doc integration of gerurl

This commit is contained in:
Axel Kohlmeyer
2024-08-07 09:37:49 -04:00
parent 3fa48dfa34
commit dcb3871e58
4 changed files with 65 additions and 8 deletions

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@ -8,7 +8,8 @@ explains how to do this for building both with CMake and make.
* `FFT library`_ for use with the :doc:`kspace_style pppm <kspace_style>` command * `FFT library`_ for use with the :doc:`kspace_style pppm <kspace_style>` command
* `Size of LAMMPS integer types and size limits`_ * `Size of LAMMPS integer types and size limits`_
* `Read or write compressed files`_ * `Read or write compressed files`_
* `Output of JPG, PNG, and move files` via the :doc:`dump image <dump_image>` or :doc:`dump movie <dump_image>` commands * `Output of JPEG, PNG, and movie files`_ via the :doc:`dump image <dump_image>` or :doc:`dump movie <dump_image>` commands
* `Support for downloading files`_
* `Memory allocation alignment`_ * `Memory allocation alignment`_
* `Workaround for long long integers`_ * `Workaround for long long integers`_
* `Exception handling when using LAMMPS as a library`_ to capture errors * `Exception handling when using LAMMPS as a library`_ to capture errors
@ -19,7 +20,7 @@ explains how to do this for building both with CMake and make.
.. _cxx11: .. _cxx11:
C++11 standard compliance C++11 standard compliance
------------------------------------------ -------------------------
A C++11 standard compatible compiler is a requirement for compiling LAMMPS. A C++11 standard compatible compiler is a requirement for compiling LAMMPS.
LAMMPS version 3 March 2020 is the last version compatible with the previous LAMMPS version 3 March 2020 is the last version compatible with the previous
@ -31,12 +32,16 @@ flags to enable C++11 compliance. Example for GNU c++ 4.8.x:
CCFLAGS = -g -O3 -std=c++11 CCFLAGS = -g -O3 -std=c++11
Individual packages may require compliance with a later C++ standard
like C++14 or C++17. These requirements will be documented with the
:doc:`individual packages <Packages_details>`.
---------- ----------
.. _fft: .. _fft:
FFT library FFT library
--------------------- -----------
When the KSPACE package is included in a LAMMPS build, the When the KSPACE package is included in a LAMMPS build, the
:doc:`kspace_style pppm <kspace_style>` command performs 3d FFTs which :doc:`kspace_style pppm <kspace_style>` command performs 3d FFTs which
@ -341,8 +346,8 @@ in whichever ``lib/gpu/Makefile`` is used must be the same as above.
.. _graphics: .. _graphics:
Output of JPG, PNG, and movie files Output of JPEG, PNG, and movie files
-------------------------------------------------- ------------------------------------
The :doc:`dump image <dump_image>` command has options to output JPEG or The :doc:`dump image <dump_image>` command has options to output JPEG or
PNG image files. Likewise, the :doc:`dump movie <dump_image>` command PNG image files. Likewise, the :doc:`dump movie <dump_image>` command
@ -356,9 +361,9 @@ requires the following settings:
.. code-block:: bash .. code-block:: bash
-D WITH_JPEG=value # yes or no -D WITH_JPEG=value # yes or no
# default = yes if CMake finds JPEG files, else no # default = yes if CMake finds JPEG development files, else no
-D WITH_PNG=value # yes or no -D WITH_PNG=value # yes or no
# default = yes if CMake finds PNG and ZLIB files, else no # default = yes if CMake finds PNG and ZLIB development files, else no
-D WITH_FFMPEG=value # yes or no -D WITH_FFMPEG=value # yes or no
# default = yes if CMake can find ffmpeg, else no # default = yes if CMake can find ffmpeg, else no
@ -446,12 +451,56 @@ during a run.
available using a compression library instead, which is what the available using a compression library instead, which is what the
:ref:`COMPRESS package <PKG-COMPRESS>` enables. :ref:`COMPRESS package <PKG-COMPRESS>` enables.
--------------------------------------------------
.. _libcurl:
Support for downloading files
-----------------------------
The :doc:`geturl command <geturl>` command uses the `the libcurl library
<https://curl.se/libcurl/>`_ to download files. This requires that
LAMMPS is compiled accordingly which needs the following settings:
.. tabs::
.. tab:: CMake build
.. code-block:: bash
-D WITH_CURL=value # yes or no
# default = yes if CMake finds CURL development files, else no
Usually these settings are all that is needed. If CMake cannot
find the graphics header, library, executable files, you can set
these variables:
.. code-block:: bash
-D CURL_INCLUDE_DIR=path # path to folder which contains curl.h header file
-D CURL_LIBRARY=path # path to libcurls.a (.so) file
.. tab:: Traditional make
.. code-block:: make
LMP_INC = -DLAMMPS_CURL <other LMP_INC settings>
CURL_INC = -I/usr/local/include # path to curl folder with curl.h
CURL_PATH = -L/usr/lib # paths to libcurl.a(.so) if make cannot find it
CURL_LIB = -lcurl # library names
As with CMake, you do not need to set ``CURL_INC`` or ``CURL_PATH``,
if make can find the libcurl header and library files in their
default system locations. You must specify ``CURL_LIB`` with a
paths or linker flags to link to libcurl.
---------- ----------
.. _align: .. _align:
Memory allocation alignment Memory allocation alignment
--------------------------------------- ---------------------------
This setting enables the use of the "posix_memalign()" call instead of This setting enables the use of the "posix_memalign()" call instead of
"malloc()" when LAMMPS allocates large chunks of memory. Vector "malloc()" when LAMMPS allocates large chunks of memory. Vector

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@ -54,6 +54,7 @@ table above.
* :doc:`echo <echo>` * :doc:`echo <echo>`
* :doc:`fix <fix>` * :doc:`fix <fix>`
* :doc:`fix_modify <fix_modify>` * :doc:`fix_modify <fix_modify>`
* :doc:`geturl <geturl>`
* :doc:`group <group>` * :doc:`group <group>`
* :doc:`if <if>` * :doc:`if <if>`
* :doc:`improper_coeff <improper_coeff>` * :doc:`improper_coeff <improper_coeff>`

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@ -45,6 +45,7 @@ Commands
fix fix
fix_modify fix_modify
fitpod_command fitpod_command
geturl
group group
group2ndx group2ndx
hyper hyper

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@ -1298,6 +1298,7 @@ Gershgorin
getrusage getrusage
getter getter
gettimeofday gettimeofday
geturl
gewald gewald
Gezelter Gezelter
Gflop Gflop
@ -1492,6 +1493,8 @@ hplanck
Hs Hs
hstyle hstyle
html html
http
https
hTST hTST
https https
hu hu
@ -3349,6 +3352,7 @@ Schunk
Schuring Schuring
Schwen Schwen
Sci Sci
scp
screenshot screenshot
screenshots screenshots
Scripps Scripps
@ -3389,6 +3393,7 @@ setvel
sevenbody sevenbody
sfftw sfftw
sfree sfree
sftp
Sg Sg
sgcmc sgcmc
Shan Shan
@ -3903,6 +3908,7 @@ upenn
upto upto
Urbakh Urbakh
Urbana Urbana
url
UreyBradley UreyBradley
Usabiaga Usabiaga
usec usec