pyEQL

pyEQL: A Python interface for water chemistry - Published in JOSS (2024)

https://github.com/KingsburyLab/pyEQL

Science Score: 77.0%

This score indicates how likely this project is to be science-related based on various indicators:

✓
CITATION.cff file
Found CITATION.cff file
✓
codemeta.json file
Found codemeta.json file
✓
.zenodo.json file
Found .zenodo.json file
✓
DOI references
Found 3 DOI reference(s) in README
✓
Academic publication links
Links to: joss.theoj.org, zenodo.org
✓
Committers with academic emails
7 of 18 committers (38.9%) from academic institutions
○
Institutional organization owner
○
JOSS paper metadata
○
Scientific vocabulary similarity
Low similarity (16.6%) to scientific vocabulary

Keywords from Contributors

mesh

Scientific Fields

Materials Science Physical Sciences - 84% confidence

Engineering Computer Science - 60% confidence

Last synced: 4 months ago · JSON representation ·

Repository

A Python library for solution chemistry

Basic Info

Host: GitHub
Owner: KingsburyLab
License: other
Language: Python
Default Branch: main
Homepage:
Size: 3.9 MB

Statistics

Stars: 70
Watchers: 3
Forks: 22
Open Issues: 20
Releases: 43

Created about 12 years ago · Last pushed 4 months ago

Metadata Files

Readme Changelog Contributing License Citation Authors Zenodo

A python interface for water chemistry

Description

The goal of pyEQL is to provide a stable, intuitive, easy to learn python interface for water chemistry that can be connected to a variety of different modeling engines

