Merge branch 'master' into kim-v2-update (6c0b100a) · Commits · 郑智淋 / lammps

.github/CODEOWNERS

+4 −0

+1 −0

+10 −6

Original line number	Diff line number	Diff line
		@@ -195,6 +195,7 @@ cmake -C ../cmake/presets/std_nolib.cmake -D PKG_GPU=on ../cmake
		<td><code>CMAKE_INSTALL_PREFIX</code></td>
		<td>Install location where LAMMPS files will be copied to. In the Unix/Linux case with Makefiles this controls what `make install` will do.</td>
		<td>
		Default setting is <code>$HOME/.local</code>.
		</td>
		</tr>
		<tr>
		@@ -1492,6 +1493,11 @@ target API.
		</dl>
		</td>
		</tr>
		<tr>
		<td><code>BIN2C</code> (CUDA only)</td>
		<td>Path to bin2c executable, will automatically pick up the first one in your $PATH.</td>
		<td>(automatic)</td>
		</tr>
		</tbody>
		</table>

		@@ -1647,9 +1653,8 @@ requires `gzip` to be in your `PATH`
		</tr>
		<tr>
		<td><code>GZIP_EXECUTABLE</code></td>
		<td></td>
		<td>
		</td>
		<td>Path to gzip executable, will automatically pick up the first one in your $PATH.</td>
		<td>(automatic)</td>
		</tr>
		</tbody>
		</table>
		@@ -1679,9 +1684,8 @@ requires `ffmpeg` to be in your `PATH`
		</tr>
		<tr>
		<td><code>FFMPEG_EXECUTABLE</code></td>
		<td></td>
		<td>
		</td>
		<td>Path to ffmpeg executable, will automatically pick up the first one in your $PATH.</td>
		<td>(automatic)</td>
		</tr>
		</tbody>
		</table>

+22 −2

Original line number	Diff line number	Diff line
		# pkg-config file for lammps
		# https://people.freedesktop.org/~dbn/pkg-config-guide.html
		# Usage: cc `pkg-config --cflags --libs liblammps` -o myapp myapp.c
		# after you added @CMAKE_INSTALL_FULL_LIBDIR@/pkg-config to PKG_CONFIG_PATH,

		# Add the directory where lammps.pc got installed to your PKG_CONFIG_PATH
		# e.g. export PKG_CONFIG_PATH=@CMAKE_INSTALL_FULL_LIBDIR@/pkgconfig

		# Use this on commandline with:
		# c++ `pkg-config --cflags --libs lammps` -o myapp myapp.cpp

		# Use this in a Makefile:
		# myapp: myapp.cpp
		# $(CC) `pkg-config --cflags --libs lammps` -o $@ $<

		# Use this in autotools:
		# configure.ac:
		# PKG_CHECK_MODULES([LAMMPS], [lammps])
		# Makefile.am:
		# myapp_CFLAGS = $(LAMMPS_CFLAGS)
		# myapp_LDADD = $(LAMMPS_LIBS)

		# Use this in CMake:
		# CMakeLists.txt:
		# find_package(PkgConfig)
		# pkg_check_modules(LAMMPS IMPORTED_TARGET lammps)
		# target_link_libraries(<lib> PkgConfig::LAMMPS)

		prefix=@CMAKE_INSTALL_PREFIX@
		libdir=@CMAKE_INSTALL_FULL_LIBDIR@
		includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@

+2 −2

Original line number	Diff line number	Diff line
		@@ -8,12 +8,12 @@ set(USER_PACKAGES USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVA
		USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESO
		USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
		USER-NETCDF USER-OMP USER-PHONON USER-QMMM USER-QTB
		USER-QUIP USER-REAXC USER-SMD USER-SMTBQ USER-SPH USER-TALLY
		USER-QUIP USER-REAXC USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY
		USER-UEF USER-VTK)

		set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MEAM MPIIO MSCG POEMS PYTHON REAX VORONOI
		USER-ATC USER-AWPMD USER-COLVARS USER-H5MD USER-LB USER-MOLFILE
		USER-NETCDF USER-QMMM USER-QUIP USER-SMD USER-VTK)
		USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP USER-SMD USER-VTK)

		set(ALL_PACKAGES ${STANDARD_PACKAGES} ${USER_PACKAGES})