docs/CMakeLists.txt

   1 #
   2 # This file is part of the GROMACS molecular simulation package.
   3 #
   4 # Copyright (c) 2014,2015,2016,2017,2018 by the GROMACS development team.
   5 # Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
   6 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   7 # and including many others, as listed in the AUTHORS file in the
   8 # top-level source directory and at http://www.gromacs.org.
   9 #
  10 # GROMACS is free software; you can redistribute it and/or
  11 # modify it under the terms of the GNU Lesser General Public License
  12 # as published by the Free Software Foundation; either version 2.1
  13 # of the License, or (at your option) any later version.
  14 #
  15 # GROMACS is distributed in the hope that it will be useful,
  16 # but WITHOUT ANY WARRANTY; without even the implied warranty of
  17 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  18 # Lesser General Public License for more details.
  19 #
  20 # You should have received a copy of the GNU Lesser General Public
  21 # License along with GROMACS; if not, see
  22 # http://www.gnu.org/licenses, or write to the Free Software Foundation,
  23 # Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  24 #
  25 # If you want to redistribute modifications to GROMACS, please
  26 # consider that scientific software is very special. Version
  27 # control is crucial - bugs must be traceable. We will be happy to
  28 # consider code for inclusion in the official distribution, but
  29 # derived work must not be called official GROMACS. Details are found
  30 # in the README & COPYING files - if they are missing, get the
  31 # official version at http://www.gromacs.org.
  32 #
  33 # To help us fund GROMACS development, we humbly ask that you cite
  34 # the research papers on the package. Check out http://www.gromacs.org.
  35
  36 # This directory provides a unified place for building all kinds of
  37 # GROMACS documentation. This includes some "static" content (Doxygen
  38 # code documentation, reference manual, install guide, old online HTML
  39 # images), and content generated from the gmx program for the various
  40 # tools (man and HTML pages). It also provides the "webpage" target,
  41 # that combines all of the above (except man pages in man format) into
  42 # a form suitable for automated deployment to the GROMACS website. It
  43 # also provides the INSTALL file for the tarball.
  44 #
  45 # The webpage is mostly built by Sphinx.  Variable values for Sphinx
  46 # substitutions are configured by CMake (for things like version numbers),
  47 # using gmx_configure_version_file().  This happens during build time instead
  48 # of configure time, because 1) some of the version variables are only
  49 # available during build time, and 2) we don't want to do all the Sphinx setup
  50 # during configuration to save some time when not building the content.
  51 # All of the generated values get put into conf.py (generated from
  52 # conf.cmakein.py).
  53
  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)
  58
  59 set(EXPECTED_DOXYGEN_VERSION 1.8.5)
  60
  61 set(EXPECTED_SPHINX_VERSION 1.6.1)
  62
  63 # By default, suppress output after first configuration.
  64 if(SPHINX_ALREADY_SEARCHED)
  65     set(Sphinx_FIND_QUIETLY ON)
  66 endif()
  67 find_package(Sphinx ${EXPECTED_SPHINX_VERSION} COMPONENTS pygments)
  68 set(SPHINX_ALREADY_SEARCHED TRUE CACHE BOOL "True if a search for Sphinx has already been done")
  69 mark_as_advanced(SPHINX_ALREADY_SEARCHED)
  70
  71 # Even if we aren't going to make the full webpage, set up to put all
  72 # the documentation output in the same place, for convenience
  73 set(HTML_OUTPUT_DIR "${CMAKE_CURRENT_BINARY_DIR}/html")
  74 file(MAKE_DIRECTORY ${HTML_OUTPUT_DIR})
  75
  76 # Prepare directories for pdf/tex output
  77 set(TEX_OUTPUT_DIR "${CMAKE_CURRENT_BINARY_DIR}/manual")
  78 set(SPHINX_LATEX_FILE "${TEX_OUTPUT_DIR}/gromacs.tex")
  79 file(MAKE_DIRECTORY ${TEX_OUTPUT_DIR})
  80
  81 # The directory from which man pages will be installed; if it remains
  82 # empty, they will be silently skipped.
  83 set(MAN_PAGE_DIR)
  84 if (SOURCE_IS_SOURCE_DISTRIBUTION)
  85     # When building from the tarball, install the bundled man pages
  86     # (unless overridden).
