Files
lammps/tools/singularity/centos7.def
2020-04-29 22:36:33 -04:00

41 lines
1.3 KiB
Modula-2

BootStrap: library
From: centos:7
%post
yum -y install epel-release
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 \
libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel python36-devel \
hdf5-devel python36-virtualenv python36-pip python-pip \
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant
yum clean all
%environment
LC_ALL=C
export LC_ALL
# we need to reset any module variables
# inherited from the host.
unset __LMOD_REF_COUNT__LMFILES_
unset __LMOD_REF_COUNT_PATH
unset __LMOD_REF_COUNT_LD_LIBRARY_PATH
unset __LMOD_REF_COUNT_MANPATH
unset __LMOD_REF_COUNT_MODULEPATH
unset __LMOD_REF_COUNT_LOADEDMODULES
unset _LMFILES_
unset MODULEPATH
unset MODULESHOME
unset MODULEPATH_ROOT
unset LOADEDMODULES
unset LMOD_SYSTEM_DEFAULT_MODULES
# load MPI by default
. /etc/profile
module load mpi
%labels
Author akohlmey, rbberger