Convert gmx_molblock_t to C++
[gromacs.git] / docs / CMakeLists.txt
blob845ca619ddef1d42b84636ba56f019976d534836
2 # This file is part of the GROMACS molecular simulation package.
4 # Copyright (c) 2014,2015,2016,2017,2018, by the GROMACS development team, led by
5 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 # and including many others, as listed in the AUTHORS file in the
7 # top-level source directory and at http://www.gromacs.org.
9 # GROMACS is free software; you can redistribute it and/or
10 # modify it under the terms of the GNU Lesser General Public License
11 # as published by the Free Software Foundation; either version 2.1
12 # of the License, or (at your option) any later version.
14 # GROMACS is distributed in the hope that it will be useful,
15 # but WITHOUT ANY WARRANTY; without even the implied warranty of
16 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
17 # Lesser General Public License for more details.
19 # You should have received a copy of the GNU Lesser General Public
20 # License along with GROMACS; if not, see
21 # http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 # Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
24 # If you want to redistribute modifications to GROMACS, please
25 # consider that scientific software is very special. Version
26 # control is crucial - bugs must be traceable. We will be happy to
27 # consider code for inclusion in the official distribution, but
28 # derived work must not be called official GROMACS. Details are found
29 # in the README & COPYING files - if they are missing, get the
30 # official version at http://www.gromacs.org.
32 # To help us fund GROMACS development, we humbly ask that you cite
33 # the research papers on the package. Check out http://www.gromacs.org.
35 # This directory provides a unified place for building all kinds of
36 # GROMACS documentation. This includes some "static" content (Doxygen
37 # code documentation, reference manual, install guide, old online HTML
38 # images), and content generated from the gmx program for the various
39 # tools (man and HTML pages). It also provides the "webpage" target,
40 # that combines all of the above (except man pages in man format) into
41 # a form suitable for automated deployment to the GROMACS website. It
42 # also provides the INSTALL file for the tarball.
44 # The webpage is mostly built by Sphinx.  Variable values for Sphinx
45 # substitutions are configured by CMake (for things like version numbers),
46 # using gmx_configure_version_file().  This happens during build time instead
47 # of configure time, because 1) some of the version variables are only
48 # available during build time, and 2) we don't want to do all the Sphinx setup
49 # during configuration to save some time when not building the content.
50 # All the generated values get put into conf-vars.py (generated from
51 # conf-vars.py.cmakein), which in turn is included by the Sphinx configuration
52 # file conf.py.
54 set(SOURCE_MD5SUM "unknown" CACHE STRING
55     "MD5 sum of the source tarball, normally used only for the pre-release webpage build")
56 # REGRESSIONTEST_MD5SUM is set in cmake/gmxVersionInfo.cmake because it is used also in tests/CMakeLists.txt
57 mark_as_advanced(SOURCE_MD5SUM)
59 set(EXPECTED_DOXYGEN_VERSION 1.8.5)
61 set(EXPECTED_SPHINX_VERSION 1.4.1)
63 if (DEFINED PYTHON_EXECUTABLE)
64     # Keep quiet on subsequent runs of cmake
65     set(PythonInterp_FIND_QUIETLY ON)
66 endif()
67 find_package(PythonInterp 2.7)
68 find_package(Sphinx ${EXPECTED_SPHINX_VERSION} QUIET COMPONENTS pygments)
70 # Even if we aren't going to make the full webpage, set up to put all
71 # the documentation output in the same place, for convenience
72 set(HTML_OUTPUT_DIR "${CMAKE_CURRENT_BINARY_DIR}/html")
73 file(MAKE_DIRECTORY ${HTML_OUTPUT_DIR})
75 # The directory from which man pages will be installed; if it remains
76 # empty, they will be silently skipped.
77 set(MAN_PAGE_DIR)
78 if (SOURCE_IS_SOURCE_DISTRIBUTION)
79     # When building from the tarball, install the bundled man pages
80     # (unless overridden).
81     set(MAN_PAGE_DIR ${CMAKE_CURRENT_SOURCE_DIR})
82 endif()
84 add_subdirectory(doxygen)
85 add_subdirectory(manual)
87 if (SPHINX_FOUND)
88     # We need to have all the Sphinx input files in a single directory, and
89     # since some of them are generated, we copy everything into the build tree,
90     # to this directory.
91     set(SPHINX_INPUT_DIR ${CMAKE_CURRENT_BINARY_DIR}/sphinx-input)
92     set(SPHINX_EXTENSION_PATH ${CMAKE_CURRENT_SOURCE_DIR})
93     if (SOURCE_MD5SUM STREQUAL "unknown")
94         # But for testing the webpage build (e.g. from the repo) we
95         # need a default value.
96         set(REGRESSIONTEST_MD5SUM_STRING "unknown")
97     else()
98         # The real build of the webpage happens from the tarball, and
99         # this should be set to the matching MD5 sum.
