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Updated the version number and changelog
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chryswoods committed Apr 5, 2023
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25 changes: 25 additions & 0 deletions doc/source/changelog.rst
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Expand Up @@ -12,6 +12,31 @@ Development was migrated into the
`OpenBioSim <https://github.com/openbiosim>`__
organisation on `GitHub <https://github.com/openbiosim/sire>`__.

`2023.2.1 <https://github.com/openbiosim/sire/compare/2023.2.0...2023.2.1>`__ - April 2023
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* Added in ``openmmtools`` as a host requirement. This allows it to be installed in the
same environment as :mod:`sire`. Note that this changes the dependencies of :mod:`sire`
to use an older version of ``libnetcdf``. `PR 34 <https://github.com/OpenBioSim/sire/pull/34>`__

* Reactivated the parallel processing code in the Amber parameter/topology parser.
This significantly speeds up reading and writing of Amber parameter/topology files.

* Fixed compile issues with some MacOS compilers using the C++ 2017 standard, when
``std::unary_function`` has been removed.

* Fixed the lookup of Gromacs wildcard dihedrals of the form ``A-*-*-D``.

* Added full support for Urey-Bradley terms in the Gromacs topology parser.

* Added full support for harmonic improper angles in the Gromacs topology parser.
Note that we don't yet have support for these in the molecular mechanic engine
or the openmm converter, so they can only currently be read and written.

* Added a developer check for when the version number has changed, so that
people compiling manually know when they have to rebuild from scratch.


`2023.2.0 <https://github.com/openbiosim/sire/compare/2023.1.3...2023.2.0>`__ - March 2023
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2 changes: 1 addition & 1 deletion version.txt
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@@ -1 +1 @@
2023.2.0
2023.2.1

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