a few more tweaks needed for centos8 and fedora32 (01662925) · Commits · 郑智淋 / lammps

tools/singularity/centos8.def

+1 −1

Original line number	Diff line number	Diff line
		@@ -49,7 +49,7 @@ From: centos:8
		make
		make install
		# fix up installation for CentOS and Fedora
		mv -v /usr/lib/pkgconfig/plumed* /usr/share/pkgconfig/
		mv -v /usr/lib64/pkgconfig/plumed* /usr/share/pkgconfig/
		cd ../../
		rm -rvf plumed

+4 −18

Original line number	Diff line number	Diff line
		@@ -38,23 +38,9 @@ From: fedora:32
		blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel
		dnf clean 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
		# enable Lmod and load MPI
		source /usr/share/lmod/lmod/init/profile
		module purge
		module load mpi

		# manually install Plumed
		@@ -68,7 +54,7 @@ From: fedora:32
		make
		make install
		# fix up installation for CentOS and Fedora
		mv -v /usr/lib/pkgconfig/plumed* /usr/share/pkgconfig/
		mv -v /usr/lib64/pkgconfig/plumed* /usr/share/pkgconfig/
		cd ../../
		rm -rvf plumed