Merge pull request lammps#4314 from akohlmey/collected-small-changes

Collected small changes and fixes

cmake/CMakeLists.txt

@@ -515,14 +515,6 @@ if(PKG_ATC OR PKG_AWPMD OR PKG_ML-QUIP OR PKG_ML-POD OR PKG_ELECTRODE OR BUILD_T
   endif()
 endif()
 
-find_package(CURL QUIET COMPONENTS HTTP HTTPS)
-option(WITH_CURL "Enable libcurl support" ${CURL_FOUND})
-if(WITH_CURL)
-  find_package(CURL REQUIRED COMPONENTS HTTP HTTPS)
-  target_compile_definitions(lammps PRIVATE -DLAMMPS_CURL)
-  target_link_libraries(lammps PRIVATE CURL::libcurl)
-endif()
-
 # tweak jpeg library names to avoid linker errors with MinGW cross-compilation
 set(JPEG_NAMES libjpeg libjpeg-62)
 find_package(JPEG QUIET)
@@ -580,7 +572,7 @@ else()
 endif()
 
 foreach(PKG_WITH_INCL KSPACE PYTHON ML-IAP VORONOI COLVARS ML-HDNNP MDI MOLFILE NETCDF
-        PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM COMPRESS ML-PACE LEPTON RHEO)
+        PLUMED QMMM ML-QUIP SCAFACOS MACHDYN VTK KIM COMPRESS ML-PACE LEPTON RHEO EXTRA-COMMAND)
   if(PKG_${PKG_WITH_INCL})
     include(Packages/${PKG_WITH_INCL})
   endif()

cmake/Modules/Packages/EXTRA-COMMAND.cmake

@@ -0,0 +1,10 @@
+# the geturl command needs libcurl
+
+find_package(CURL QUIET COMPONENTS HTTP HTTPS)
+option(WITH_CURL "Enable libcurl support" ${CURL_FOUND})
+if(WITH_CURL)
+  find_package(CURL REQUIRED COMPONENTS HTTP HTTPS)
+  target_compile_definitions(lammps PRIVATE -DLAMMPS_CURL)
+  target_link_libraries(lammps PRIVATE CURL::libcurl)
+endif()
+

cmake/Modules/Packages/PLUMED.cmake

@@ -32,9 +32,9 @@ endif()
 
 # Note: must also adjust check for supported API versions in
 # fix_plumed.cpp when version changes from v2.n.x to v2.n+1.y
-set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.9.1/plumed-src-2.9.1.tgz"
+set(PLUMED_URL "https://github.com/plumed/plumed2/releases/download/v2.9.2/plumed-src-2.9.2.tgz"
   CACHE STRING "URL for PLUMED tarball")
-set(PLUMED_MD5 "c3b2d31479c1e9ce211719d40e9efbd7" CACHE STRING "MD5 checksum of PLUMED tarball")
+set(PLUMED_MD5 "04862602a372c1013bdfee2d6d03bace" CACHE STRING "MD5 checksum of PLUMED tarball")
 
 mark_as_advanced(PLUMED_URL)
 mark_as_advanced(PLUMED_MD5)

doc/msi2lmp.1

@@ -1,4 +1,4 @@
-.TH MSI2LMP "1" "v3.9.10" "2023-03-10"
+.TH MSI2LMP "1" "v3.9.11" "2024-09-06"
 .SH NAME
 .B MSI2LMP
 \- Converter for Materials Studio files to LAMMPS
@@ -101,7 +101,7 @@ msi2lmp decane -c 0 -f oplsaa
 
 
 .SH COPYRIGHT
-© 2003--2022 Sandia Corporation
+© 2003--2024 Sandia Corporation
 
 This package is free software; you can redistribute it and/or modify
 it under the terms of the GNU General Public License version 2 as

doc/src/Build_extras.rst

@@ -7,6 +7,8 @@ in addition to
 .. list-table::
    :align: center
    :header-rows: 1
+   :widths: 50 50
+   :width: 80%
 
    * - CMake build
      - Traditional make
@@ -115,7 +117,7 @@ GPU package
 
 To build with this package, you must choose options for precision and
 which GPU hardware to build for. The GPU package currently supports
-three different types of backends: OpenCL, CUDA and HIP.
+three different types of back ends: OpenCL, CUDA and HIP.
 
 CMake build
 ^^^^^^^^^^^
@@ -205,7 +207,7 @@ necessary for ``hipcc`` and the linker to work correctly.
 .. versionadded:: 3Aug2022
 
 Using the CHIP-SPV implementation of HIP is supported. It allows one to
-run HIP code on Intel GPUs via the OpenCL or Level Zero backends. To use
+run HIP code on Intel GPUs via the OpenCL or Level Zero back ends. To use
 CHIP-SPV, you must set ``-DHIP_USE_DEVICE_SORT=OFF`` in your CMake
 command line as CHIP-SPV does not yet support hipCUB. As of Summer 2022,
 the use of HIP for Intel GPUs is experimental. You should only use this

doc/src/Developer_write.rst

@@ -12,3 +12,4 @@ details are provided for writing code for LAMMPS.
 
    Developer_write_pair
    Developer_write_fix
+   Developer_write_command