elpa: new build-block added

MPI/elpa/build

@@ -0,0 +1,72 @@
+#!/usr/bin/env modbuild
+
+pbuild::set_download_url "http://elpa.mpcdf.mpg.de/html/Releases/${V_PKG}/$P-${V_PKG}.tar.gz"
+pbuild::add_to_group 'MPI'
+pbuild::use_autotools
+pbuild::install_docfiles 'COPYING/COPYING'
+pbuild::install_docfiles 'COPYING/gpl.txt'
+pbuild::install_docfiles 'COPYING/lgpl.txt'
+
+pbuild::supported_os Linux
+pbuild::supported_compilers Intel
+
+pbuild::pre_configure() {
+        local -r MKL_LIBRARY_DIR=${MKLROOT}/lib/intel64
+        local -r MKL_INCLUDE_DIR=${MKLROOT}/include
+
+	local -a flags=()
+	if pbuild::use_flag "omp"; then
+		flags+=('-qopenmp')
+		pbuild::add_configure_args "--enable-openmp"
+	else
+		flags+=('-qno-openmp')
+	fi
+	flags+=('-O2' '-fPIC' '-g')
+	flags+=('-fp-model precise' '-funroll-loops')
+	flags+=('-traceback' '-xHost')
+
+	local -a cflags=()
+	cflags+=("${flags[@]}")
+	cflags+=('-I${MKL_INCLUDE_DIR}')
+
+	local -a fcflags=()
+	fcflags+=("${flags[@]}")
+	fcflags+=( '-fpp' '-free')
+	fcflags+=("-I${MKL_INCLUDE_DIR}/intel64/lp64")
+
+	local -a ldflags=()
+	ldflags+=("-L${MKL_LIBRARY_DIR}")
+	ldflags+=('-lmkl_scalapack_lp64' '-lmkl_intel_lp64' '-lmkl_sequential')
+	ldflags+=('-lmkl_core' '-lmkl_blacs_intelmpi_lp64' '-lpthread')
+
+	local -a scalapack_fcflags=()
+	scalapack_fcflags+=( "${ldflags[@]}" )
+        scalapack_fcflags+=("-I${MKL_INCLUDE_DIR}/intel64/lp64")
+
+	local -a scalapack_ldflags=()
+	scalapack_ldflags+=( "${ldflags[@]}" )
+        scalapack_ldflags+=("-Wl,-rpath,${MKL_LIBRARY_DIR}")
+
+	pbuild::add_configure_args "CC=${MPICC}"
+	pbuild::add_configure_args "CXX=${MPICXX}"
+	pbuild::add_configure_args "FC=${MPIFC}"
+	pbuild::add_configure_args "CFLAGS=${cflags[*]}"
+	pbuild::add_configure_args "CXXFLAGS=${cflags[*]}"
+	pbuild::add_configure_args "FCFLAGS=${fcflags[*]}"
+	pbuild::add_configure_args "LDFLAGS=${ldflags[*]}"
+	pbuild::add_configure_args "SCALAPACK_FCFLAGS=${scalapack_fcflags[*]}"
+	pbuild::add_configure_args "SCALAPACK_LDLAGS=${scalapack_ldflags[*]}"
+        pbuild::add_configure_args "--disable-shared"
+	pbuild::add_configure_args "--enable-static"
+	pbuild::add_configure_args "--enable-avx512"
+}
+
+pbuild::post_install() {
+	if pbuild::use_flag "omp"; then
+		ln -fs "elpa_openmp-${V_PKG}/elpa" "${PREFIX}/include/elpa"
+		ln -fs "elpa_openmp-${V_PKG}/modules" "${PREFIX}/include/modules"
+	else
+		ln -fs "elpa-${V_PKG}/elpa" "${PREFIX}/include/elpa"
+		ln -fs "elpa-${V_PKG}/modules" "${PREFIX}/include/modules"
+	fi
+}

MPI/elpa/files/variants.rhel6

@@ -0,0 +1,2 @@
+elpa/2019.05.001	unstable	intel/19.4 impi/19.4
+elpa/2019.05.001_omp	unstable	intel/19.4 impi/19.4

MPI/elpa/modulefile

@@ -0,0 +1,36 @@
+#%Module1.0
+
+module-whatis		"Eigenvalue SoLvers for Petaflop-Applications"
+module-url		"https://elpa.mpcdf.mpg.de"
+module-license		"GNU LGPL, version 3"
+module-maintainer	"Achim Gsell <achim.gsell@psi.ch>"
+module-help		"
+The computation of selected or all eigenvalues and eigenvectors of a
+symmetric (Hermitian) matrix has high relevance for various scientific
+disciplines.
+
+For the calculation of a significant part of the eigensystem typically
+direct eigensolvers are used. For large problems, the eigensystem
+calculations with existing solvers can become the computational
+bottleneck.
+
+As a consequence, the ELPA project was initiated with the aim to
+develop and implement an efficient eigenvalue solver for petaflop
+applications, supported by the German Federal Government, through
+BMBF Grant 01IH08007, from Dec 2008 to Nov 2011.
+
+The challenging task has been addressed through a multi-disciplinary
+consortium of partners with complementary skills in different areas.
+
+As project outcome, the highly scalable and efficient direct eigen-
+solvers LPA have been developed. The ELPA library was publicly
+released in May 2011.
+
+Since the end of BMBF Grant 01IH08007 in Nov 2011, the ELPA library
+has been maintained by RZG - renamed to MPCDF in 2015.
+
+Through the BMBF Grant 01IH15001 (Project ELPA-AEO from Feb 2016 to
+Jan 2019) the ELPA library could be further optimized, enhanced and
+ported to new architectures.
+"
+