  87     set(MAN_PAGE_DIR ${CMAKE_CURRENT_SOURCE_DIR})
  88 endif()
  89
  90 add_subdirectory(doxygen)
  91
  92 # TODO: Consider whether this could just be replaced by using
  93 # GMX_DEVELOPER_BUILD to control this as well.
  94 option(GMX_BUILD_MANUAL "Whether to try to configure to build the PDF manual" OFF)
  95 mark_as_advanced(GMX_BUILD_MANUAL)
  96
  97 set(MANUAL_BUILD_IS_POSSIBLE ON)
  98 set(MANUAL_BUILD_NOT_POSSIBLE_REASON)
  99 set(NO_IMAGE_CONVERT_REASON)
 100 if (NOT GMX_BUILD_MANUAL)
 101     # Make sure we only do detection of manual-building dependencies
 102     # when the user opted in for that.
 103     set(MANUAL_BUILD_IS_POSSIBLE OFF)
 104     set(MANUAL_BUILD_NOT_POSSIBLE_REASON "GMX_BUILD_MANUAL is not ON")
 105 elseif (BUILD_IS_INSOURCE)
 106     # UseLATEX.cmake does not work with an in-source build
 107     set(MANUAL_BUILD_IS_POSSIBLE OFF)
 108     set(MANUAL_BUILD_NOT_POSSIBLE_REASON "the build is in-source")
 109 else()
 110     include(manual/UseLATEX.cmake)
 111     if(NOT SPHINX_FOUND)
 112         set(MANUAL_BUILD_IS_POSSIBLE OFF)
 113         set(MANUAL_BUILD_NOT_POSSIBLE_REASON "Sphinx has not been found and is needed to create the LaTex input files")
 114     elseif(NOT PDFLATEX_COMPILER)
 115         set(MANUAL_BUILD_IS_POSSIBLE OFF)
 116         set(MANUAL_BUILD_NOT_POSSIBLE_REASON "pdflatex is not available")
 117     elseif(NOT IMAGE_CONVERT_POSSIBLE)
 118         set(MANUAL_BUILD_IS_POSSIBLE OFF)
 119         set(MANUAL_BUILD_NOT_POSSIBLE_REASON "a working form of ImageMagick convert is not available")
 120         set(NO_IMAGE_CONVERT_REASON "Can not convert files for online or pdf manual")
 121         # TODO Later, identify other dependencies like bibtex,
 122         # make_index, date, some graphics conversion program,
 123         # etc. Perhaps patch UseLATEX.cmake and contribute upstream.
 124     endif()
 125
 126 endif()
 127
 128 if (SPHINX_FOUND)
 129     # We need to have all the Sphinx input files in a single directory, and
 130     # since some of them are generated, we copy everything into the build tree,
 131     # to this directory.
 132     set(SPHINX_INPUT_DIR ${CMAKE_CURRENT_BINARY_DIR}/sphinx-input)
 133     set(SPHINX_EXTENSION_PATH ${CMAKE_CURRENT_SOURCE_DIR})
 134     # As the manual build now depends also on Sphinx, the inclusion path needs
 135     # to be set after we know the basic information for Sphinx.
 136     add_subdirectory(manual)
 137     if (SOURCE_MD5SUM STREQUAL "unknown")
 138         # But for testing the webpage build (e.g. from the repo) we
 139         # need a default value.
 140         set(REGRESSIONTEST_MD5SUM_STRING "unknown")
 141     else()
 142         # The real build of the webpage happens from the tarball, and
 143         # this should be set to the matching MD5 sum.
 144         set(REGRESSIONTEST_MD5SUM_STRING "${REGRESSIONTEST_MD5SUM}")
 145     endif()
 146     # The reference manual still contains the individual sections from the
 147     # LaTeX document, with the files below grouped and annotated by chapter.
 148     set(REFERENCEMANUAL_SPHINX_FILES_GENERAL
 149         # Main index file, preface and introduction.
