ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update singularity definition files

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-04-11 21:36:08 -04:00
parent 5542ad31dc
commit fa0cc2c217
6 changed files with 66 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
tools/singularity/README.md
View File

@ -49,8 +49,11 @@ make
| centos7.def | CentOS 7.x with EPEL enabled, no LaTeX |
| centos8.def | CentOS 8.x with EPEL enabled |
| fedora30_mingw.def | Fedora 30 with MinGW cross-compiler toolchain |
| fedora32_mingw.def | Fedora 32 with MinGW cross-compiler toolchain |
| ubuntu16.04.def | Ubuntu 16.04LTS with MPI == OpenMPI, no LaTeX |
| ubuntu18.04.def | Ubuntu 18.04LTS with MPI == OpenMPI |
| ubuntu18.04_amd_rocm.def | Ubuntu 18.04LTS with AMD ROCm toolkit |
| ubuntu18.04_amd_rocm_cuda.def | Ubuntu 18.04LTS with -"- plus Nvidia CUDA 10.2 |
| ubuntu18.04_nvidia.def | Ubuntu 18.04LTS with Nvidia CUDA 10.2 toolkit |
| ubuntu18.04_intel_opencl.def | Ubuntu 18.04LTS with Intel OpenCL runtime |
| ubuntu20.04.def | Ubuntu 20.04LTS with MPI == OpenMPI |

6
tools/singularity/centos7.def
View File

@ -6,13 +6,17 @@ 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 \
make cmake cmake3 ninja-build patch which file git Lmod \
libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel \
python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant
%environment
LC_ALL=C
export LC_ALL
unset LOADEDMODULES
. /etc/profile.d/z00_lmod.sh
module purge
module load mpi
%labels
Author akohlmey

4
tools/singularity/centos8.def
View File

@ -19,6 +19,10 @@ From: centos:8
%environment
LC_ALL=C
export LC_ALL
unset LOADEDMODULES
. /etc/profile.d/modules.sh
module purge
module load mpi
%labels
Author akohlmey

6
tools/singularity/fedora30_mingw.def
View File

@ -36,6 +36,12 @@ From: fedora:30
%environment
LC_ALL=C
export LC_ALL
# we need to reset any module variables
# inherited from the host.
unset LOADEDMODULES
source /etc/profile.d/modules.sh
module purge
module load mpi
%labels
Author akohlmey

47
tools/singularity/fedora32_mingw.def Normal file
View File

@ -0,0 +1,47 @@
BootStrap: docker
From: fedora:32
%post
dnf -y update
dnf -y install vim-enhanced git file make cmake patch which file Lmod \
ninja-build clang libomp-devel libubsan libasan libtsan \
dos2unix findutils rsync python-devel libjpeg-devel libpng-devel \
ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel \
mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
mingw32-filesystem mingw32-pkg-config \
mingw64-filesystem mingw64-pkg-config \
mingw32-crt mingw32-headers mingw32-binutils \
mingw64-crt mingw64-headers mingw64-binutils \
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-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 \
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 \
texlive-framed texlive-wrapfig texlive-upquote texlive-capt-of \
texlive-needspace texlive-titlesec texlive-anysize texlive-dvipng
%environment
LC_ALL=C
export LC_ALL
unset LOADEDMODULES
. /etc/profile.d/modules.sh
module purge
module load mpi
%labels
Author akohlmey

2
tools/singularity/ubuntu20.04.def
View File

@ -29,6 +29,7 @@ From: ubuntu:20.04
libjpeg-dev \
liblapack-dev \
libopenblas-dev \
libomp-dev \
libpng-dev \
libproj-dev \
libvtk6-dev \
@ -45,7 +46,6 @@ From: ubuntu:20.04
ssh \
texlive \
texlive-latex-recommended \
texlive-latex-extra \
texlive-pictures \
texlive-publishers \
texlive-science \