Comments (2)
Hi Tim,
It's all a bit of a moving target unfortunately. I'm worried that pykinsol
and pycvodes
probably won't compile with latest Sundials (they've made breaking changes between 5->6 I believe). Those projects should ideally be updated to support latest release. But I will not be able to find the time to do so myself in the foreseeable future.
And I'm not sure GSL even supports Windows.
On Windows your best bet is to use subsystem for Linux (WSL2) and then either install directly there, or build a container (using either podman
or docker
). Here's a Containerfile
which passes all of ChemPy's tests for Python 3.11:
FROM docker.io/python:3.11
RUN \
apt-get update \
&& apt-get --quiet --assume-yes --no-install-recommends install \
locales sudo tzdata apt-transport-https ca-certificates graphviz texlive-latex-recommended \
&& echo "LC_ALL=en_US.UTF-8" >> /etc/environment \
&& echo "en_US.UTF-8 UTF-8" >> /etc/locale.gen \
&& echo "LANG=en_US.UTF-8" > /etc/locale.conf \
&& locale-gen en_US.UTF-8 \
&& update-ca-certificates \
&& apt-get --quiet --assume-yes dist-upgrade \
&& apt-get --quiet --assume-yes --no-install-recommends install \
libsundials-dev libgsl-dev libboost-math-dev \
&& rm -rf /tmp/* /var/tmp/*
RUN \
python3 -m pip install --upgrade cython pip chempy pytest pygslodeiv2 pyodeint pycodeexport appdirs \
&& CPATH=/usr/include/suitesparse/ PYCVODES_NO_LAPACK=1 python3 -m pip install pycvodes \
&& python3 -m pytest --pyargs pycvodes pygslodeiv2 pyodeint sym symengine finitediff block_diag_ilu \
&& rm -rf /tmp/*
RUN \
python3 -m pytest -ra --pyargs pyodesys chempy
from chempy.
Related Issues (20)
- Check if reaction is stoichiometry balanced HOT 1
- Equilibrium root fails with water & co2-hydrolysis test
- Interest in chemical group theory component? HOT 3
- 7 tests fail on FreeBSD HOT 2
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- Interpreting malformed chemical formulas as substances HOT 32
- Suggestion: Funding coding or documentation through Google Summer of Code or Season of Docs HOT 1
- Please fill out SymPy documentation theme survey
- Test ChemPy with SymPy 1.10rc2 HOT 1
- Update README for improved chemical formula parser HOT 8
- New release? HOT 1
- Issue with Balancing Reactions (from examples) HOT 3
- FYI: ChemPy mentioned in Talk Python to Me podcast HOT 1
- Balancing reactions with non-integer stoichiometry HOT 1
- Two pytests are failing in our GitHub Action HOT 3
- Chempy documentation issues HOT 4
- Give two dict() in chemstry.Reaction() not work HOT 5
- 5 tests fail HOT 2
- Zn(NO3)2.6H2O fails to parse in 0.8.3, regression? HOT 9
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from chempy.