Specifically, pyEQL defines a Solution class to represent an aqueous electrolyte solution. The Solution class allows the user to manipulate solutions as Python objects, providing methods to populate them with solutes, calculate species-specific properties (such as activity and diffusion coefficients), and retrieve bulk properties (such as density, conductivity, or volume).

```python

from pyEQL import Solution s1=Solution({"Na+":"1 mol/L", "Cl-": "1 mol/L"}) s1.density s1.conductivity s1.osmoticpressure.to('atm') <Quantity(46.7798197, 'standardatmosphere')> s1.get_amount('Na+', 'ug/L') ```

pyEQL also includes a number of other utilities to support water chemistry analysis, including a built-in property database of diffusion coefficients, activity correction parameters, and other data on a variety of common electrolytes.

It is designed to be customizable and easy to integrate into projects that require modeling of chemical thermodyanmics of aqueous solutions. It aspires to provide a flexible, extensible framework for the user, with a high level of transparency about data sources and calculation methods.

Key Features

Build accurate solution properties using a minimum of inputs. Just specify the identity and quantity of a solute and pyEQL will do the rest.
"Graceful Decay" from more sophisticated, data-intensive modeling approaches to simpler, less accurate ones depending on the amount of data supplied.
Not limited to dilute solutions. pyEQL contains out of the box support for the Pitzer Model and other methods for modeling concentrated solutions.
Built in database containing hundreds of model parameters and physicochemical properties for different ions.
Units-aware calculations (by means of the pint library)

Documentation

Detailed documentation is available at https://pyeql.readthedocs.io/

Dependencies

Python 3.10+. This project will attempt to adhere to NumPy's NEP 29 deprecation policy for older version of Python.
pint - for units-aware calculations
pymatgen - periodic table and chemical formula information
phreeqpython - for PHREEQC-based speciation calculations
iapws - equations of state for water
monty - serialization and deserialization utilities
maggma - interface for accessing the property database
scipy - for certain nonlinear equation solvers

pyEQL is licensed under LGPL.

This project has been set up using PyScaffold 4.5. For details and usage information on PyScaffold see https://pyscaffold.org/.

Owner

Name: Kingsbury Research Lab
Login: KingsburyLab
Kind: organization
Location: United States of America

Website: https://kingsburylab.org
Twitter: KingsburyLab
Repositories: 2
Profile: https://github.com/KingsburyLab

Kingsbury Research Group

Citation (CITATION.cff)

cff-version: "1.2.0"
authors:
  - family-names: Kingsbury
    given-names: Ryan
    orcid: "https://orcid.org/0000-0002-7168-3967"
doi: 10.5281/zenodo.8332915
message: If you use this software, please cite our article in the
  Journal of Open Source Software.
preferred-citation:
  authors:
    - family-names: Kingsbury
      given-names: Ryan
      orcid: "https://orcid.org/0000-0002-7168-3967"
  date-published: 2024-03-25
  doi: 10.21105/joss.06295
  issn: 2475-9066
  issue: 95
  journal: Journal of Open Source Software
  publisher:
    name: Open Journals
  start: 6295
  title: "pyEQL: A Python interface for water chemistry"
  type: article
  url: "https://joss.theoj.org/papers/10.21105/joss.06295"
  volume: 9
title: "pyEQL: A Python interface for water chemistry"

GitHub Events

Total

Create event: 110
Release event: 2
Issues event: 25
Watch event: 3
Delete event: 105
Issue comment event: 144
Push event: 87
Pull request review comment event: 52
Pull request review event: 47
Pull request event: 122
Fork event: 11

Last Year

Create event: 110
Release event: 2
Issues event: 25
Watch event: 4
Delete event: 105
Issue comment event: 144
Push event: 87
Pull request review comment event: 52
Pull request review event: 47
Pull request event: 122
Fork event: 11

Committers

Last synced: 5 months ago

All Time

Total Commits: 1,152
Total Committers: 18
Avg Commits per committer: 64.0
Development Distribution Score (DDS): 0.6

Past Year

Commits: 195
Committers: 11
Avg Commits per committer: 17.727
Development Distribution Score (DDS): 0.6

Top Committers

Name	Email	Commits
Ryan Kingsbury	r****y	461
Ryan S. Kingsbury	R**y@a**u	319
github-actions	g**s@g**m	205
Ryan S. Kingsbury	r**y@a**u	39
dependabot[bot]	4****]	30
Ugochukwu Nwosu	u**w@g**m	26
DhruvDuseja	d**a@g**m	18
Kirill Pushkarev	7****h	17
Arpit Bhardwaj	a**3@g**u	13
Nikhil Dhruv	6****v	5
Jaebeom Park	j**2@p**u	5
Andrew S. Rosen	a**3@g**m	3
Sui Xiong Tay	s**1@t**u	3
Ryan S. Kingsbury	r**y@a**t	3
githubalexliu	m**u@g**m	2
Yitong Pan	y**1@p**u	1
Sui Xiong Tay	s**1@p**u	1