 150         reference-manual/index.rst
 151         reference-manual/preface.rst
 152         reference-manual/introduction.rst
 153         # Definitions and Units chapter
 154         reference-manual/definitions.rst
 155         # Topologies chapter
 156         reference-manual/topologies.rst
 157         reference-manual/topologies/particle-type.rst
 158         reference-manual/topologies/parameter-files.rst
 159         reference-manual/topologies/molecule-definition.rst
 160         reference-manual/topologies/constraint-algorithm-section.rst
 161         reference-manual/topologies/pdb2gmx-input-files.rst
 162         reference-manual/topologies/topology-file-formats.rst
 163         reference-manual/topologies/force-field-organization.rst
 164         # File formats chapter
 165         reference-manual/file-formats.rst
 166         # Run parameters and programs chapter
 167         reference-manual/run-parameters.rst
 168         # Implementation details chapter
 169         reference-manual/details.rst
 170         # Averages and fluctations chapter
 171         reference-manual/averages.rst
 172         # References
 173         reference-manual/references.rst
 174         # PNG formated plot files that don't need to be converted into PNG
 175         # for the web page.
 176         reference-manual/plots/GMX_logos/gmx_falcon_blue.png
 177         reference-manual/plots/adress.png
 178         reference-manual/plots/plotje.png
 179         reference-manual/plots/xvgr.png
 180         )
 181     set(REFERENCEMANUAL_SPHINX_FILES_WITH_IMAGES
 182         # Algorithms chapter
 183         reference-manual/algorithms.rst
 184         reference-manual/algorithms/periodic-boundary-conditions.rst
 185         reference-manual/algorithms/group-concept.rst
 186         reference-manual/algorithms/molecular-dynamics.rst
 187         reference-manual/algorithms/shell-molecular-dynamics.rst
 188         reference-manual/algorithms/constraint-algorithms.rst
 189         reference-manual/algorithms/simulated-annealing.rst
 190         reference-manual/algorithms/stochastic-dynamics.rst
 191         reference-manual/algorithms/brownian-dynamics.rst
 192         reference-manual/algorithms/energy-minimization.rst
 193         reference-manual/algorithms/normal-mode-analysis.rst
 194         reference-manual/algorithms/free-energy-calculations.rst
 195         reference-manual/algorithms/replica-exchange.rst
 196         reference-manual/algorithms/essential-dynamics.rst
 197         reference-manual/algorithms/expanded-ensemble.rst
 198         reference-manual/algorithms/parallelization-domain-decomp.rst
 199         # Interaction functions and force fields chapter
 200         reference-manual/functions.rst
 201         reference-manual/functions/bonded-interactions.rst
 202         reference-manual/functions/force-field.rst
 203         reference-manual/functions/free-energy-interactions.rst
 204         reference-manual/functions/interaction-methods.rst
 205         reference-manual/functions/long-range-electrostatics.rst
 206         reference-manual/functions/long-range-vdw.rst
 207         reference-manual/functions/nonbonded-interactions.rst
 208         reference-manual/functions/polarization.rst
 209         reference-manual/functions/restraints.rst
 210         # Special topics chapter
 211         reference-manual/special.rst
 212         reference-manual/special/free-energy-implementation.rst
 213         reference-manual/special/pulling.rst
 214         reference-manual/special/awh.rst
 215         reference-manual/special/enforced-rotation.rst
 216         reference-manual/special/electric-fields.rst
 217         reference-manual/special/comp-electrophys.rst
 218         reference-manual/special/free-energy-pmf.rst
 219         reference-manual/special/remove-fast-dgf.rst
 220         reference-manual/special/viscosity-calculation.rst
 221         reference-manual/special/tabulated-interaction-functions.rst
 222         reference-manual/special/qmmm.rst
 223         reference-manual/special/vmd-imd.rst
 224         reference-manual/special/membrane-embedding.rst
 225         reference-manual/special/mimic-qmmm.rst
 226         reference-manual/special/density-guided-simulation.rst
 227         # Analysis chapter
 228         reference-manual/analysis.rst
