[BUG] installation of oxpy fails with setuptools==65.0.0

[elija-feigl]

Describe the bug
Installation of most recent oxpy version fails with setuptools v65.0
Here is the relevant output:

Created wheel for oxpy: filename=oxpy-3.6.2.dev68+gd527509d.d20241022-py3-none-any.whl size=1860516 sha256=16e718f03296747c00f976ced54a126bd9fc4a78ec74a59b808c8b125da7261e
  Stored in directory: /tmp/pip-ephem-wheel-cache-9y1m6yxl/wheels/ae/51/d2/33fb6ee7de8496ff3ab9246764043d1bfe1bafa363ae45e83b
  WARNING: Built wheel for oxpy is invalid: Wheel has unexpected file name: expected '3.6.2.dev68+gd527509d', got '3.6.2.dev68+gd527509d.d20241022'

the date tag of the commit appears to be the cause.

upgrading to the latest version v75 of setuptools resolved the issue.
the same setup has worked a few weeks ago, so this might be caused by a recent misalignment with setuptools and setuptools-scm (which I believe handles versioning).

To Reproduce
Steps to reproduce the behavior:

1. install current oxpy with setuptools v65.0

Expected behavior
As far as I could tell oxpy requirements are set to setuptools>45

• either change versioning setup to be compatible with this version
• or raise the setuptools requirements

Desktop (please complete the following information):

• OS: [e.g. Linux]
• oxDNA Version [e.g. 3.0.0]
• cmake/make/compiler versions

Additional context
I cannot tell for sure which version causes the issue, as I dont have insight about the scm setup
A quick review of the setuptools changelog I found these:
Version 66.0.0:
Fixed an issue with setuptools_scm not appending date tags correctly.
Version 70.0.0:
Improved compatibility with setuptools_scm for versioning.

[lorenzo-rovigatti]

Thanks for the report. Unfortunately, I cannot reproduce the bug by cloning a conda environment where oxpy can be successfully installed and then downgrading setuptools to version 65.0. Can you post the output of pip freeze?

[elija-feigl]

Apologies the version was not entirely correct.
its a clean built on a linux container for a CI workflow and CPython (3.10.15), so the setup is very minimal. here is the pip list output as pip freeze is empty.

Package Version

---

pip 24.2
setuptools 65.5.0

the error first occurred on commit d527509
I also can reproduce it with the latest commit 3bcd621

Today I also cannot reproduce the Bug on my M1 Mac by downgrading to 65.5.0 and rerunning make install, but I did have the same issue on Wednesday on my Mac. The python version is slightly different too.

Its definitely mysterious to me and I am not entirely sure what the actual cause it.
... either way upgrading setuptools fixes the issue.
Maybe then no action is required as it might be very specific to my setup and its unlikely lots of other people run into the same issue. If they do just tell them to upgrade setuptools

[lorenzo-rovigatti]

I'll close this one since we cannot seem to find a way to reproduce it reliably, but I have added a mention to this issue to the "known issues" list in the docs.

[elija-feigl]

reoccured when I tried to install a related project on my Mac. manually upgrading setuptools and rerunning make install did again resolve the issue

WARNING: Built wheel for oxpy is invalid: Wheel has unexpected file name: expected '3.6.2.dev72+gb191c3d4', got '3.6.2.dev72+gb191c3d4.d20241028' ... Failed to build oxpy ERROR: ERROR: Failed to build installable wheels for some pyproject.toml based projects (oxpy)

here is the output of pip freeze if you want to try reproducing is (keep in mind this might contain some packages not required by oxpy as it is an installation of oxpy for a related project)

2 things that might me noteworthy:

• older versoins of oxpy and oat are installed and directly linked through the install process. (this was not the case in my precious setup, so I dont believe it is the issue)
• setuptools and setuptools-scm are only installed by the backend step of "make install" and not via pip. so they are not listed by freeze

