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benmwebb committed Dec 13, 2023
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Expand Up @@ -2,9 +2,62 @@ ChangeLog {#changelog}
=========

# HEAD
- The Windows .exe installer now supports Python 3.7 through 3.12.
- RPM packages for IMP for RedHat Linux (and clones such as Alma or Rocky)
and for Fedora are now provided by the
[COPR project](https://copr.fedorainfracloud.org/coprs/salilab/salilab/).
Dependencies such as RMF and python-ihm are now packaged separately so that
they can be updated independently of IMP itself.
- We no longer provide packages for Ubuntu 18.04 LTS (Bionic Beaver), as it
reached end of life in May 2023.
- The Windows .exe installer now supports Python 3.7 through 3.12.
- IMP::atom::Chain objects now track the sequence offset (if any) between
FASTA and PDB residue numbering, and the UniProt accession (if known) of
the sequence. This information is also stored in RMF files.
- PMI's FASTA file reader now reads the UniProt accession for each sequence,
if provided.
- IMP::atom::ChainPDBSelector now takes a list of chain IDs, rather than a
single string, so that it can select chains with multi-character IDs.
When working with mmCIF files, it will now select based on the author-provided
chain ID, if available, for consistency with the naming of IMP::atom::Chain
particles.
- The IMP::rmf::load_frame and IMP::rmf::save_frame functions now warn if they
are called before links to IMP objects have been made (as this is a noop).
- IMP::saxs::Restraint has seen performance improvements, and will now use a
GPU for speedup if IMP is built with CUDA support.
- IMP::saxs::Restraint will now report an error if it is given invalid
particles; previously they would be silently ignored.
- The IMP::mmcif module has been rewritten to work with modern RMF files
and IMP::sampcon output.
- The `multi_foxs` command line tool now provides the same `--offset` option
that `foxs` does.
- Model attributes can now use sparse rather than vector storage. This reduces
memory usage for attributes that are used by a minority of particles.
- The `IMP_NOEXCEPT` pre-C++11 compatibility macro has been removed; use
the C++ `noexcept` keyword instead.
- The CMake `IMP_PER_CPP_COMPILATION` and `IMP_CUDA` variables can now be set
to `ALL` to build all IMP modules one .cpp at a time, or with CUDA support,
respectively.
- PMI no longer supports old PMI1-style hierarchies. The
IMP::pmi::get_is_canonical function, which detects PMI2-style hierarchies,
should thus be assumed to always return true, and has been deprecated.
- Windows builds now require MS Visual Studio 2017 or later.
- IMP::algebra::Rotation3D::get_derivative(),
IMP::algebra::Rotation3D::get_gradient(),
IMP::algebra::get_gradient_of_composed_with_respect_to_first(), and
IMP::algebra::get_gradient_of_composed_with_respect_to_second() have been
removed; instead use IMP::algebra::Rotation3D::get_gradient_of_rotated(),
IMP::algebra::Rotation3D::get_jacobian_of_rotated(),
IMP::algebra::get_jacobian_of_composed_wrt_first(), and
IMP::algebra::get_jacobian_of_composed_wrt_second(), respectively.
- The IMP::core::IncrementalScoringFunction class has been removed. Use
IMP::core::MonteCarlo::set_score_moved or
IMP::ScoringFunction::evaluate_moved instead.
- The IMP::em2d::CenteredMat and IMP::em2d::Fine2DRegistrationRestraint
classes, which are used only internally, have been removed.
- The base_utility.h and base_static.h headers have been removed; use utility.h
and static.h instead, respectively.
- The vector_property_map.h compatibility header has been removed;
use Boost's boost/property_map/property_map.hpp header instead.

# 2.19.0 - 2023-06-22 # {#changelog_2_19_0}
- Most IMP Value and Object types can now be serialized (or pickled in Python).
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