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rbbergerrbberger
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Update Singularity containers
1 parent 4376e64 commit 69c4464

13 files changed

+78
-13
lines changed

‎containers/singularity/centos7.def‎

Lines changed: 17 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -6,9 +6,9 @@ From: centos:7
66
yum -y update
77
yum -y install vim-enhanced \
88
ccache gcc-c++ gcc-gfortran clang gdb valgrind-openmpi \
9-
make cmake cmake3 ninja-build patch which file git Lmod \
9+
make cmake3 ninja-build patch which file git Lmod \
1010
libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel python36-devel \
11-
hdf5-devel python36-virtualenv python36-pip python-pip \
11+
hdf5-devel python36-virtualenv python36-pip python-pip readline-devel \
1212
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
1313
python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant \
1414
blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel zstd libzstd-devel
@@ -48,6 +48,21 @@ From: centos:7
4848
cd ../../
4949
rm -rvf plumed
5050

51+
# create missing readline pkgconfig file
52+
cat > /usr/lib64/pkgconfig/readline.pc <<EOF
53+
prefix=/usr
54+
exec_prefix=/usr
55+
libdir=/usr/lib64
56+
includedir=/usr/include
57+
58+
Name: Readline
59+
Description: GNU Readline library for command line editing
60+
URL: http://tiswww.cwru.edu/php/chet/readline/rltop.html
61+
Version: 6.2
62+
Requires.private: ncurses
63+
Libs: -L\${libdir} -lreadline
64+
Cflags: -I\${includedir}/readline
65+
EOF
5166
# set custom prompt indicating the container name
5267
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
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cat >$CUSTOM_PROMPT_ENV <<EOF

‎containers/singularity/centos8.def‎

Lines changed: 17 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -6,11 +6,11 @@ From: centos:8
66
dnf config-manager --set-enabled PowerTools
77
dnf -y update
88
dnf -y install vim-enhanced git file make cmake patch which file ninja-build \
9-
ccache gcc-c++ gcc-gfortran clang gdb valgrind libubsan libasan libtsan \
9+
ccache gcc-c++ gcc-gfortran clang libomp-devel gdb valgrind libubsan libasan libtsan \
1010
eigen3-devel openblas-devel libpng-devel libjpeg-devel platform-python-devel \
1111
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
1212
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
13-
enchant python3-virtualenv doxygen diffutils \
13+
enchant python3-virtualenv doxygen diffutils latexmk readline-devel \
1414
texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
1515
texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
1616
texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
@@ -54,6 +54,21 @@ From: centos:8
5454
cd ../../
5555
rm -rvf plumed
5656

57+
# create missing readline pkgconfig file
58+
cat > /usr/lib64/pkgconfig/readline.pc <<EOF
59+
prefix=/usr
60+
exec_prefix=/usr
61+
libdir=/usr/lib64
62+
includedir=/usr/include
63+
64+
Name: Readline
65+
Description: GNU Readline library for command line editing
66+
URL: http://tiswww.cwru.edu/php/chet/readline/rltop.html
67+
Version: 7.0
68+
Requires.private: ncurses
69+
Libs: -L\${libdir} -lreadline
70+
Cflags: -I\${includedir}/readline
71+
EOF
5772
# set custom prompt indicating the container name
5873
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
5974
cat >$CUSTOM_PROMPT_ENV <<EOF

‎containers/singularity/fedora32_mingw.def‎

Lines changed: 32 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -9,7 +9,7 @@ From: fedora:32
99
ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
1010
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
1111
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
12-
python3-pyyaml \
12+
readline-devel python3-pyyaml \
1313
mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
1414
mingw32-filesystem mingw32-pkg-config \
1515
mingw64-filesystem mingw64-pkg-config \
@@ -19,18 +19,14 @@ From: fedora:32
1919
mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
2020
mingw32-libgomp mingw64-libgomp \
2121
mingw32-winpthreads mingw64-winpthreads \
22-
mingw32-winpthreads-static mingw64-winpthreads-static \
2322
mingw32-eigen3 mingw64-eigen3 \
23+
mingw32-fftw mingw64-fftw \
2424
mingw32-libjpeg-turbo mingw64-libjpeg-turbo \
25-
mingw32-libjpeg-turbo-static mingw64-libjpeg-turbo-static \
2625
mingw32-libpng mingw64-libpng \
27-
mingw32-libpng-static mingw64-libpng-static \
26+
mingw32-readline mingw64-readline \
27+
mingw32-termcap mingw64-termcap \
2828
mingw32-zlib mingw64-zlib \
29-
mingw32-zlib-static mingw64-zlib-static \
30-
mingw32-expat mingw64-expat \
31-
mingw64-expat-static mingw32-expat-static \
32-
mingw32-sqlite-static mingw64-sqlite-static \
33-
enchant python3-virtualenv doxygen latexmk pdf2svg \
29+
enchant python3-virtualenv doxygen latexmk \
3430
texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
3531
texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
3632
texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
@@ -60,6 +56,33 @@ From: fedora:32
6056
cd ../../
6157
rm -rvf plumed
6258

