Merge branch 'master' of gitlab.psi.ch:Pmodules/buildblocks
This commit is contained in:
@@ -2,6 +2,16 @@ FFTW
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====
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FFTW is highly optimized, but downgrades if run on an older processor. It
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should be built compiled on a system with SSE2 and AVX2 support (e.g. merlin).
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should be built compiled on merlin, since it needs SSE2, AVX2, and Infiniband
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(libfabric).
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This module requires PMODULE_VERSION > 1.0.0 to compile.
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The module is currently organized around several use flags:
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- *sp* single precision vs *dp* double precision
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- *merlin6* vs *merlin*. These come from the upstream dependency on openmpi,
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which needs to be compiled differently for RHEL6 (merlin) and RHEL7
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(merlin6).
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@@ -3,7 +3,7 @@
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pbuild::add_to_group 'MPI'
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pbuild::set_download_url "http://www.fftw.org/fftw-$V.tar.gz"
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pbuild::set_download_url "http://www.fftw.org/fftw-${V_PKG}.tar.gz"
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pbuild::set_sha256sum "fftw-3.3.8.tar.gz:6113262f6e92c5bd474f2875fa1b01054c4ad5040f6b0da7c03c98821d9ae303"
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pbuild::install_docfiles 'COPYRIGHT' 'COPYING' 'README' 'NEWS'
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@@ -22,4 +22,18 @@ pbuild::pre_configure() {
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# CPU optimizations
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pbuild::add_configure_args "--enable-sse2"
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pbuild::add_configure_args "--enable-avx2"
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pbuild::add_configure_args "--with-pic"
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#pbuild::add_configure_args "--enable-shared"
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# Floating point precision
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#pbuild::add_configure_args "--enable-type-prefix"
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if pbuild::use_flag "sp"; then
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pbuild::add_configure_args "--enable-single"
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pbuild::add_configure_args "--enable-sse"
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elif pbuild::use_flag "dp"; then
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: #default
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else
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echo "No flag specified" >&2
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exit 1
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fi
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}
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@@ -1 +1,8 @@
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fftw/3.3.8 unstable gcc/{7.3.0,8.2.0} mpich/3.2.1 openmpi/3.1.3
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fftw/3.3.8 deprecated gcc/{7.3.0,8.2.0} mpich/3.2.1 openmpi/3.1.3
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# Use older MPI version on merlin5
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fftw/3.3.8-1_sp_merlin unstable gcc/8.2.0 mpich/3.2.1 openmpi/3.1.1
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fftw/3.3.8-1_dp_merlin unstable gcc/8.2.0 mpich/3.2.1 openmpi/3.1.1
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# Merlin6 mpi version
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fftw/3.3.8-1_sp_merlin6 unstable gcc/{7.4.0,8.3.0} mpich/3.3 openmpi/3.1.4_merlin6
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fftw/3.3.8-1_dp_merlin6 unstable gcc/{7.4.0,8.3.0} mpich/3.3 openmpi/3.1.4_merlin6
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1
MPI/gromacs/2019/variants
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1
MPI/gromacs/2019/variants
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@@ -0,0 +1 @@
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gromacs/2019.3_sp stable gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0
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@@ -1,21 +1,34 @@
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#!/usr/bin/env modbuild
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#!/usr/bin/env modbuild
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pbuild::set_download_url "http://ftp.gromacs.org/pub/$P/$P-${V_PKG}.tar.gz"
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pbuild::add_to_group 'MPI'
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pbuild::install_docfiles ACKNOWLEDGMENTS COPYING MANIFEST README.txt
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if (( V_MAJOR <= 2018 )); then
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pbuild::install_docfiles ACKNOWLEDGMENTS COPYING MANIFEST README.txt
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else
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pbuild::install_docfiles AUTHORS COPYING README
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fi
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pbuild::pre_configure() {
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pbuild::add_configure_args "-DCMAKE_BUILD_TYPE=RELEASE"
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pbuild::add_configure_args "-DGMX_MPI=on"
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# For enabling GPU, set to 'yes'
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local enable_gpu='yes'
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echo here
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pbuild::add_configure_args "-DCMAKE_BUILD_TYPE=RELEASE"
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pbuild::add_configure_args "-DGMX_MPI=on"
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if pbuild::use_flag dp ; then
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pbuild::add_configure_args "-DGFMX_DOUBLE=on"
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pbuild::add_configure_args "-DGFMX_DOUBLE=on"
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else # pbuild::use_flag sp
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pbuild::add_configure_args "-DGFMX_DOUBLE=off"
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pbuild::add_configure_args "-DGFMX_DOUBLE=off"
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fi
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if [[ "${enable_gpu}" == 'yes' ]]; then