100         set(REGRESSIONTEST_MD5SUM_STRING "${REGRESSIONTEST_MD5SUM}")
101     endif()
102     set(SPHINX_SOURCE_FILES
103         index.rst
104         download.rst
105         dev-manual/index.rst
106         dev-manual/build-system.rst
107         dev-manual/commitstyle.rst
108         dev-manual/documentation-generation.rst
109         dev-manual/contribute.rst
110         dev-manual/doxygen.rst
111         dev-manual/error-handling.rst
112         dev-manual/formatting.rst
113         dev-manual/gmxtree.rst
114         dev-manual/includestyle.rst
115         dev-manual/jenkins.rst
116         dev-manual/language-features.rst
117         dev-manual/naming.rst
118         dev-manual/overview.rst
119         dev-manual/redmine-states.png
120         dev-manual/relocatable-binaries.rst
121         dev-manual/reportstyle.rst
122         dev-manual/style.rst
123         dev-manual/testutils.rst
124         dev-manual/tools.rst
125         dev-manual/uncrustify.rst
126         fragments/doxygen-links.rst
127         install-guide/index.rst
128         release-notes/index.rst
129         release-notes/2018/2018.2.rst
130         release-notes/2018/2018.1.rst
131         release-notes/2018/major/highlights.rst
132         release-notes/2018/major/features.rst
133         release-notes/2018/major/performance.rst
134         release-notes/2018/major/tools.rst
135         release-notes/2018/major/bugs-fixed.rst
136         release-notes/2018/major/removed-features.rst
137         release-notes/2018/major/portability.rst
138         release-notes/2018/major/miscellaneous.rst
139         release-notes/2016/2016.5.rst
140         release-notes/2016/2016.4.rst
141         release-notes/2016/2016.3.rst
142         release-notes/2016/2016.2.rst
143         release-notes/2016/2016.1.rst
144         release-notes/2016/major/highlights.rst
145         release-notes/2016/major/new-features.rst
146         release-notes/2016/major/performance.rst
147         release-notes/2016/major/tools.rst
148         release-notes/2016/major/bugs-fixed.rst
149         release-notes/2016/major/removed-features.rst
150         release-notes/2016/major/miscellaneous.rst
151         release-notes/older/index.rst
152         user-guide/index.rst
153         user-guide/cutoff-schemes.rst
154         user-guide/getting-started.rst
155         user-guide/force-fields.rst
156         user-guide/faq.rst
157         user-guide/flow.rst
158         user-guide/floating-point.rst
159         user-guide/system-preparation.rst
160         user-guide/managing-simulations.rst
161         user-guide/mdrun-features.rst
162         user-guide/mdrun-performance.rst
163         user-guide/mdp-options.rst
164         user-guide/run-time-errors.rst
165         user-guide/file-formats.rst
166         user-guide/cmdline.rst
167         user-guide/environment-variables.rst
168         user-guide/terminology.rst
169         user-guide/plotje.gif
170         user-guide/xvgr.gif
171         conf.py
172         links.dat
173         )
175     include(SphinxMacros.cmake)
176     gmx_init_sphinx_setup(${SPHINX_INPUT_DIR})
178     set(SPHINX_CONFIG_VARS_FILE ${SPHINX_INPUT_DIR}/conf-vars.py)
179     gmx_configure_version_file(conf-vars.py.cmakein ${SPHINX_CONFIG_VARS_FILE}
180         EXTRA_VARS
181             SPHINX_EXTENSION_PATH RELENG_PATH
182             EXPECTED_DOXYGEN_VERSION
183             EXPECTED_SPHINX_VERSION
184             CMAKE_MINIMUM_REQUIRED_VERSION REQUIRED_CUDA_VERSION
185             REQUIRED_OPENCL_MIN_VERSION
186             REQUIRED_CUDA_COMPUTE_CAPABILITY REGRESSIONTEST_VERSION
187             SOURCE_MD5SUM REGRESSIONTEST_MD5SUM_STRING
188             GMX_TNG_MINIMUM_REQUIRED_VERSION
189             GMX_LMFIT_MINIMUM_REQUIRED_VERSION
190         COMMENT "Configuring Sphinx configuration file")
191     gmx_add_sphinx_input_file(${SPHINX_CONFIG_VARS_FILE})
192     gmx_add_sphinx_source_files(FILES ${SPHINX_SOURCE_FILES})
193     if (EXISTS ${RELENG_PATH}/docs/FileList.cmake)
194         include(${RELENG_PATH}/docs/FileList.cmake)
195         gmx_add_sphinx_source_files(
196             FROM ${RELENG_PATH}/docs TO dev-manual/releng PREFIX releng/docs/
197             FILES ${RELENG_SPHINX_FILES})
198     else()
199         gmx_add_sphinx_source_files(FILES
200             dev-manual/releng/index.rst
201             dev-manual/releng/jenkins-howto.rst
202             dev-manual/releng/jenkins-ui.rst
203             )
204     endif()
205     gmx_add_sphinx_input_target(sphinx-input)
206     # Remove other rst files from the build tree, since they confuse Sphinx.
