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Finished build doc pages

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Andreas Singraber
2021-05-21 18:18:46 +02:00
parent a0ca2e2681
commit e01502d349
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doc/src/Build_extras.rst
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@ -1477,17 +1477,17 @@ USER-HDNNP package
---------------------------------
To build with the USER-HDNNP package it is required to download and build the
external `n2p2 <https://github.com/CompPhysVienna/n2p2>`__ library ``v2.2.0``
(or higher) before starting the LAMMPS build process. More specifically, only
the *n2p2* core library ``libnnp`` and interface library ``libnnpif`` are
actually needed: when using GCC it should suffice to execute ``make libnnpif``
in the *n2p2* ``src`` directory. For more details please see
``lib/hdnnp/README`` and the `n2p2 build documentation
<https://compphysvienna.github.io/n2p2/topics/build.html>`__. If *n2p2* is
downloaded and compiled in the LAMMPS directory ``lib/hdnnp/n2p2`` no special
flags need to be set besides the usual package activation. If you prefer to
install *n2p2* somewhere else on your system you must specify the path via the
``N2P2_DIR`` variable.
external `n2p2 <https://github.com/CompPhysVienna/n2p2>`__ library ``v2.1.4``
(or higher). The LAMMPS build process offers an automatic download and
compilation of *n2p2* or allows you to choose the installation directory of
*n2p2* manually. Please see the boxes below for the CMake and traditional build
system for detailed information.
In case of a manual installation of *n2p2* you only need to build the *n2p2* core
library ``libnnp`` and interface library ``libnnpif``. When using GCC it should
suffice to execute ``make libnnpif`` in the *n2p2* ``src`` directory. For more
details please see ``lib/hdnnp/README`` and the `n2p2 build documentation
<https://compphysvienna.github.io/n2p2/topics/build.html>`__.
.. tabs::
@ -1498,18 +1498,18 @@ install *n2p2* somewhere else on your system you must specify the path via the
-D DOWNLOAD_N2P2=value # download n2p2 for build, value = no (default) or yes
-D N2P2_DIR=path # n2p2 base directory (only needed if a custom location)
If ``DOWNLOAD_N2P2`` is set, the n2p2 library will be downloaded
and built inside the CMake build directory. If the N2P2 library
is already on your system (in a location CMake cannot find it),
set the ``N2P2_DIR`` to path where n2p2 is located.
If ``DOWNLOAD_N2P2`` is set, the *n2p2* library will be downloaded and
built inside the CMake build directory. If the *n2p2* library is already
on your system (in a location CMake cannot find it), set the ``N2P2_DIR``
to path where *n2p2* is located. If *n2p2* is located directly in
``lib/hdnnp/n2p2`` it will be automatically found by CMake.
.. tab:: Traditional make
You can download and build the *n2p2* library manually if you
prefer; follow the instructions in ``lib/hdnnp/README``\ . You can
also do it in one step from the ``lammps/src`` dir, using a
command like these, which simply invoke the
``lib/hdnnp/Install.py`` script with the specified args:
You can download and build the *n2p2* library manually if you prefer;
follow the instructions in ``lib/hdnnp/README``\ . You can also do it in
one step from the ``lammps/src`` dir, using a command like these, which
simply invoke the ``lib/hdnnp/Install.py`` script with the specified args:
.. code-block:: bash
@ -1521,7 +1521,7 @@ install *n2p2* somewhere else on your system you must specify the path via the
Note that 3 symbolic (soft) links, ``includelink``, ``liblink`` and
``Makefile.lammps``, will be created in ``lib/hdnnp`` to point to
``n2p2/include``, ``n2p2/lib`` and ``n2p2/lib/Makefile.lammps-extra``,
respectively. When LAMMPS is built in src it will use these links.
respectively. When LAMMPS is built in ``src`` it will use these links.
----------