Require pybind 2.6 from environment for gmxapi Python package extension module.

[alexxy/gromacs.git] / docs / release-notes / 2022 / major / portability.rst

diff --git a/docs/release-notes/2022/major/portability.rst b/docs/release-notes/2022/major/portability.rst
index 75c4b4865e1eb4ef908f6c61e495bc603ee6c36d..0998fcde66ea29924a78786283c768a2f31a26df 100644 (file)
--- a/docs/release-notes/2022/major/portability.rst
+++ b/docs/release-notes/2022/major/portability.rst
@@ -8,3 +8,39 @@ We now support the Intel clang-based compiler from oneAPI (icx/icpx)
 instead. Please use it, or gcc.
 
 :issue:`3893`
+
+Provisional: Initialize GMX_INSTALL_NBLIB_API and GMXAPI build options from BUILD_SHARED_LIBS
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+
+CMake options ``GMXAPI`` and ``GMX_INSTALL_NBLIB_API`` produce shared object libraries,
+so their default values are now initialized from ``BUILD_SHARED_LIBS``.
+Pending movement on :issue:`3605` and related issues, the coupling between these
+options is subject to change, but users generally should not need to manually set
+``GMXAPI`` and ``GMX_INSTALL_NBLIB_API``.
+
+:issue:`4053`
+
+Updates to pybind11 dependency
+""""""""""""""""""""""""""""""
+
+pybind11 is no longer bundled with |Gromacs|.
+
+The gmxapi 0.3 Python package build system relies on PEP 517/518 build requirements to get pybind11 header
+dependencies through the Python packaging system. Package managers like ``pip`` will download dependencies
+automatically. Package managers that do not automatically fulfill dependencies should still report the missing
+dependency to the user.
+
+The ``sample_restraint`` sample project
+(bundled in ``python_packaging/sample_restraint``)
+still has a primitive CMake-only build procedure.
+If you fork a project from this source, you may choose to modernize the build system (similarly to that of
+``gmxapi``) or to bundle the pybind11 sources.
+Within the GROMACS repository, the ``sample_restraint`` option default is now ``GMXAPI_EXTENSION_DOWNLOAD_PYBIND=ON``.
+
+:issue:`4092`
+
+Bundle muparser
+"""""""""""""""
+
+|Gromacs| now bundles MuParser version 2.3. It is also possible
+to link to an external provided library.