Added Gromacs 2019 with GPU support
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@@ -1,2 +1 @@
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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
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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 @@
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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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# 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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