Commit b269955e authored by Christof Schulze's avatar Christof Schulze 😎
Browse files

new LAMMPS with atomistica for F29 

new Eigen build for F29
parent 9af976e1

dealii/90

+2 −2
Original line number Diff line number Diff line 
#%Module

#

# Deal.II 8.5.1

# Deal.II 9.0.0

#

set     version      "8.5.1"

set     version      "9.0.0"



module load mpi/openmpi-x86_64

module load p4est/2.0

eigen/3.3-beta1

deleted100644 → 0
+0 −31
Original line number Diff line number Diff line 
#%Module

#

# Eigen3 

#



set     version         3.3-beta



proc ModulesHelp { } {

	global version

        puts stderr "\tSets up the environment variable for the Eigen3 ($version)\n"

	puts stderr "\t- EIGEN3_BASE           - Eigen3 directory\n"

        puts stderr "\t- EIGEN3_INCDIR         - header directory /include\n"

	puts stderr "\t- EIGEN3_INC            -  -I/${EIGEN3_INCDIR}/\n"



        puts stderr "\n"

}



module-whatis   "sets up the environment variables for the Eigen3 $version"



conflict	eigen



set		pkghome          	/opt/apps/libs/eigen-3.3-beta1



setenv      EIGEN3_BASE		$pkghome

setenv      EIGEN_INCDIR	$pkghome/include/Eigen

setenv      EIGEN_INC		"-I$pkghome/include/Eigen"



unset        pkghome



#source $env(MODULESHOME)/modincludes/info_logging.tcl

eigen/3.3.4

+10 −11
Original line number Diff line number Diff line
@@ -29,4 +29,3 @@ setenv EIGEN_INC "-I$pkghome/include/Eigen" 
unset        pkghome



#source $env(MODULESHOME)/modincludes/info_logging.tcl

lammps/atom-2015-11-20

deleted100644 → 0
+0 −31
Original line number Diff line number Diff line 
#%Module 1.0

#

#  LAMMPS module for use with 'environment-modules' package:

#

set     version      "20151120"



proc ModulesHelp { } {

        global version



        puts stderr "\tAdds 'LAMMPS' to your PATH environment variable"

        puts stderr "\n\tDescription TODO"

        puts stderr "\n\tVersion $version\n"

}



module-whatis   "activates the Plugins for LAMMPS $version including Atomistica (no optimization)"







conflict		lammps



module 			load 		mpi/openmpi-x86_64



set			pkghome		/opt/apps/lammps/atom_20251120



setenv			LAMMPS_BASE	$pkghome

setenv                  LAMMPS_VERSION    $version

prepend-path            PATH            "$pkghome"

prepend-path		LD_LIBRARY_PATH	$pkghome





unset			pkghome
 
 No newline at end of file

lammps/atom-2015-05-15→lammps/atom-2019-06-26

+35 −0
Original line number Diff line number Diff line
@@ -2,17 +2,17 @@ 
#

#  LAMMPS module for use with 'environment-modules' package:

#

set     version      "20150515"

set     version      "20190626"



proc ModulesHelp { } {

        global version



        puts stderr "\tAdds 'LAMMPS' to your PATH environment variable"

        puts stderr "\n\tDescription TODO"

        puts stderr "\n\tDescription  This LAMMPS contains atomistica. It was build for Fedora 29"

        puts stderr "\n\tVersion $version\n"

}



module-whatis   "activates the Plugins for LAMMPS $version including Atomistica (no optimization)"

module-whatis   "activates the Plugins for LAMMPS $version including Atomistica (some optimization)"
@@ -20,10 +20,14 @@ conflict lammps 


module   load   mpi/openmpi-x86_64



set			pkghome		/opt/apps/lammps/atom_20250515

set             pkghome           /opt/apps/lammps/atom_$version



setenv          LAMMPS_BASE       $pkghome

setenv          LAMMPS_VERSION    $version



# Workaround for openmpi 2.0/2.1 bug

setenv          OMPI_MCA_btl_vader_single_copy_mechanism  none



prepend-path    PATH              "$pkghome"

prepend-path    LD_LIBRARY_PATH   $pkghome
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