[+] added module for lammps (8054c487) · Commits · ww8it / module-environment

eigen/3.2.8-mkl

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		#%Module
		#
		# Eigen3
		#

		set version 3.2.8

		proc ModulesHelp { } {
		global version
		puts stderr "\tSets up the environment variable for the Eigen3 ($version) with Intel MKL\n"
		puts stderr "\t- EIGEN3_BASE - Eigen3 directory\n"
		puts stderr "\t- EIGEN3_INCDIR - header directory /include\n"
		puts stderr "\t- EIGEN3_INC - -I/${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-$version-mkl

		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

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		#%Module 1.0
		#
		# LAMMPS module for use with 'environment-modules' package:
		#
		set version "20151020"

		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
		prereq mpi/openmpi-x86_64

		set pkghome /opt/apps/lammps

		#setenv YADE_INC "-I/$pkghome/include/"
		setenv LAMMPS_BASE $pkghome
		#setenv YADE_LIB $pkghome/lib64/yade
		setenv LAMMPS_VERSION $version
		prepend-path PATH "$pkghome"
		#prepend-path LD_LIBRARY_PATH $pkghome/lib64/yade


		unset pkghome
		No newline at end of file

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		@@ -12,13 +12,13 @@ setenv MPI_SYSCONFIG /etc/mpich-x86_64
		setenv MPI_FORTRAN_MOD_DIR /usr/include/mpich-x86_64
		setenv MPI_INCLUDE /usr/include/mpich-x86_64
		setenv MPI_LIB /usr/lib64/mpich/lib
		setenv MPI_MAN /usr/share/man/mpich
		setenv MPI_MAN /usr/share/man/mpich-x86_64
		setenv MPI_PYTHON_SITEARCH /usr/lib64/python2.7/site-packages/mpich
		setenv MPI_COMPILER mpich-x86_64
		setenv MPI_SUFFIX _mpich
		setenv MPI_HOME /usr/lib64/mpich
		prepend-path PATH /usr/lib64/mpich/bin
		prepend-path LD_LIBRARY_PATH /usr/lib64/mpich/lib
		prepend-path MANPATH /usr/share/man/mpich
		prepend-path MANPATH /usr/share/man/mpich-x86_64
		prepend-path PKG_CONFIG_PATH /usr/lib64/mpich/lib/pkgconfig
		prepend-path PYTHONPATH /usr/lib64/python2.7/site-packages/mpich

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		@@ -20,7 +20,7 @@ proc ModulesHelp { } {
		module-whatis "PETSc - Portable, Extensible Toolkit for Scientific Computation petsc-$version (System gcc-5.1, System python-2.7)"

		conflict petsc
		#prereq mpi/openmpi-x86_64
		prereq mpi/openmpi-x86_64

		set pkghome /opt/apps/petsc/3.6.3-fortran

+12 −12

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