Merge pull request #2854 from akohlmey/final-fixes-for-patch-release

Final fixes for the patch release

cmake/CMakeLists.txt

@@ -312,6 +312,7 @@ pkg_depends(LATBOLTZ MPI)
 pkg_depends(PHONON KSPACE)
 pkg_depends(SCAFACOS MPI)
 pkg_depends(DIELECTRIC KSPACE)
+pkg_depends(DIELECTRIC EXTRA-PAIR)
 pkg_depends(CG-DNA MOLECULE)
 pkg_depends(CG-DNA ASPHERE)
 

doc/src/Packages_details.rst

@@ -189,6 +189,7 @@ atomic information to continuum fields.
 **Install:**
 
 This package has :ref:`specific installation instructions <atc>` on the :doc:`Build extras <Build_extras>` page.
+The ATC package requires that also the `MANYBODY <PKG-MANYBODY>`_ package is installed.
 
 **Supporting info:**
 
@@ -518,6 +519,11 @@ compute for simulating systems using boundary element solvers for
 computing the induced charges at the interface between two media with
 different dielectric constants.
 
+**Install:**
+
+To use this package, also the :ref:`KSPACE <PKG-KSPACE>` and
+:ref:`EXTRA-PAIR <PKG-EXTRA-PAIR>` packages need to be installed.
+
 **Author:** Trung Nguyen and Monica Olvera de la Cruz (Northwestern U)
 
 **Supporting info:**
@@ -1210,6 +1216,10 @@ can be used to model MD particles influenced by hydrodynamic forces.
 **Authors:** Frances Mackay and Colin Denniston (University of Western
 Ontario).
 
+**Install:**
+
+The LATBOLTZ package requires that LAMMPS is build in :ref:`MPI parallel mode <serial>`.
+
 **Supporting info:**
 
 * src/LATBOLTZ: filenames -> commands
@@ -1603,9 +1613,9 @@ A general interface for machine-learning interatomic potentials, including PyTor
 
 **Install:**
 
-To use this package, also the :ref:`ML-SNAP package <PKG-ML-SNAP>` package needs
+To use this package, also the :ref:`ML-SNAP <PKG-ML-SNAP>` package needs
 to be installed.  To make the *mliappy* model available, also the
-:ref:`PYTHON package <PKG-PYTHON>` package needs to be installed, the version
+:ref:`PYTHON <PKG-PYTHON>` package needs to be installed, the version
 of Python must be 3.6 or later, and the `cython <https://cython.org/>`_ software
 must be installed.
 
@@ -1870,6 +1880,10 @@ MPIIO library.  It adds :doc:`dump styles <dump>` with a "mpiio" in
 their style name.  Restart files with an ".mpiio" suffix are also
 written and read in parallel.
 
+**Install:**
+
+The MPIIO package requires that LAMMPS is build in :ref:`MPI parallel mode <serial>`.
+
 **Supporting info:**
 
 * src/MPIIO: filenames -> commands
@@ -2103,6 +2117,12 @@ And a :doc:`dynamical_matrix <dynamical_matrix>` as well as a
 :doc:`third_order <third_order>` command to compute the dynamical matrix
 and third order tensor from finite differences.
 
+**Install:**
+
+The PHONON package requires that also the `KSPACE <PKG-KSPACE>`_
+package is installed.
+
+
 **Authors:** Ling-Ti Kong (Shanghai Jiao Tong University) for "fix phonon"
 and Charlie Sievers (UC Davis) for "dynamical_matrix" and "third_order"
 
@@ -2486,6 +2506,7 @@ the Forschungszentrum Juelich.
 **Install:**
 
 This package has :ref:`specific installation instructions <scafacos>` on the :doc:`Build extras <Build_extras>` page.
+The SCAFACOS package requires that LAMMPS is build in :ref:`MPI parallel mode <serial>`.
 
 **Supporting info:**
 

doc/src/fix_nve_noforce.rst

@@ -49,8 +49,7 @@ the :doc:`run <run>` command.  This fix is not invoked during :doc:`energy minim
 Restrictions
 """"""""""""
 
-This fix is part of the EXTRA-FIX package.  It is only enabled if LAMMPS
-was built with that package.  See the :doc:`Build package <Build_package>` page for more info.
+none
 
 Related commands
 """"""""""""""""

src/DIELECTRIC/Install.sh

@@ -34,6 +34,10 @@ if (test $1 = 1) then
     echo "Must install KSPACE package with DIELECTRIC package"
     exit 1
   fi
+  if (test ! -e ../pair_lj_cut_coul_debye.cpp) then
+    echo "Must install EXTRA-PAIR package with DIELECTRIC package"
+    exit 1
+  fi
 fi
 
 for file in *.cpp *.h; do

src/KOKKOS/Install.sh

@@ -251,20 +251,20 @@ action pair_lj_class2_kokkos.cpp pair_lj_class2.cpp
 action pair_lj_class2_kokkos.h pair_lj_class2.h
 action pair_lj_cut_coul_cut_kokkos.cpp
 action pair_lj_cut_coul_cut_kokkos.h
-action pair_lj_cut_coul_debye_kokkos.cpp
-action pair_lj_cut_coul_debye_kokkos.h
-action pair_lj_cut_coul_dsf_kokkos.cpp
-action pair_lj_cut_coul_dsf_kokkos.h
+action pair_lj_cut_coul_debye_kokkos.cpp pair_lj_cut_coul_debye.cpp
+action pair_lj_cut_coul_debye_kokkos.h pair_lj_cut_coul_debye.h
+action pair_lj_cut_coul_dsf_kokkos.cpp pair_lj_cut_coul_dsf.cpp
+action pair_lj_cut_coul_dsf_kokkos.h pair_lj_cut_coul_dsf.h
 action pair_lj_cut_coul_long_kokkos.cpp pair_lj_cut_coul_long.cpp
 action pair_lj_cut_coul_long_kokkos.h pair_lj_cut_coul_long.h
 action pair_lj_cut_kokkos.cpp
 action pair_lj_cut_kokkos.h
 action pair_lj_expand_kokkos.cpp
 action pair_lj_expand_kokkos.h
-action pair_lj_gromacs_coul_gromacs_kokkos.cpp
-action pair_lj_gromacs_coul_gromacs_kokkos.h
-action pair_lj_gromacs_kokkos.cpp
-action pair_lj_gromacs_kokkos.h
+action pair_lj_gromacs_coul_gromacs_kokkos.cpp pair_lj_gromacs_coul_gromacs.cpp
+action pair_lj_gromacs_coul_gromacs_kokkos.h pair_lj_gromacs_coul_gromacs.h
+action pair_lj_gromacs_kokkos.cpp pair_lj_gromacs.cpp
+action pair_lj_gromacs_kokkos.h pair_lj_gromacs.h
 action pair_lj_sdk_kokkos.cpp pair_lj_sdk.cpp
 action pair_lj_sdk_kokkos.h pair_lj_sdk.h
 action pair_morse_kokkos.cpp