 229         reference-manual/analysis/using-groups.rst
 230         reference-manual/analysis/looking-at-trajectory.rst
 231         reference-manual/analysis/general-properties.rst
 232         reference-manual/analysis/radial-distribution-function.rst
 233         reference-manual/analysis/correlation-function.rst
 234         reference-manual/analysis/curve-fitting.rst
 235         reference-manual/analysis/mean-square-displacement.rst
 236         reference-manual/analysis/bond-angle-dihedral.rst
 237         reference-manual/analysis/radius-of-gyration.rst
 238         reference-manual/analysis/rmsd.rst
 239         reference-manual/analysis/covariance-analysis.rst
 240         reference-manual/analysis/dihedral-pca.rst
 241         reference-manual/analysis/hydrogen-bonds.rst
 242         reference-manual/analysis/protein-related.rst
 243         reference-manual/analysis/interface-related.rst)
 244     # The image files have also been ordered by the respective
 245     # chapter they are included in in the reference manual
 246     set(REFERENCEMANUAL_IMAGE_FILES
 247         # General folder
 248         reference-manual/plots/decomp.pdf
 249         reference-manual/plots/dih.pdf
 250         reference-manual/plots/drift-all.pdf
 251         reference-manual/plots/f-angle.pdf
 252         reference-manual/plots/f-bond.pdf
 253         reference-manual/plots/fp-highres.pdf
 254         reference-manual/plots/int-mat.pdf
 255         reference-manual/plots/mdpar.pdf
 256         reference-manual/plots/parsort.pdf
 257         reference-manual/plots/ring.pdf
 258         reference-manual/plots/shiftf.pdf
 259         # Algorithms chapter
 260         reference-manual/algorithms/plots/dd-cells.pdf
 261         reference-manual/algorithms/plots/dd-tric.pdf
 262         reference-manual/algorithms/plots/flowchart.pdf
 263         reference-manual/algorithms/plots/free1.pdf
 264         reference-manual/algorithms/plots/free2.pdf
 265         reference-manual/algorithms/plots/leapfrog.pdf
 266         reference-manual/algorithms/plots/lincs.pdf
 267         reference-manual/algorithms/plots/maxwell.pdf
 268         reference-manual/algorithms/plots/mpmd-pme.pdf
 269         reference-manual/algorithms/plots/nstric.pdf
 270         reference-manual/algorithms/plots/par-lincs2.pdf
 271         reference-manual/algorithms/plots/pbctric.pdf
 272         reference-manual/algorithms/plots/rhododec.pdf
 273         reference-manual/algorithms/plots/truncoct.pdf
 274         reference-manual/algorithms/plots/verlet-drift.pdf
 275         # Interaction functions chapter
 276         reference-manual/functions/plots/angle.pdf
 277         reference-manual/functions/plots/bstretch.pdf
 278         reference-manual/functions/plots/chain.pdf
 279         reference-manual/functions/plots/dummies.pdf
 280         reference-manual/functions/plots/f-bham.pdf
 281         reference-manual/functions/plots/fbposres.pdf
 282         reference-manual/functions/plots/f-dih.pdf
 283         reference-manual/functions/plots/f-dr.pdf
 284         reference-manual/functions/plots/fig-02.pdf
 285         reference-manual/functions/plots/fig-04.pdf
 286         reference-manual/functions/plots/f-imps.pdf
 287         reference-manual/functions/plots/f-lj.pdf
 288         reference-manual/functions/plots/f-morse.pdf
 289         reference-manual/functions/plots/f-pr.pdf
 290         reference-manual/functions/plots/f-rbs.pdf
 291         reference-manual/functions/plots/ring-imp.pdf
 292         reference-manual/functions/plots/softcore.pdf
 293         reference-manual/functions/plots/gapsys-sc.pdf
 294         reference-manual/functions/plots/subst-im.pdf
 295         reference-manual/functions/plots/tetra-im.pdf
 296         reference-manual/functions/plots/vcrf.pdf
 297         reference-manual/functions/plots/vsite-4fdn.pdf
 298         # Special topics chapter
 299         reference-manual/special/plots/awh-invN.pdf
 300         reference-manual/special/plots/awh-pmfs.pdf
 301         reference-manual/special/plots/awh-sampleweights.pdf
 302         reference-manual/special/plots/awh-traj.pdf
 303         reference-manual/special/plots/compelsetup.pdf
 304         reference-manual/special/plots/dumaro.pdf
 305         reference-manual/special/plots/dumtypes.pdf
