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bjodah avatar bjodah commented on August 11, 2024

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.

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