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pbuild::add_configure_args "-DGMX_GPU=on"
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else
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pbuild::add_configure_args "-DGMX_GPU=off"
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# To remove: pbuild::add_configure_args "-DGMX_SIMD=SSE2"
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pbuild::add_configure_args "-DGMX_BUILD_OWN_FFTW=on"
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fi
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# To remove: pbuild::add_configure_args "-DGMX_SIMD=SSE2"
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pbuild::add_configure_args "-DGMX_BUILD_OWN_FFTW=on"
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}
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1
Programming/Java/12.0.2/variants
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1
Programming/Java/12.0.2/variants
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@@ -0,0 +1 @@
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Java/12.0.2 stable
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55
Programming/Java/build
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55
Programming/Java/build
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@@ -0,0 +1,55 @@
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#!/usr/bin/env modbuild
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pbuild::set_download_url "https://download.java.net/java/GA/jdk12.0.2/e482c34c86bd4bf8b56c0b35558996b9/10/GPL/openjdk-12.0.2_linux-x64_bin.tar.gz"
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pbuild::add_to_group 'Programming'
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pbuild::compile_in_sourcetree
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pbuild::install_docfiles "legal/jdk.net/LICENSE" "release"
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pbuild::compile() {
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:
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}
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pbuild::install() {
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install -m 0755 -d "${PREFIX}/bin"
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for binary_file in $(ls ${SRC_DIR}/bin/*)
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do
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install -m 0755 "${binary_file}" "${PREFIX}/bin"
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done
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for java_dir in $(echo "lib lib/security lib/jfr lib/server")
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do
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mkdir -p "${PREFIX}/${java_dir}"
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install -m 0755 -d "${PREFIX}/${java_dir}"
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for library_file in $(find ${SRC_DIR}/${java_dir} -maxdepth 1 -type f)
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do
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install -m 0755 "${library_file}" "${PREFIX}/${java_dir}"
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done
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done
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for java_dir in $(echo "conf conf/management conf/security conf/security/policy conf/security/policy/unlimited conf/security/policy/limited conf/sdp")
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do
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mkdir -p "${PREFIX}/${java_dir}"
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install -m 0755 -d "${PREFIX}/${java_dir}"
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for library_file in $(find ${SRC_DIR}/${java_dir} -maxdepth 1 -type f)
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do
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install -m 0755 "${library_file}" "${PREFIX}/${java_dir}"
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done
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done
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for java_dir in $(echo "jmods")
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do
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mkdir -p "${PREFIX}/${java_dir}"
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install -m 0755 -d "${PREFIX}/${java_dir}"
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for library_file in $(find ${SRC_DIR}/${java_dir} -maxdepth 1 -type f)
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do
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install -m 0755 "${library_file}" "${PREFIX}/${java_dir}"
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done
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done
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}
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pbuild::cleanup_src() {
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:
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}
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21
Programming/Java/modulefile
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21
Programming/Java/modulefile
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@@ -0,0 +1,21 @@
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#%Module1.0
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module-whatis "Java Development Kit builds, from Oracle"
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module-url "http://jdk.java.net/"
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module-license "See PREFIX/share/doc/COPYING"
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module-maintainer "Marc Caubet <marc.caubet@psi.ch>"
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module-help "
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Open Java Development Kit) is a free and open-source
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implementation of the Java Platform, Standard Edition
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(Java SE). It is the result of an effort Sun Microsystems
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began in 2006.
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The implementation is licensed under the GNU General
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Public License (GNU GPL) version 2 with a linking
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exception. Were it not for the GPL linking exception,
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components that linked to the Java class library would be
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subject to the terms of the GPL license.
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OpenJDK is the official reference implementation of Java
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SE.
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"
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