YitongPan1	1****1	1

Committer Domains (Top 20 + Academic)

princeton.edu: 3 alumni.unc.edu: 2 alumni.utexas.net: 1 tiger3.princeton.edu: 1 gatech.edu: 1 github.com: 1

Issues and Pull Requests

Last synced: 4 months ago

All Time

Total issues: 33
Total pull requests: 230
Average time to close issues: about 2 months
Average time to close pull requests: 9 days
Total issue authors: 7
Total pull request authors: 13
Average comments per issue: 0.85
Average comments per pull request: 1.32
Merged pull requests: 151
Bot issues: 0
Bot pull requests: 81

Past Year

Issues: 17
Pull requests: 129
Average time to close issues: 2 months
Average time to close pull requests: 11 days
Issue authors: 5
Pull request authors: 11
Average comments per issue: 0.88
Average comments per pull request: 1.5
Merged pull requests: 75
Bot issues: 0
Bot pull requests: 47

View more stats

Top Authors

Issue Authors

rkingsbury (19)
ugognw (6)
xiaoxiaozhu123 (3)
abhardwaj73 (2)
jaichanders (1)
defencedog (1)
Konjkov (1)

Pull Request Authors

rkingsbury (83)
dependabot[bot] (54)
github-actions[bot] (30)
SuixiongTay (16)
ugognw (14)
NikhilDhruv (11)
abhardwaj73 (10)
Ouriel-N (6)
YitongPan1 (6)
Jaebeom-P (2)
gnuhpdiem (2)
githubalexliu (2)
Andrew-S-Rosen (1)

Top Labels

Issue Labels

docs (7) Good First Issue (6) fix (4) enhancement (2) release:patch (1) dependencies (1) housekeeping (1) github_actions (1)

Pull Request Labels

dependencies (98) github_actions (36) fix (31) python (29) housekeeping (19) docs (19) enhancement (17) release:patch (15) pkg (11) release:minor (9) breaking (2) feature (1) release:major (1)

Packages

Total packages: 1
Total downloads:
- pypi 659 last-month

Total dependent packages: 0
Total dependent repositories: 1
Total versions: 42
Total maintainers: 1

pypi.org: pyeql

A python interface for solution chemistry

Documentation: https://pyeql.readthedocs.io/
License: other
Latest release: 1.3.1
published 4 months ago

Versions: 42
Dependent Packages: 0
Dependent Repositories: 1
Downloads: 659 Last month

Rankings

Stargazers count: 10.0%

Dependent packages count: 10.0%

Downloads: 10.1%

Forks count: 12.5%

Average: 12.9%

Dependent repos count: 21.7%

Maintainers (1)

rkingsbury

Last synced: 4 months ago

Dependencies

setup.py pypi

pint *

.github/workflows/post-process.yml actions

rymndhng/release-on-push-action v0.28.0 composite

.github/workflows/release.yml actions

actions/checkout v4 composite
actions/setup-python v4 composite
pypa/gh-action-pypi-publish v1.8.10 composite

.github/workflows/testing.yaml actions

actions/checkout v4 composite
actions/setup-python v4 composite
codecov/codecov-action v3 composite

.github/workflows/upgrade_dependencies.yml actions

actions/checkout v4 composite
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docs/requirements.txt pypi

iapws *
maggma *
monty *
myst-parser *
pint *
pymatgen >=2022.0.17
scipy *
sphinx >=3.2.1
sphinx-rtd-theme *

pyproject.toml pypi

requirements/macos-latest_py3.10.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
exceptiongroup ==1.2.0 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
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pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
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pymongo ==4.6.1 test
pynacl ==1.5.0 test
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python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
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tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/macos-latest_py3.10_extras.txt pypi

133 dependencies

requirements/macos-latest_py3.11.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/macos-latest_py3.11_extras.txt pypi

131 dependencies

requirements/macos-latest_py3.12.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
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pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
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python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
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starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
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tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
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uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/macos-latest_py3.12_extras.txt pypi

131 dependencies

requirements/macos-latest_py3.9.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
exceptiongroup ==1.2.0 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
importlib-metadata ==7.0.0 test
importlib-resources ==6.1.1 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
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pint ==0.23 test
