include readline support to be ready for LAMMPS-Shell

tools/singularity/centos7.def

@@ -6,9 +6,9 @@ From: centos:7
         yum -y update
         yum -y install vim-enhanced \
             ccache gcc-c++ gcc-gfortran clang gdb valgrind-openmpi \
-            make cmake cmake3 ninja-build patch which file git Lmod \
+            make cmake3 ninja-build patch which file git Lmod \
             libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel python36-devel \
-            hdf5-devel python36-virtualenv python36-pip python-pip \
+            hdf5-devel python36-virtualenv python36-pip python-pip readline-devel \
             netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
             python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant \
             blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel zstd libzstd-devel

tools/singularity/centos8.def

@@ -10,7 +10,7 @@ From: centos:8
                eigen3-devel openblas-devel libpng-devel libjpeg-devel platform-python-devel \
                openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
                netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
-               enchant python3-virtualenv doxygen diffutils latexmk \
+               enchant python3-virtualenv doxygen diffutils latexmk readline-devel \
                texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
                texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
                texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \

tools/singularity/fedora32_mingw.def

@@ -9,7 +9,7 @@ From: fedora:32
                ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
                openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
                netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
-               python3-pyyaml \
+               readline-devel python3-pyyaml \
                mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
                mingw32-filesystem mingw32-pkg-config \
                mingw64-filesystem mingw64-pkg-config \
@@ -18,16 +18,13 @@ From: fedora:32
                mingw32-cpp mingw32-gcc mingw32-gcc-gfortran mingw32-gcc-c++ \
                mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
                mingw32-libgomp mingw64-libgomp \
-               mingw32-winpthreads mingw64-winpthreads \
                mingw32-winpthreads-static mingw64-winpthreads-static \
                mingw32-eigen3 mingw64-eigen3 \
-               mingw32-libjpeg-turbo mingw64-libjpeg-turbo \
                mingw32-libjpeg-turbo-static mingw64-libjpeg-turbo-static \
-               mingw32-libpng mingw64-libpng \
                mingw32-libpng-static mingw64-libpng-static \
-               mingw32-zlib mingw64-zlib \
+               mingw32-readline-static mingw64-readline-static \
+               mingw32-termcap-static mingw64-termcap-static \
                mingw32-zlib-static mingw64-zlib-static \
-               mingw32-expat mingw64-expat \
                mingw64-expat-static mingw32-expat-static \
                mingw32-sqlite-static mingw64-sqlite-static \
                enchant python3-virtualenv doxygen latexmk \
@@ -60,6 +57,33 @@ From: fedora:32
         cd ../../
         rm -rvf plumed
 
+        # create missing termcap pkgconfig files
+        cat > /usr/i686-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
+prefix=/usr/i686-w64-mingw32/sys-root/mingw
+exec_prefix=/usr/i686-w64-mingw32/sys-root/mingw
+libdir=/usr/i686-w64-mingw32/sys-root/mingw/lib
+includedir=/usr/i686-w64-mingw32/sys-root/mingw/include
+
+Name: Termcap
+Description: GNU/MinGW terminal feature database
+URL: ftp://ftp.gnu.org/gnu/termcap/
+Version: 1.3
+Libs: -L\${libdir} -ltermcap
+Cflags:
+EOF
+        cat > /usr/x86_64-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
+prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
+exec_prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
+libdir=/usr/x86_64-w64-mingw32/sys-root/mingw/lib
+includedir=/usr/x86_64-w64-mingw32/sys-root/mingw/include
+
+Name: Termcap
+Description: GNU/MinGW terminal feature database
+URL: ftp://ftp.gnu.org/gnu/termcap/
+Version: 1.3
+Libs: -L\${libdir} -ltermcap
+Cflags:
+EOF
         # set custom prompt indicating the container name
         CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
         cat >$CUSTOM_PROMPT_ENV <<EOF

tools/singularity/ubuntu16.04.def

@@ -12,7 +12,7 @@ From: ubuntu:16.04
         ccache gcc g++ gfortran \
         mpi-default-bin mpi-default-dev \
         libfftw3-dev libjpeg-dev libpng12-dev libblas-dev liblapack-dev \
-        python-dev libeigen3-dev libgsl-dev libopenblas-dev \
+        python-dev libeigen3-dev libgsl-dev libopenblas-dev libreadline-dev \
         virtualenv python3-dev python3-pip python3-pkg-resources \
         python3-setuptools python3-virtualenv \
         enchant

tools/singularity/ubuntu18.04.def

@@ -39,6 +39,7 @@ From: ubuntu:18.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu18.04_amd_rocm.def

@@ -57,6 +57,7 @@ From: ubuntu:18.04
         libopenblas-dev \
         libnuma-dev \
         libpng-dev \
+        libreadline-dev \
         libproj-dev \
         libvtk6-dev \
         libyaml-dev \

tools/singularity/ubuntu18.04_gpu.def

@@ -61,6 +61,7 @@ From: ubuntu:18.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu18.04_intel_opencl.def

@@ -39,6 +39,7 @@ From: ubuntu:18.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu18.04_nvidia.def

@@ -39,6 +39,7 @@ From: nvidia/cuda:11.0-devel-ubuntu18.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu20.04.def

@@ -39,6 +39,7 @@ From: ubuntu:20.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu20.04_amd_rocm.def

@@ -58,6 +58,7 @@ From: ubuntu:20.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu20.04_gpu.def

@@ -62,6 +62,7 @@ From: ubuntu:20.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu20.04_intel_opencl.def

@@ -39,6 +39,7 @@ From: ubuntu:20.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \

tools/singularity/ubuntu20.04_nvidia.def

@@ -39,6 +39,7 @@ From: nvidia/cuda:11.0-devel-ubuntu20.04
         libnuma-dev \
         libpng-dev \
         libproj-dev \
+        libreadline-dev \
         libvtk6-dev \
         libyaml-dev \
         libzstd-dev \