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pymatgen>=2024.9.10 updated after bugfix and conflict resolve #188

Merged
merged 8 commits into from
Sep 18, 2024
5 changes: 1 addition & 4 deletions .github/workflows/post-process.yml
Original file line number Diff line number Diff line change
Expand Up @@ -34,7 +34,6 @@ jobs:
max-parallel: 6
matrix:
version:
- { python: "3.9", resolution: highest, extras: testing }
- { python: "3.10", resolution: lowest-direct, extras: testing }
- { python: "3.11", resolution: highest, extras: testing }
- { python: "3.12", resolution: lowest-direct, extras: testing }
Expand All @@ -44,9 +43,7 @@ jobs:
- windows-latest
- macos-14
exclude:
- {version: {
python: "3.9" },
os: macos-14 }
- { os: macos-14 }
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runs-on: ${{ matrix.os }}
steps:
- uses: actions/checkout@v4
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5 changes: 2 additions & 3 deletions .github/workflows/testing.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,7 @@ jobs:
max-parallel: 6
matrix:
# for most PRs, test the min and max supported python on every platform, test all python on ubuntu
python-version: ["3.9", "3.12"]
python-version: ["3.10", "3.12"]
os:
- ubuntu-latest
- macos-latest
Expand All @@ -50,7 +50,6 @@ jobs:
# no python 3.9 on the macos-14 runner
exclude:
- os: macos-14
python-version: "3.9"
runs-on: ${{ matrix.os }}
steps:
- uses: actions/checkout@v4
Expand All @@ -77,7 +76,7 @@ jobs:
- name: Setup Python
uses: actions/setup-python@v5
with:
python-version: 3.9
python-version: 3.10
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- name: Install tox
run: |
python -m pip install tox
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8 changes: 4 additions & 4 deletions .github/workflows/upgrade_dependencies.yml
Original file line number Diff line number Diff line change
Expand Up @@ -6,25 +6,25 @@ on:
workflow_dispatch: # Allow running on-demand
schedule:
# Runs on the 10th day of every month at 8:00 UTC (4:00 Eastern)
- cron: '0 8 10 * *'
- cron: "0 8 10 * *"

jobs:
upgrade:
name: ${{ matrix.package }} (${{ matrix.os }}/py${{ matrix.python-version }})
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: ['ubuntu-latest', 'macos-latest', 'windows-latest']
os: ["ubuntu-latest", "macos-latest", "windows-latest"]
package: ["."]
python-version: ["3.9", "3.10", "3.11", "3.12"]
python-version: ["3.10", "3.11", "3.12"]
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
cache: "pip"
- name: Upgrade Python dependencies
shell: bash
run: |
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4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
[![Read the Docs](https://img.shields.io/readthedocs/pyeql)](https://pyeql.readthedocs.io/en/latest/)
[![testing](https://github.com/KingsburyLab/pyeql/workflows/testing/badge.svg)](https://github.com/KingsburyLab/pyeql/actions?query=workflow%3Atesting)
[![codecov](https://codecov.io/gh/KingsburyLab/pyeql/branch/main/graph/badge.svg?token=I7RP0QML6S)](https://codecov.io/gh/KingsburyLab/pyeql)
![Supported python versions](https://img.shields.io/badge/python-3.9%20%7C%203.10%20%7C%203.11%20%7C%203.12-blue)
![Supported python versions](https://img.shields.io/badge/python-3.10%20%7C%203.11%20%7C%203.12-blue)
[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.8332915.svg)](https://doi.org/10.5281/zenodo.8332915)
[![PyPI version](https://badge.fury.io/py/pyEQL.svg)](https://badge.fury.io/py/pyEQL)
[![status](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6/status.svg)](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6)
Expand Down Expand Up @@ -65,7 +65,7 @@ Detailed documentation is available at [https://pyeql.readthedocs.io/](https://p

### Dependencies

- Python 3.9+. This project will attempt to adhere to NumPy's
- Python 3.10+. This project will attempt to adhere to NumPy's
[NEP 29](https://numpy.org/neps/nep-0029-deprecation_policy.html) deprecation policy
for older version of Python.
- [pint](https://github.com/hgrecco/pint) - for units-aware calculations
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2 changes: 1 addition & 1 deletion docs/requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
pint>=0.19
numpy
scipy
pymatgen>=2023.10.11
pymatgen>=2024.9.10
iapws
monty
maggma
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4 changes: 2 additions & 2 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -18,12 +18,12 @@ classifiers=[
"Topic :: Scientific/Engineering",
]
license = {file = "LICENSE"}
requires-python = ">=3.9"
requires-python = ">=3.10"
dependencies = [
"pint>=0.19",
"numpy>1.26,<2",
"scipy>=1.12",
"pymatgen==2024.5.1",
"pymatgen>=2024.9.10",
"iapws>=1.5.3",
"monty>=2024.7.12",
"maggma>=0.67.0",
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