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document GSL dependency and provide build instructions for RHEO package

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This commit is contained in:
Axel Kohlmeyer
2024-07-03 19:07:19 -04:00
parent 96d58bb03e
commit b6d11b5902
5 changed files with 62 additions and 23 deletions
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2
cmake/Modules/Packages/RHEO.cmake
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@ -1,2 +1,2 @@
find_package(GSL REQUIRED)
find_package(GSL 2.7 REQUIRED)
target_link_libraries(lammps PRIVATE GSL::gsl)

40
doc/src/Build_extras.rst
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@ -59,6 +59,7 @@ This is the list of packages that may require additional steps.
* :ref:`POEMS <poems>`
* :ref:`PYTHON <python>`
* :ref:`QMMM <qmmm>`
* :ref:`RHEO <rheo>`
* :ref:`SCAFACOS <scafacos>`
* :ref:`VORONOI <voronoi>`
* :ref:`VTK <vtk>`
@ -1566,10 +1567,11 @@ LAMMPS build.
.. tab:: CMake build
When the ``-D PKG_PLUMED=yes`` flag is included in the cmake
command you must ensure that GSL is installed in locations that
are specified in your environment. There are then two additional
variables that control the manner in which PLUMED is obtained and
linked into LAMMPS.
command you must ensure that `the GNU Scientific Library (GSL)
<https://www.gnu.org/software/gsl/>` is installed in locations
that are accessible in your environment. There are then two
additional variables that control the manner in which PLUMED is
obtained and linked into LAMMPS.
.. code-block:: bash
@ -2040,6 +2042,36 @@ verified to work in February 2020 with Quantum Espresso versions 6.3 to
----------
.. _rheo:
RHEO package
------------
To build with this package you must have the `GNU Scientific Library
(GSL) <https://www.gnu.org/software/gsl/>` installed in locations that
are accessible in your environment. The GSL library should be at least
version 2.7.
.. tabs::
.. tab:: CMake build
If CMake cannot find the GSL library or include files, you can set:
.. code-block:: bash
-D GSL_ROOT_DIR=path # path to root of GSL installation
.. tab:: Traditional make
LAMMPS will try to auto-detect the GSL compiler and linker flags
from the corresponding ``pkg-config`` file (``gsl.pc``), otherwise
you can edit the file ``lib/rheo/Makefile.lammps``
to specify the paths and library names where indicated by comments.
This must be done **before** the package is installed.
----------
.. _scafacos:
SCAFACOS package

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doc/src/Packages_details.rst
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@ -8,12 +8,12 @@ info on how to download or build any extra library it requires. It also
gives links to documentation, example scripts, and pictures/movies (if
available) that illustrate use of the package.
The majority of packages can be included in a LAMMPS build with a
single setting (``-D PKG_<NAME>=on`` for CMake) or command
(``make yes-<name>`` for make). See the :doc:`Build package <Build_package>`
page for more info. A few packages may require additional steps;
this is indicated in the descriptions below. The :doc:`Build extras <Build_extras>`
page gives those details.
The majority of packages can be included in a LAMMPS build with a single
setting (``-D PKG_<NAME>=on`` for CMake) or command (``make yes-<name>``
for make). See the :doc:`Build package <Build_package>` page for more
info. A few packages may require additional steps; this is indicated in
the descriptions below. The :doc:`Build extras <Build_extras>` page
gives those details.
.. note::
@ -2630,8 +2630,12 @@ RHEO package
**Contents:**
Pair styles, bond styles, fixes, and computes for reproducing
hydrodynamics and elastic objects. See the
:doc:`Howto rheo <Howto_rheo>` page for an overview.
hydrodynamics and elastic objects. See the :doc:`Howto rheo
<Howto_rheo>` page for an overview.
**Install:**
This package has :ref:`specific installation instructions <rheo>` on the :doc:`Build extras <Build_extras>` page.
**Authors:** Joel T. Clemmer (Sandia National Labs),
Thomas C. O'Connor (Carnegie Mellon University)

8
lib/rheo/README
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@ -1,5 +1,7 @@
This directory has a Makefile.lammps file with settings that allows
LAMMPS to dynamically link to the GSL library. This is
required to use the RHEO package in a LAMMPS input script.
This directory has a Makefile.lammps file with settings that allows LAMMPS to
dynamically link to the GSL library. This is required to use the RHEO package
in a LAMMPS input script. If you have the pkg-config command available, it
will automatically import the GSL settings. Otherwise they will have to be
added manually.
See the header of Makefile.lammps for more info.

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src/RHEO/README
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@ -1,9 +1,10 @@
RHEO or Reproducing Hydrodynamics and Elastic Objects is a package to model multiphase fluid
systems. The authors include Joel Clemmer (Sandia), Thomas O'Connor (Carnegie Mellon), and
Eric Palermo (Carnegie Mellon).
RHEO or Reproducing Hydrodynamics and Elastic Objects is a package to model
multiphase fluid systems. The authors include Joel Clemmer (Sandia), Thomas
O'Connor (Carnegie Mellon), and Eric Palermo (Carnegie Mellon).
Bond style rheo/shell, compute style rheo/property/atom, and fix style rheo/temperature all depend on the BPM package.
Bond style rheo/shell, compute style rheo/property/atom, and fix style
rheo/temperature all depend on the BPM package.
This package requires the GNU scientific library (GSL). We recommend version 2.7 or later. To
build this package, one must first separately install GSL in a location that can be found by
your environment.
This package requires the GNU scientific library (GSL). We recommend version
2.7 or later. To build this package, one must first separately install GSL in
a location that can be found by your environment.