pip freeze

anyio==4.4.0
argon2-cffi==23.1.0
argon2-cffi-bindings==21.2.0
asttokens==2.4.1
attrs==24.2.0
babel==2.16.0
backports.tarfile==1.2.0
beautifulsoup4==4.12.3
black==24.10.0
build==1.2.1
cachetools==5.5.0
Cerberus==1.3.5
certifi==2024.7.4
cffi==1.17.0
cfgv==3.4.0
Chameleon==4.5.4
chardet==5.2.0
charset-normalizer==3.3.2
check-manifest==0.49
click==8.1.0
cmarkgfm==2024.1.14
colorama==0.4.6
contourpy==1.2.1
coverage==7.6.1
cycler==0.12.1
decorator==5.1.1
defusedxml==0.7.1
devpi==2.2.0
devpi-client==7.1.0
devpi-common==4.0.4
devpi-server==6.12.1
devpi-web==4.2.2
distlib==0.3.8
docutils==0.21.2
exceptiongroup==1.2.2
executing==2.0.1
filelock==3.15.4
flake8==7.1.1
fonttools==4.53.1
ghp-import==2.1.0
griffe==1.4.1
h11==0.14.0
httpcore==1.0.5
httpx==0.27.0
hupper==1.12.1
identify==2.6.0
idna==3.7
importlib_metadata==8.4.0
iniconfig==2.0.0
ipdb==0.13.13
ipython==8.27.0
itsdangerous==2.2.0
jaraco.classes==3.4.0
jaraco.context==6.0.1
jaraco.functools==4.0.2
jedi==0.19.1
Jinja2==3.1.4
joblib==1.4.2
keyring==25.3.0
kiwisolver==1.4.5
lazy==1.6
Markdown==3.7
MarkupSafe==2.1.5
matplotlib==3.9.2
matplotlib-inline==0.1.7
mccabe==0.7.0
mergedeep==1.3.4
mkdocs==1.6.1
mkdocs-autorefs==1.2.0
mkdocs-click==0.8.1
mkdocs-get-deps==0.2.0
mkdocs-material==9.5.40
mkdocs-material-extensions==1.3.1
mkdocstrings==0.26.2
mkdocstrings-python==1.12.0
more-itertools==10.4.0
mypy==1.11.1
mypy-extensions==1.0.0
nh3==0.2.18
nodeenv==1.9.1
numpy==2.0.1
oxDNA-analysis-tools @ file://localhost//Users/.../oxDNA/analysis/
oxpy @ file:///Users/.../oxDNA/build/oxpy/python/oxpy
packaging==24.1
packaging-legacy==23.0.post0
paginate==0.5.7
parso==0.8.4
passlib==1.7.4
PasteDeploy==3.1.0
pathspec==0.12.1
pexpect==4.9.0
pillow==10.4.0
pkginfo==1.11.1
plaster==1.1.2
plaster-pastedeploy==1.0.1
platformdirs==4.2.2
pluggy==1.5.0
pre-commit==3.8.0
prompt_toolkit==3.0.47
ptyprocess==0.7.0
pure_eval==0.2.3
py==1.11.0
pycodestyle==2.12.1
pycparser==2.22
pyflakes==3.2.0
Pygments==2.18.0
pymdown-extensions==10.11.2
pyparsing==3.1.2
pyproject-api==1.7.1
pyproject_hooks==1.1.0
pyramid==2.0.2
pyramid_chameleon==0.3
pytest==8.3.2
pytest-cov==5.0.0
pytest-html==4.1.1
pytest-lazy-fixtures==1.1.1
pytest-metadata==3.1.1
python-dateutil==2.9.0.post0
PyYAML==6.0.1
pyyaml_env_tag==0.1
readme_renderer==44.0
regex==2024.9.11
repoze.lru==0.7
requests==2.32.3
ruamel.yaml==0.18.6
ruamel.yaml.clib==0.2.8
scikit-learn==1.5.1
scipy==1.14.0
six==1.16.0
sniffio==1.3.1
soupsieve==2.6
stack-data==0.6.3
strictyaml==1.7.3
threadpoolctl==3.5.0
tomli==2.0.1
tox==4.18.0
traitlets==5.14.3
translationstring==1.4
types-PyYAML==6.0.12.20240311
typing_extensions==4.12.2
urllib3==2.2.2
venusian==3.1.0
virtualenv==20.26.3
waitress==3.0.0
watchdog==5.0.3
wcwidth==0.2.13
WebOb==1.8.8
Whoosh==2.7.4
zipp==3.20.0
zope.deprecation==5.0
zope.interface==7.0.1

[lorenzo-rovigatti]

Thanks for the update. I still can't reproduce the issue, but will reopen the thread to see whether there are other people that have experienced it.