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fix supported Python metadata
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- fix #238
- bump release to 0.8.4
- update CI actions to recent versions
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orbeckst committed Mar 13, 2023
1 parent 360922f commit 11f0daf
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12 changes: 7 additions & 5 deletions .github/workflows/ci.yaml
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Expand Up @@ -41,7 +41,7 @@ jobs:
include:
- os: ubuntu-latest
python-version: "2.7"
gromacs-version: "4.6.5"
gromacs-version: "4.6.5"
- os: ubuntu-latest
python-version: "3.10"
gromacs-version: "4.6.5"
Expand All @@ -63,9 +63,10 @@ jobs:


steps:
- uses: actions/checkout@v2
- uses: actions/checkout@v3

- uses: conda-incubator/setup-miniconda@v2
- name: setup miniconda (Python ${{ matrix.python-version }})
uses: conda-incubator/setup-miniconda@v2
with:
python-version: ${{ matrix.python-version }}
auto-update-conda: true
Expand All @@ -82,7 +83,7 @@ jobs:
conda config --show-sources
conda config --show
- name: Python version
- name: Python version ${{ matrix.python-version }}
shell: bash -l {0}
run: |
python -c "import sys; print(sys.version)"
Expand Down Expand Up @@ -113,7 +114,8 @@ jobs:
pytest -v --disable-pytest-warnings --durations=20 --low-performance --cov=gromacs --cov-report=xml --color=yes ./tests
- name: Codecov
uses: codecov/codecov-action@v1
uses: codecov/codecov-action@v3
with:
name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
file: ./coverage.xml
fail_ci_if_error: false
6 changes: 6 additions & 0 deletions CHANGES
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Expand Up @@ -2,6 +2,12 @@
CHANGELOG for GromacsWrapper
==============================

2023-03-13 0.8.4
orbeckst

* fix supported Python metadata in setup.py (#238)


2023-03-09 0.8.3
orbeckst

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2 changes: 2 additions & 0 deletions setup.py
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Expand Up @@ -42,6 +42,8 @@
'Programming Language :: Python :: 3.7',
'Programming Language :: Python :: 3.8',
'Programming Language :: Python :: 3.9',
'Programming Language :: Python :: 3.10',
'Programming Language :: Python :: 3.11',
'Topic :: Scientific/Engineering :: Bio-Informatics',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Software Development :: Libraries :: Python Modules',
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