-backend = "setuptools.build_meta"



[project]

name = "pythermoGIS"

version = "0.1.16"

description = "This repository is used as a python API for the ThermoGIS Doublet simulations"

authors = [

    { name = "Hen Brett", email = "hen.brett@tno.nl" },

    { name = "Florian Knappers", email = "florian.knappers@tno.nl" },

]

readme = "README.md"

license = { file = "LICENSE" }

requires-python = ">=3.11"

dependencies = [

    "jpype1>=1.5.2,<2",

    "xarray==2024.9.0.*",

    "pandas>=2.2.3,<3",

    "pytz>=2024.1,<2025",

    "pygridsio>=0.3.11,<0.4"

]





[tool.pytest.ini_options]

minversion = "7.0"

addopts = "--strict-markers -ra"

testpaths = ["."]

markers = [

    "integration: Marks integration tests (deselect with '-m \"not integration\"')"

]



[tool.setuptools]

package-dir = {"" = "src"}



[tool.setuptools.packages.find]

where = ["src"]



[project.scripts]

calculate = "main:calculate"



[tool.pixi.project]

channels = ["conda-forge"]

platforms = ["win-64", "linux-64"]



[tool.pixi.pypi-dependencies]

pythermogis = { path = ".", editable = true }



[tool.pixi.tasks]



[tool.pixi.dependencies]

python = ">=3.13.2,<3.14"

jpype1 = ">=1.5.2,<2"

xarray = "2024.9.0.*"

pandas = ">=2.2.3,<3"

pytz = ">=2024.1,<2025"

setuptools = ">=75.8.2,<76"

wheel = ">=0.45.1,<0.46"

twine = ">=6.1.0,<7"

pip = ">=25.0.1,<26"

sphinx = ">=8.2.3,<9"

sphinx_rtd_theme = ">=3.0.1,<4"

typer = ">=0.15.3,<0.16"
 
 No newline at end of file

pythermogis/main.py

0 → 100644
+58 −0
Original line number Diff line number Diff line 
import time

import traceback

import typing as t

import xarray as xr

import typer



from thermogis_classes.doublet import calculate_doublet_performance



app = typer.Typer(pretty_exceptions_enable=False)

calculate = typer.Typer(pretty_exceptions_enable=False)

app.add_typer(calculate, name="calculate")



def run_script(func: t.Callable[[str], None], config_file_path: str) -> None:

    """

    Wrapper around the script functions, which adds error handling.

    """

    status = "not started"

    module_name = getattr(func, "__module__", "unknown").split(".")[-1]

    typer.echo(f"Start of the {module_name} script")



    start_time = time.time()

    try:

        func(config_file_path)

        status = "finished"

    except Exception as e:

        typer.echo(f"An error occurred: {e}", err=True)

        typer.echo(traceback.format_exc(), err=True)

        status = "failed"

    finally:

        end_time = time.time()

        duration = end_time - start_time

        typer.echo(f"{module_name} {status} after: {duration:.2f} seconds")





@calculate.command()

def info():

    print("This is the pyThermoGIS Repository; it is a python API to the ThermoGIS Simulation code.")

    print("You can run commands by typing:\n")

    print("\t tg simulate-doublet")





@calculate.command()

def simulate_doublet(

) -> None:

    input_data = xr.Dataset({

        "thickness_mean": ((), 300),

        "thickness_sd": ((), 50),

        "ntg": ((), 0.5),

        "porosity": ((), 0.5),

        "depth": ((), 5000),

        "ln_permeability_mean": ((), 5),

        "ln_permeability_sd": ((), 0.5),

    })

    run_script(calculate_doublet_performance, input_data)





if __name__ == "__main__":

    app()
 
 No newline at end of file