207     # Skip generated files in onlinehelp/, and fragments.
208     # The latter do not cause issues with obsolete files, as they
209     # are not considered as Sphinx input files, but will only be
210     # included using an explicit .. include::.
211     gmx_remove_obsolete_sphinx_input_files("^(onlinehelp|fragments)/.*\\\\.rst$")
213     # TODO: Make this remove obsolete .rst files.
214     # TODO: This does not work in cross-compilation scenarios; disable up to
215     # the necessary level.
216     gmx_add_custom_output_target(sphinx-programs OUTPUT STAMP
217         COMMAND ${CMAKE_COMMAND} -E make_directory onlinehelp
218         COMMAND gmx -quiet help -export rst
219         DEPENDS gmx
220         WORKING_DIRECTORY ${SPHINX_INPUT_DIR}
221         COMMENT "Generating reStructuredText help")
222     # This dependency ensures that the directories exist before the
223     # executable tries to write things there.
224     add_dependencies(sphinx-programs sphinx-input)
226     # Make the INSTALL file for CPack for the tarball. This gets put
227     # into the tarball via the CPack rules below, which requires that
228     # the INSTALL file is in a separate directory by itself.
229     set(TEXT_INSTALL_GUIDE_OUTPUT_DIR "install-guide/text")
230     add_custom_target(install-guide
231         COMMAND
232             ${SPHINX_EXECUTABLE}
233             -q -b text
234             -w sphinx-install.log
235             -d ${CMAKE_CURRENT_BINARY_DIR}/install-guide/_doctrees
236             -c ${SPHINX_INPUT_DIR}
237             "${SPHINX_INPUT_DIR}/install-guide"
238             "${TEXT_INSTALL_GUIDE_OUTPUT_DIR}"
239         COMMAND
240             ${CMAKE_COMMAND} -E rename
241             ${TEXT_INSTALL_GUIDE_OUTPUT_DIR}/index.txt
242             ${TEXT_INSTALL_GUIDE_OUTPUT_DIR}/INSTALL
243         WORKING_DIRECTORY
244             ${CMAKE_CURRENT_BINARY_DIR}
245         COMMENT "Building INSTALL with Sphinx"
246         VERBATIM
247         )
248     add_dependencies(install-guide sphinx-input)
249     gmx_cpack_add_generated_source_directory(install-guide/text DESTINATION /)
251     # Sphinx cache with pickled ReST documents
252     set(SPHINX_CACHE_DIR "${CMAKE_CURRENT_BINARY_DIR}/_doctrees")
254     add_custom_target(webpage-sphinx
255         COMMAND
256             ${CMAKE_COMMAND} -E make_directory ${SPHINX_INPUT_DIR}/_static
257         COMMAND
258             ${SPHINX_EXECUTABLE}
259             -q -b html
260             -w sphinx-html.log
261             -d "${SPHINX_CACHE_DIR}"
262             "${SPHINX_INPUT_DIR}"
263             "${HTML_OUTPUT_DIR}"
264         WORKING_DIRECTORY
265             ${CMAKE_CURRENT_BINARY_DIR}
266         COMMENT "Building HTML documentation with Sphinx"
267         VERBATIM
268         )
269     add_dependencies(webpage-sphinx sphinx-input sphinx-programs)
271     add_custom_target(man
272         COMMAND
273             ${SPHINX_EXECUTABLE}
274             -q -b man
275             -w sphinx-man.log
276             -d ${SPHINX_CACHE_DIR}
277             -t do_man
278             ${SPHINX_INPUT_DIR}
279             ${CMAKE_CURRENT_BINARY_DIR}/man
280         COMMENT "Building man pages with Sphinx"
281         VERBATIM)
282     add_dependencies(man sphinx-input sphinx-programs)
283     if (GMX_BUILD_HELP)
284         # If requested, install the man pages built by the 'man' target
285         # created above.  Nothing will be installed if the user did not
286         # manually build the target.
287         set(MAN_PAGE_DIR ${CMAKE_CURRENT_BINARY_DIR})
288     endif()
289 else()
290     add_custom_target(webpage-sphinx
291         COMMAND ${CMAKE_COMMAND} -E echo
292             "HTML pages cannot be built because Sphinx version ${EXPECTED_SPHINX_VERSION} is not available"
293         VERBATIM)
294     add_custom_target(install-guide
295         COMMAND ${CMAKE_COMMAND} -E echo
296             "INSTALL cannot be built because Sphinx version ${EXPECTED_SPHINX_VERSION} is not available"
297         VERBATIM)
298     add_custom_target(man
299         COMMAND ${CMAKE_COMMAND} -E echo
300             "man pages cannot be built because Sphinx version ${EXPECTED_SPHINX_VERSION} is not available"
301         VERBATIM)
302 endif()
304 if (MAN_PAGE_DIR)
305     set(MAN_PAGE_DIR ${MAN_PAGE_DIR}/man)
306     # Trailing slash on directory is significant for
307     # install(DIRECTORY). See CMake docs.
