Added Gromacs 2019 with GPU support

This commit is contained in:
Caubet Serrabou Marc
2019-08-23 11:20:13 +02:00
parent 278d04929a
commit 08c8769fb6
2 changed files with 8 additions and 4 deletions

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@@ -1,2 +1 @@
gromacs/2019.3_sp unstable gcc/8.3.0 openmpi/3.1.4 cuda/9.2.148 Python/2.7.16 b:cmake/3.14.0
gromacs/2019.3_sp unstable gcc/7.4.0 openmpi/4.0.1 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0

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@@ -1,15 +1,20 @@
#!/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() {
# 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"