Commit 5039cb61 authored by caubet_m's avatar caubet_m
Browse files

Merge branch 'gromacs_gpu' into 'master'

Gromacs gpu

See merge request Pmodules/buildblocks!32
parents a0c34059 81e7fe8a
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
#!/usr/bin/env modbuild
#!/usr/bin/env modbuild
pbuild::set_download_url "http://ftp.gromacs.org/pub/$P/$P-${V_PKG}.tar.gz"
pbuild::add_to_group 'MPI'
pbuild::install_docfiles ACKNOWLEDGMENTS COPYING MANIFEST README.txt
if (( V_MAJOR <= 2018 )); then
pbuild::install_docfiles ACKNOWLEDGMENTS COPYING MANIFEST README.txt
else
pbuild::install_docfiles AUTHORS COPYING README
fi
pbuild::pre_configure() {
pbuild::add_configure_args "-DCMAKE_BUILD_TYPE=RELEASE"
pbuild::add_configure_args "-DGMX_MPI=on"
# For enabling GPU, set to 'yes'
local enable_gpu='yes'
echo here
pbuild::add_configure_args "-DCMAKE_BUILD_TYPE=RELEASE"
pbuild::add_configure_args "-DGMX_MPI=on"
if pbuild::use_flag dp ; then
pbuild::add_configure_args "-DGFMX_DOUBLE=on"
pbuild::add_configure_args "-DGFMX_DOUBLE=on"
else # pbuild::use_flag sp
pbuild::add_configure_args "-DGFMX_DOUBLE=off"
pbuild::add_configure_args "-DGFMX_DOUBLE=off"
fi
if [[ "${enable_gpu}" == 'yes' ]]; then
pbuild::add_configure_args "-DGMX_GPU=on"
else
pbuild::add_configure_args "-DGMX_GPU=off"
# To remove: pbuild::add_configure_args "-DGMX_SIMD=SSE2"
pbuild::add_configure_args "-DGMX_BUILD_OWN_FFTW=on"
fi
# To remove: pbuild::add_configure_args "-DGMX_SIMD=SSE2"
pbuild::add_configure_args "-DGMX_BUILD_OWN_FFTW=on"
}
#!/usr/bin/env modbuild
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"
pbuild::add_to_group 'Programming'
pbuild::compile_in_sourcetree
pbuild::install_docfiles "legal/jdk.net/LICENSE" "release"
pbuild::compile() {
:
}
pbuild::install() {
install -m 0755 -d "${PREFIX}/bin"
for binary_file in $(ls ${SRC_DIR}/bin/*)
do
install -m 0755 "${binary_file}" "${PREFIX}/bin"
done
for java_dir in $(echo "lib lib/security lib/jfr lib/server")
do
mkdir -p "${PREFIX}/${java_dir}"
install -m 0755 -d "${PREFIX}/${java_dir}"
for library_file in $(find ${SRC_DIR}/${java_dir} -maxdepth 1 -type f)
do
install -m 0755 "${library_file}" "${PREFIX}/${java_dir}"
done
done
for java_dir in $(echo "conf conf/management conf/security conf/security/policy conf/security/policy/unlimited conf/security/policy/limited conf/sdp")
do
mkdir -p "${PREFIX}/${java_dir}"
install -m 0755 -d "${PREFIX}/${java_dir}"
for library_file in $(find ${SRC_DIR}/${java_dir} -maxdepth 1 -type f)
do
install -m 0755 "${library_file}" "${PREFIX}/${java_dir}"
done
done
for java_dir in $(echo "jmods")
do
mkdir -p "${PREFIX}/${java_dir}"
install -m 0755 -d "${PREFIX}/${java_dir}"
for library_file in $(find ${SRC_DIR}/${java_dir} -maxdepth 1 -type f)
do
install -m 0755 "${library_file}" "${PREFIX}/${java_dir}"
done
done
}
pbuild::cleanup_src() {
:
}
#%Module1.0
module-whatis "Java Development Kit builds, from Oracle"
module-url "http://jdk.java.net/"
module-license "See PREFIX/share/doc/COPYING"
module-maintainer "Marc Caubet <marc.caubet@psi.ch>"
module-help "
Open Java Development Kit) is a free and open-source
implementation of the Java Platform, Standard Edition
(Java SE). It is the result of an effort Sun Microsystems
began in 2006.
The implementation is licensed under the GNU General
Public License (GNU GPL) version 2 with a linking
exception. Were it not for the GPL linking exception,
components that linked to the Java class library would be
subject to the terms of the GPL license.
OpenJDK is the official reference implementation of Java
SE.
"
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