308     install(DIRECTORY ${MAN_PAGE_DIR}/
309         DESTINATION ${MAN_INSTALL_DIR}/man1
310         COMPONENT man OPTIONAL
311         FILES_MATCHING PATTERN "*.1")
312 endif()
313 gmx_cpack_add_generated_source_directory(man)
315 # Determine whether we can build all the HTML pages and content linked from
316 # there.  If not, construct an informative message if the user tries to
317 # build the target; most people never need to know, unless they've asked for
318 # the webpage build.
319 set(HTML_BUILD_IS_POSSIBLE ON)
320 set(HTML_BUILD_NOT_POSSIBLE_REASON)
321 set(HTML_BUILD_WARNINGS)
323 # Next, turn it off if any of the preconditions are unsatisified
324 if (NOT PYTHON_EXECUTABLE)
325     set(HTML_BUILD_IS_POSSIBLE OFF)
326     set(HTML_BUILD_NOT_POSSIBLE_REASON "Python is required")
327 elseif (NOT SPHINX_FOUND)
328     # Hardly anything gets built if Sphinx is not available, so don't bother.
329     set(HTML_BUILD_IS_POSSIBLE OFF)
330     set(HTML_BUILD_NOT_POSSIBLE_REASON "Sphinx version ${EXPECTED_SPHINX_VERSION} is required")
331 endif()
332 if (NOT MANUAL_BUILD_IS_POSSIBLE)
333     list(APPEND HTML_BUILD_WARNINGS
334          "Reference PDF manual was not built, so links to it do not work")
335 endif()
336 if (NOT DOXYGEN_EXECUTABLE)
337     list(APPEND HTML_BUILD_WARNINGS
338         "Doxygen was not available, so links to Doxygen do not work")
339 endif()
340 if (NOT DOXYGEN_DOT_EXECUTABLE)
341     list(APPEND HTML_BUILD_WARNINGS
342         "dot/graphviz was not found, so some graphs are missing")
343 endif()
345 if (HTML_BUILD_IS_POSSIBLE)
346     set(_webpage_target_properties)
347     if (HTML_BUILD_WARNINGS)
348         list(APPEND _webpage_target_properties
349              COMMAND ${CMAKE_COMMAND} -E echo
350                  "webpage was built, but with the following limitations:")
351         foreach(_warning ${HTML_BUILD_WARNINGS})
352         list(APPEND _webpage_target_properties
353              COMMAND ${CMAKE_COMMAND} -E echo " - ${_warning}")
354         endforeach()
355     endif()
357     if (MANUAL_BUILD_IS_POSSIBLE)
358         # Make the PDF reference guide
359         # TODO Try to make the PDF arrive directly in ${HTML_OUTPUT_DIR}
360         # TODO Make this depend on the output of the manual build, so that the
361         # file actually gets copied multiple times.
362         set(_manual_target_location ${HTML_OUTPUT_DIR}/manual-${GMX_VERSION_STRING}.pdf)
363         add_custom_command(
364             OUTPUT ${_manual_target_location}
365             COMMAND ${CMAKE_COMMAND}
366                 -E remove -f ${_manual_target_location}
367             COMMAND ${CMAKE_COMMAND}
368                 -E copy ${CMAKE_CURRENT_BINARY_DIR}/manual/gromacs.pdf ${_manual_target_location}
369             DEPENDS manual
370             VERBATIM)
371         list(APPEND _webpage_target_properties
372              DEPENDS ${_manual_target_location})
373     endif()
375     # The Doxygen configuration in doxygen/Doxyfile-common.cmakein
376     # makes all the Doxygen output directly in
377     # ${HTML_OUTPUT_DIR}/doxygen (and makes the directory if it needs
378     # to).
380     # Add a top-level target that builds everything related to the webpage,
381     # for Jenkins (and possibly others) to use
382     add_custom_target(webpage ${_webpage_target_properties}
383         COMMENT "Building webpage"
384         VERBATIM)
385     add_dependencies(webpage webpage-sphinx doxygen-all)
386 else()
387     add_custom_target(webpage
388         COMMAND ${CMAKE_COMMAND} -E echo
389             "Cannot build webpage because ${HTML_BUILD_NOT_POSSIBLE_REASON}"
390         COMMENT "Webpage build not possible"
391         VERBATIM)
392 endif()