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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,41 @@ | ||
| # | ||
| # This file is part of the GROMACS molecular simulation package. | ||
| # | ||
| # Copyright (c) 2016, by the GROMACS development team, led by | ||
| # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, | ||
| # and including many others, as listed in the AUTHORS file in the | ||
| # top-level source directory and at http://www.gromacs.org. | ||
| # | ||
| # GROMACS is free software; you can redistribute it and/or | ||
| # modify it under the terms of the GNU Lesser General Public License | ||
| # as published by the Free Software Foundation; either version 2.1 | ||
| # of the License, or (at your option) any later version. | ||
| # | ||
| # GROMACS is distributed in the hope that it will be useful, | ||
| # but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
| # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU | ||
| # Lesser General Public License for more details. | ||
| # | ||
| # You should have received a copy of the GNU Lesser General Public | ||
| # License along with GROMACS; if not, see | ||
| # http://www.gnu.org/licenses, or write to the Free Software Foundation, | ||
| # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. | ||
| # | ||
| # If you want to redistribute modifications to GROMACS, please | ||
| # consider that scientific software is very special. Version | ||
| # control is crucial - bugs must be traceable. We will be happy to | ||
| # consider code for inclusion in the official distribution, but | ||
| # derived work must not be called official GROMACS. Details are found | ||
| # in the README & COPYING files - if they are missing, get the | ||
| # official version at http://www.gromacs.org. | ||
| # | ||
| # To help us fund GROMACS development, we humbly ask that you cite | ||
| # the research papers on the package. Check out http://www.gromacs.org. | ||
|
|
||
| import json | ||
|
|
||
| def do_build(context): | ||
| cmd = [context.env.cmake_command, '-P', 'cmake/gmxVersionInfo.cmake'] | ||
| info_json = context.run_cmd(cmd, use_output=True) | ||
| values = json.loads(info_json) | ||
| context.set_version_info(values['version'], values['regressiontest-md5sum']) |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,57 @@ | ||
| # | ||
| # This file is part of the GROMACS molecular simulation package. | ||
| # | ||
| # Copyright (c) 2016, by the GROMACS development team, led by | ||
| # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, | ||
| # and including many others, as listed in the AUTHORS file in the | ||
| # top-level source directory and at http://www.gromacs.org. | ||
| # | ||
| # GROMACS is free software; you can redistribute it and/or | ||
| # modify it under the terms of the GNU Lesser General Public License | ||
| # as published by the Free Software Foundation; either version 2.1 | ||
| # of the License, or (at your option) any later version. | ||
| # | ||
| # GROMACS is distributed in the hope that it will be useful, | ||
| # but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
| # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU | ||
| # Lesser General Public License for more details. | ||
| # | ||
| # You should have received a copy of the GNU Lesser General Public | ||
| # License along with GROMACS; if not, see | ||
| # http://www.gnu.org/licenses, or write to the Free Software Foundation, | ||
| # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. | ||
| # | ||
| # If you want to redistribute modifications to GROMACS, please | ||
| # consider that scientific software is very special. Version | ||
| # control is crucial - bugs must be traceable. We will be happy to | ||
| # consider code for inclusion in the official distribution, but | ||
| # derived work must not be called official GROMACS. Details are found | ||
| # in the README & COPYING files - if they are missing, get the | ||
| # official version at http://www.gromacs.org. | ||
| # | ||
| # To help us fund GROMACS development, we humbly ask that you cite | ||
| # the research papers on the package. Check out http://www.gromacs.org. | ||
|
|
||
| import json | ||
|
|
||
| extra_options = { | ||
| 'md5sum': Option.string | ||
| } | ||
|
|
||
| def do_build(context): | ||
| info_path = 'cmake/gmxVersionInfo.cmake' | ||
| cmd = [context.env.cmake_command, '-P', info_path] | ||
| info_json = context.run_cmd(cmd, use_output=True) | ||
| values = json.loads(info_json) | ||
| old_md5sum = values['regressiontest-md5sum'] | ||
| new_md5sum = context.opts.md5sum | ||
| if new_md5sum != old_md5sum: | ||
| context.replace_in_file(info_path, r'set\(REGRESSIONTEST_MD5SUM "(\w*)"', | ||
| lambda x: do_replacement(x, new_md5sum)) | ||
| context.workspace.upload_revision(project=Project.GROMACS, file_glob=info_path) | ||
|
|
||
| def do_replacement(match, new_md5sum): | ||
| result = match.group(0) | ||
| start = match.start(1) - match.start(0) | ||