59+
# create missing termcap pkgconfig files
60+
cat > /usr/i686-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
61+
prefix=/usr/i686-w64-mingw32/sys-root/mingw
62+
exec_prefix=/usr/i686-w64-mingw32/sys-root/mingw
63+
libdir=/usr/i686-w64-mingw32/sys-root/mingw/lib
64+
includedir=/usr/i686-w64-mingw32/sys-root/mingw/include
65+
66+
Name: Termcap
67+
Description: GNU/MinGW terminal feature database
68+
URL: ftp://ftp.gnu.org/gnu/termcap/
69+
Version: 1.3
70+
Libs: -L\${libdir} -ltermcap
71+
Cflags:
72+
EOF
73+
cat > /usr/x86_64-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
74+
prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
75+
exec_prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
76+
libdir=/usr/x86_64-w64-mingw32/sys-root/mingw/lib
77+
includedir=/usr/x86_64-w64-mingw32/sys-root/mingw/include
78+
79+
Name: Termcap
80+
Description: GNU/MinGW terminal feature database
81+
URL: ftp://ftp.gnu.org/gnu/termcap/
82+
Version: 1.3
83+
Libs: -L\${libdir} -ltermcap
84+
Cflags:
85+
EOF
6386
# set custom prompt indicating the container name
6487
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
6588
cat >$CUSTOM_PROMPT_ENV <<EOF

‎containers/singularity/ubuntu18.04.def‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -39,6 +39,7 @@ From: ubuntu:18.04
3939
libnuma-dev \
4040
libpng-dev \
4141
libproj-dev \
42+
libreadline-dev \
4243
libvtk6-dev \
4344
libyaml-dev \
4445
libzstd-dev \

‎containers/singularity/ubuntu18.04_amd_rocm.def‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -57,6 +57,7 @@ From: ubuntu:18.04
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libopenblas-dev \
5858
libnuma-dev \
5959
libpng-dev \
60+
libreadline-dev \
6061
libproj-dev \
6162
libvtk6-dev \
6263
libyaml-dev \

‎containers/singularity/ubuntu18.04_gpu.def‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -61,6 +61,7 @@ From: ubuntu:18.04
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libnuma-dev \
6262
libpng-dev \
6363
libproj-dev \
64+
libreadline-dev \
6465
libvtk6-dev \
6566
libyaml-dev \
6667
libzstd-dev \

‎containers/singularity/ubuntu18.04_intel_opencl.def‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -39,6 +39,7 @@ From: ubuntu:18.04
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libnuma-dev \
4040
libpng-dev \
4141
libproj-dev \
42+
libreadline-dev \
4243
libvtk6-dev \
4344
libyaml-dev \
4445
libzstd-dev \

‎containers/singularity/ubuntu18.04_nvidia.def‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -39,6 +39,7 @@ From: nvidia/cuda:11.0-devel-ubuntu18.04
3939
libnuma-dev \
4040
libpng-dev \
4141
libproj-dev \
42+
libreadline-dev \
4243
libvtk6-dev \
4344
libyaml-dev \
4445
libzstd-dev \

‎containers/singularity/ubuntu20.04.def‎

Lines changed: 3 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -39,6 +39,7 @@ From: ubuntu:20.04
3939
libnuma-dev \
4040
libpng-dev \
4141
libproj-dev \
42+
libreadline-dev \
4243
libvtk6-dev \
4344
libyaml-dev \
4445
libzstd-dev \
@@ -60,6 +61,8 @@ From: ubuntu:20.04
6061
texlive-publishers \
6162
texlive-science \
6263
dvipng \
64+
latexmk \
65+
xindy \
6366
vim-nox \
6467
virtualenv \
6568
voro++-dev \

‎containers/singularity/ubuntu20.04_amd_rocm.def‎

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -58,6 +58,7 @@ From: ubuntu:20.04
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libnuma-dev \
5959
libpng-dev \
6060
libproj-dev \
61+
libreadline-dev \
6162
libvtk6-dev \
6263
libyaml-dev \
6364
libzstd-dev \

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