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python-dateutil ==2.8.2 test
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pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
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requirements/macos-latest_py3.9_extras.txt pypi

136 dependencies

requirements/ubuntu-latest_py3.10.txt pypi

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annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
exceptiongroup ==1.2.0 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
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phreeqpython ==1.5.0 test
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pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/ubuntu-latest_py3.10_extras.txt pypi

133 dependencies

requirements/ubuntu-latest_py3.11.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/ubuntu-latest_py3.11_extras.txt pypi

131 dependencies

requirements/ubuntu-latest_py3.12.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/ubuntu-latest_py3.12_extras.txt pypi

131 dependencies

requirements/ubuntu-latest_py3.9.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
exceptiongroup ==1.2.0 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
importlib-metadata ==7.0.0 test
importlib-resources ==6.1.1 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==1.26.18 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test
zipp ==3.17.0 test

requirements/ubuntu-latest_py3.9_extras.txt pypi

136 dependencies

requirements/windows-latest_py3.10.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
colorama ==0.4.6 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
exceptiongroup ==1.2.0 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/windows-latest_py3.10_extras.txt pypi

134 dependencies

requirements/windows-latest_py3.11.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
colorama ==0.4.6 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/windows-latest_py3.11_extras.txt pypi

132 dependencies

requirements/windows-latest_py3.12.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
colorama ==0.4.6 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==2.0.7 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test

requirements/windows-latest_py3.12_extras.txt pypi

132 dependencies

requirements/windows-latest_py3.9.txt pypi

aioitertools ==0.11.0 test
annotated-types ==0.6.0 test
anyio ==3.7.1 test
attrs ==23.1.0 test
bcrypt ==4.1.1 test
blinker ==1.7.0 test
boto3 ==1.33.11 test
botocore ==1.33.11 test
certifi ==2023.11.17 test
cffi ==1.16.0 test
charset-normalizer ==3.3.2 test
click ==8.1.7 test
colorama ==0.4.6 test
contourpy ==1.2.0 test
cryptography ==41.0.7 test
cycler ==0.12.1 test
dnspython ==2.4.2 test
exceptiongroup ==1.2.0 test
fastapi ==0.104.1 test
flask ==3.0.0 test
fonttools ==4.46.0 test
future ==0.18.3 test
h11 ==0.14.0 test
iapws ==1.5.3 test
idna ==3.6 test
importlib-metadata ==7.0.0 test
importlib-resources ==6.1.1 test
itsdangerous ==2.1.2 test
jinja2 ==3.1.2 test
jmespath ==1.0.1 test
joblib ==1.3.2 test
jsonschema ==4.20.0 test
jsonschema-specifications ==2023.11.2 test
kiwisolver ==1.4.5 test
latexcodec ==2.0.1 test
maggma ==0.58.0 test
markupsafe ==2.1.3 test
matplotlib ==3.8.2 test
mongogrant ==0.3.3 test
mongomock ==4.1.2 test
monty ==2023.11.3 test
mpmath ==1.3.0 test
msgpack ==1.0.7 test
networkx ==3.2.1 test
numpy ==1.26.2 test
orjson ==3.9.10 test
packaging ==23.2 test
palettable ==3.3.3 test
pandas ==2.1.4 test
paramiko ==3.3.1 test
periodictable ==1.6.1 test
phreeqpython ==1.5.0 test
pillow ==10.1.0 test
pint ==0.23 test
plotly ==5.18.0 test
pybtex ==0.24.0 test
pycparser ==2.21 test
pydantic ==2.5.2 test
pydantic-core ==2.14.5 test
pydantic-settings ==2.1.0 test
pydash ==7.0.6 test
pymatgen ==2023.11.12 test
pymongo ==4.6.1 test
pynacl ==1.5.0 test
pyparsing ==3.1.1 test
python-dateutil ==2.8.2 test
python-dotenv ==1.0.0 test
pytz ==2023.3.post1 test
pyyaml ==6.0.1 test
pyzmq ==25.1.2 test
referencing ==0.32.0 test
requests ==2.31.0 test
rpds-py ==0.13.2 test
ruamel-yaml ==0.17.40 test
ruamel-yaml-clib ==0.2.8 test
s3transfer ==0.8.2 test
scipy ==1.11.4 test
sentinels ==1.0.0 test
six ==1.16.0 test
sniffio ==1.3.0 test
spglib ==2.2.0 test
sshtunnel ==0.4.0 test
starlette ==0.27.0 test
sympy ==1.12 test
tabulate ==0.9.0 test
tenacity ==8.2.3 test
tqdm ==4.66.1 test
typing-extensions ==4.9.0 test
tzdata ==2023.3 test
uncertainties ==3.1.7 test
urllib3 ==1.26.18 test
uvicorn ==0.24.0.post1 test
werkzeug ==3.0.1 test
zipp ==3.17.0 test

requirements/windows-latest_py3.9_extras.txt pypi

137 dependencies

pyEQL

Science Score: 77.0%

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A python interface for water chemistry

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