| end = match.end(1) - match.end(0) | ||
| return result[:start] + new_md5sum + result[end:] |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,98 @@ | ||
| # | ||
| # This file is part of the GROMACS molecular simulation package. | ||
| # | ||
| # Copyright (c) 2016, by the GROMACS development team, led by | ||
| # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, | ||
| # and including many others, as listed in the AUTHORS file in the | ||
| # top-level source directory and at http://www.gromacs.org. | ||
| # | ||
| # GROMACS is free software; you can redistribute it and/or | ||
| # modify it under the terms of the GNU Lesser General Public License | ||
| # as published by the Free Software Foundation; either version 2.1 | ||
| # of the License, or (at your option) any later version. | ||
| # | ||
| # GROMACS is distributed in the hope that it will be useful, | ||
| # but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
| # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU | ||
| # Lesser General Public License for more details. | ||
| # | ||
| # You should have received a copy of the GNU Lesser General Public | ||
| # License along with GROMACS; if not, see | ||
| # http://www.gnu.org/licenses, or write to the Free Software Foundation, | ||
| # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. | ||
| # | ||
| # If you want to redistribute modifications to GROMACS, please | ||
| # consider that scientific software is very special. Version | ||
| # control is crucial - bugs must be traceable. We will be happy to | ||
| # consider code for inclusion in the official distribution, but | ||
| # derived work must not be called official GROMACS. Details are found | ||
| # in the README & COPYING files - if they are missing, get the | ||
| # official version at http://www.gromacs.org. | ||
| # | ||
| # To help us fund GROMACS development, we humbly ask that you cite | ||
| # the research papers on the package. Check out http://www.gromacs.org. | ||
|
|
||
| include(gmxOptionUtilities) | ||
|
|
||
| # Sets GMX_USE_PLUGINS=ON in the parent scope if the toolchain and | ||
| # user selections permit the build to support plugin loading. | ||
| function(gmx_manage_plugin_support) | ||
| gmx_option_trivalue(GMX_LOAD_PLUGINS "Compile with plugin support, needed to read VMD supported file formats" AUTO) | ||
| mark_as_advanced(GMX_LOAD_PLUGINS) | ||
|
|
||
| # Find out if non-Windows builds can support plugins. Native Windows | ||
| # neither needs nor has library support. | ||
| if (NOT WIN32) | ||
| # TODO Make a proper find_package for dlopen to find | ||
| # dlfcn.h. The CMake variable CMAKE_DL_LIBS works magically | ||
| # for the library, however. | ||
| include(gmxTestdlopen) | ||
| gmx_test_dlopen(HAVE_DLOPEN) | ||
| endif() | ||
|
|
||
| # Keep the status line quiet unless something relevant has | ||
| # changed. | ||
| gmx_check_if_changed(EMIT_STATUS_MESSAGES GMX_LOAD_PLUGINS BUILD_SHARED_LIBS HAVE_DLOPEN) | ||
|
|
||
| # Whether GROMACS will really try to compile support for VMD | ||
| # plugins. | ||
| set(GMX_USE_PLUGINS OFF) | ||
|
|
||
| # Plugins are supported natively on Windows | ||
| if (WIN32 OR (BUILD_SHARED_LIBS AND HAVE_DLOPEN)) | ||
| set(GMX_USE_PLUGINS ${GMX_LOAD_PLUGINS}) | ||
| elseif(GMX_LOAD_PLUGINS) | ||
| # Can't support plugins for some reason. If the user required | ||
| # plugins, emit fatal errors. Otherwise, emit status messages | ||
| # for AUTO and be silent for OFF. | ||
| set(message "") | ||
| if (NOT HAVE_DLOPEN) | ||
| set(message "${message}dlopen() support for using dynamic plugins for VMD-supported file formats is missing. ") | ||
| endif() | ||
| if(NOT BUILD_SHARED_LIBS) | ||
| set(message "${message}GROMACS only supports plugins in a build that uses shared libraries, which can be disabled for various reasons. BUILD_SHARED_LIBS=on and a toolchain that supports dynamic linking is required. (Hint: GMX_PREFER_STATIC_LIBS and GMX_BUILD_MDRUN_ONLY can influence the default BUILD_SHARED_LIBS, so if you need plugins, reconsider those choices.) ") | ||
| endif() | ||
| if (GMX_LOAD_PLUGINS_FORCE) | ||
| message(FATAL_ERROR "${message}Cannot build with GMX_LOAD_PLUGINS=${GMX_LOAD_PLUGINS}.") | ||
| endif() | ||
| if (GMX_LOAD_PLUGINS_AUTO AND EMIT_STATUS_MESSAGES) | ||
| message(STATUS "${message}") | ||
| endif() | ||
| endif() | ||
|
|
||
| if(EMIT_STATUS_MESSAGES) | ||
| if(GMX_USE_PLUGINS) | ||
| MESSAGE(STATUS "Using dynamic plugins (e.g VMD-supported file formats)") | ||
| else() | ||
| MESSAGE(STATUS "Not using dynamic plugins (e.g VMD-supported file formats)") | ||
| endif() | ||
| endif() | ||
| set(GMX_USE_PLUGINS ${GMX_USE_PLUGINS} PARENT_SCOPE) | ||
| endfunction() | ||
|
|
||
| gmx_manage_plugin_support() | ||
|
|
||
| if(GMX_USE_PLUGINS) | ||
| list(APPEND GMX_EXTRA_LIBRARIES ${CMAKE_DL_LIBS}) # magic cross-platform pre-set variable for dlopen library | ||
| set(PKG_DL_LIBS "-l${CMAKE_DL_LIBS}") | ||
| endif() |
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