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Removing pypdb from the run requirement
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chryswoods committed Mar 27, 2023
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1 change: 1 addition & 0 deletions doc/source/changelog.rst
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@@ -58,6 +58,7 @@ organisation on `GitHub <https://github.com/openbiosim/sire>`__.
of pinned dependencies for :mod:`sire`. This included fixing the way we
specify ``blas`` so that we don't force a pin to ``openblas``,
removing the requirement for ``watchdog`` as it is not used any more,
removing ``pypdb`` from the BioSimSpace run requirements,
and switching to ``qt-main`` rather than the entire ``qt`` package. Our run
dependencies are now just ``boost``, ``gsl``, ``lazy_import``,
``libnetcdf``, ``openmm``, ``pandas``, ``qt-main``, ``rich`` and ``tbb``.
1 change: 0 additions & 1 deletion requirements_bss.txt
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@@ -26,7 +26,6 @@ parmed
py3dmol
pydot
pygtail
pypdb
pyyaml
rdkit

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