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uclchem / UCLCHEM

UCLCHEM - A gas-grain chemical code for Astrochemistry.
MIT License
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Setup.py calls #41

Closed GijsVermarien closed 8 months ago

GijsVermarien commented 10 months ago

Currently the code is compiled 3 times instead of just one, causing the installer to run much slower. Confirmed with the following snippet added to setup.py

from datetime import datetime
with open("log.txt", 'a') as logfile:
    logfile.write(str(datetime.now()) + '\n')

Which creates the file (only running once):

  14:36:54 with uclchem_osx as gijsv in ~/uclchem/UCLCHEM at main(!?)
👨🏻‍💻 >  cat log.txt
2023-09-01 14:34:40.932011
2023-09-01 14:35:16.858450
2023-09-01 14:35:50.135776
GijsVermarien commented 10 months ago

It seems to happen during the following steps:

of the full output:

  16:20:18 with uclchem_osx as gijsv in ~/uclchem/UCLCHEM at main(!?)
👨🏻‍💻 >  pip install -e .
Obtaining file:///Users/gijsv/uclchem/uclchem
  Installing build dependencies ... done
  Checking if build backend supports build_editable ... done
  Getting requirements to build editable ... done
  Preparing editable metadata (pyproject.toml) ... done
Requirement already satisfied: pyyaml in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from uclchem==3.2.1.post1+git.dd6fe01a.dirty) (5.4.1)
Requirement already satisfied: numpy in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from uclchem==3.2.1.post1+git.dd6fe01a.dirty) (1.24.2)
Requirement already satisfied: matplotlib in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from uclchem==3.2.1.post1+git.dd6fe01a.dirty) (3.7.1)
Requirement already satisfied: seaborn in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from uclchem==3.2.1.post1+git.dd6fe01a.dirty) (0.12.2)
Requirement already satisfied: pandas in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from uclchem==3.2.1.post1+git.dd6fe01a.dirty) (1.5.3)
Requirement already satisfied: pyparsing>=2.3.1 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (3.0.9)
Requirement already satisfied: cycler>=0.10 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (0.11.0)
Requirement already satisfied: contourpy>=1.0.1 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (1.0.7)
Requirement already satisfied: kiwisolver>=1.0.1 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (1.4.4)
Requirement already satisfied: packaging>=20.0 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (23.0)
Requirement already satisfied: fonttools>=4.22.0 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (4.39.0)
Requirement already satisfied: pillow>=6.2.0 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (9.4.0)
Requirement already satisfied: python-dateutil>=2.7 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (2.8.2)
Requirement already satisfied: pytz>=2020.1 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from pandas->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (2022.7.1)
Requirement already satisfied: six>=1.5 in /Users/gijsv/opt/miniconda3/envs/uclchem_osx/lib/python3.10/site-packages (from python-dateutil>=2.7->matplotlib->uclchem==3.2.1.post1+git.dd6fe01a.dirty) (1.16.0)
Building wheels for collected packages: uclchem
  Building editable for uclchem (pyproject.toml) ... done
  Created wheel for uclchem: filename=uclchem-3.2.1.post1+git.dd6fe01a.dirty-0.editable-py3-none-any.whl size=4771 sha256=b12e8e07d0eb7d2b96245bd662b115a4cfdef1840761ca42f32b7952517e0e39
  Stored in directory: /private/var/folders/4m/j9mbn77d5yz3nd11sczzcyq40000gn/T/pip-ephem-wheel-cache-34hqchpu/wheels/21/ec/dc/37834b637a177ae3b1136c18aec4a71c5773c422d095715783
Successfully built uclchem
Installing collected packages: uclchem
  Attempting uninstall: uclchem
    Found existing installation: uclchem 3.2.1.post1+git.dd6fe01a.dirty
    Uninstalling uclchem-3.2.1.post1+git.dd6fe01a.dirty:
      Successfully uninstalled uclchem-3.2.1.post1+git.dd6fe01a.dirty
Successfully installed uclchem-3.2.1.post1+git.dd6fe01a.dirty