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Integrate Cb fix #91

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Integrate Cb fix #91

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de1cbc5
Merge branch 'upgrade-python' into feat/ROTAMERS-53
universvm May 31, 2022
f083f73
#55 Add polar channel
universvm May 31, 2022
7bde127
Remove print statements
universvm May 31, 2022
4ab45c9
cbfix prevoxelisation and update version
sunal1996 Dec 13, 2023
85c4ce9
add the tests associated with cbfix
sunal1996 Dec 13, 2023
bace7ac
Merge branch 'testfix' into cbfix
sunal1996 Dec 13, 2023
3f2d191
Add polarity measure
universvm Jun 13, 2022
481f29d
Fix non-standard residue input
universvm Jun 28, 2022
933d54f
Add polarity as a separate option
universvm Jul 25, 2022
db16371
Fix CLI to work with CNOCBCAP
universvm Jul 25, 2022
35d755c
Merge master
universvm Dec 13, 2023
8d709f6
Merge branch 'feat/ROTAMERS-53' into cbfix
sunal1996 Dec 13, 2023
a5efb31
black format the files, config-pyproject-setup to 3.0.0
sunal1996 Dec 14, 2023
264dfef
add modified tests for cnocbcaq and cnocbcap
sunal1996 Dec 14, 2023
79cd804
Fix versionin
universvm Dec 15, 2023
ed91a0a
Fix make-frame-dataset on pyproject.toml
universvm Dec 15, 2023
4366a0c
Fix version
universvm Dec 15, 2023
962fd9b
Add python wheels as artifacts
universvm Dec 15, 2023
ae842c5
Fix artifact name wiht python version
universvm Dec 15, 2023
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10 changes: 10 additions & 0 deletions .github/workflows/python-build.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -36,3 +36,13 @@ jobs:
run: |
pip install wheel
python setup.py bdist_wheel
- name: Build source distribution
run: |
python setup.py sdist
- name: Upload wheel and source distribution
uses: actions/upload-artifact@v3
with:
name: python-package-${{ matrix.python-version }}
path: |
dist/*.whl
dist/*.tar.gz
7 changes: 5 additions & 2 deletions pyproject.toml
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Expand Up @@ -3,8 +3,8 @@ requires = ["setuptools", "wheel", "Cython"]
build-backend = "setuptools.build_meta"

[project]
name = "Aposteriori"
version = "2.1.2"
name = "aposteriori"
version = "2.2.0"
requires-python = ">= 3.8"
readme = "README.md"
dependencies = [
Expand All @@ -14,3 +14,6 @@ dependencies = [
"numpy",
"flake8"
]

[project.scripts]
make-frame-dataset = "aposteriori.data_prep.cli:cli"
2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -5,7 +5,7 @@

setup(
name="aposteriori",
version="2.1.2",
version="2.2.0",
author="Wells Wood Research Group",
author_email="[email protected]",
description="A library for the voxelization of protein structures for protein design.",
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