 306         reference-manual/special/plots/equipotential.pdf
 307         reference-manual/special/plots/field.pdf
 308         reference-manual/special/plots/gaussians.pdf
 309         reference-manual/special/plots/lambda-values.pdf
 310         reference-manual/special/plots/pulldirrel.pdf
 311         reference-manual/special/plots/pull.pdf
 312         reference-manual/special/plots/pullref.pdf
 313         reference-manual/special/plots/rotation.pdf
 314         # Analysis chapter
 315         reference-manual/analysis/plots/dih-def.pdf
 316         reference-manual/analysis/plots/distm.pdf
 317         reference-manual/analysis/plots/dssp.pdf
 318         reference-manual/analysis/plots/hbond-insert.pdf
 319         reference-manual/analysis/plots/hbond.pdf
 320         reference-manual/analysis/plots/hpr-wheel.pdf
 321         reference-manual/analysis/plots/msdwater.pdf
 322         reference-manual/analysis/plots/ngmxdump.pdf
 323         reference-manual/analysis/plots/phipsi.pdf
 324         reference-manual/analysis/plots/rama.pdf
 325         reference-manual/analysis/plots/rdfO-O.pdf
 326         reference-manual/analysis/plots/rdf.pdf
 327         reference-manual/analysis/plots/sgangle.pdf
 328         )
 329     set(SPHINX_SOURCE_FILES
 330         index.rst
 331         download.rst
 332         links.dat
 333         dev-manual/build-system.rst
 334         dev-manual/change-management.rst
 335         dev-manual/commitstyle.rst
 336         dev-manual/containers.rst
 337         dev-manual/documentation-generation.rst
 338         dev-manual/contribute.rst
 339         dev-manual/doxygen.rst
 340         dev-manual/error-handling.rst
 341         dev-manual/formatting.rst
 342         dev-manual/gitlab-ci.rst
 343         dev-manual/gmxtree.rst
 344         dev-manual/includestyle.rst
 345         dev-manual/index.rst
 346         dev-manual/infrastructure.rst
 347         dev-manual/jenkins.rst
 348         dev-manual/known-issues.rst
 349         dev-manual/language-features.rst
 350         dev-manual/naming.rst
 351         dev-manual/overview.rst
 352         dev-manual/physical_validation.rst
 353         dev-manual/redmine-states.png
 354         dev-manual/relocatable-binaries.rst
 355         dev-manual/reportstyle.rst
 356         dev-manual/style.rst
 357         dev-manual/testutils.rst
 358         dev-manual/tools.rst
 359         dev-manual/code-formatting.rst
 360         fragments/doxygen-links.rst
 361         how-to/index.rst
 362         how-to/beginners.rst
 363         how-to/topology.rst
 364         how-to/special.rst
 365         how-to/visualize.rst
 366         install-guide/index.rst
 367         release-notes/index.rst
 368         release-notes/2022/major/highlights.rst
 369         release-notes/2022/major/features.rst
 370         release-notes/2022/major/performance.rst
 371         release-notes/2022/major/tools.rst
 372         release-notes/2022/major/bugs-fixed.rst
 373         release-notes/2022/major/removed-functionality.rst
 374         release-notes/2022/major/deprecated-functionality.rst
 375         release-notes/2022/major/portability.rst
 376         release-notes/2022/major/miscellaneous.rst
 377         release-notes/2022/major/api.rst
 378         release-notes/2021/2021.4.rst
 379         release-notes/2021/2021.3.rst
 380         release-notes/2021/2021.2.rst
 381         release-notes/2021/2021.1.rst
 382         release-notes/2021/major/highlights.rst
 383         release-notes/2021/major/features.rst
 384         release-notes/2021/major/performance.rst
 385         release-notes/2021/major/tools.rst
 386         release-notes/2021/major/bugs-fixed.rst
 387         release-notes/2021/major/removed-functionality.rst
 388         release-notes/2021/major/deprecated-functionality.rst
 389         release-notes/2021/major/portability.rst
 390         release-notes/2021/major/miscellaneous.rst
 391         release-notes/2020/2020.1.rst
 392         release-notes/2020/2020.2.rst
 393         release-notes/2020/2020.3.rst
 394         release-notes/2020/2020.4.rst
 395         release-notes/2020/2020.5.rst
 396         release-notes/2020/2020.6.rst
 397         release-notes/2020/major/highlights.rst
 398         release-notes/2020/major/features.rst
 399         release-notes/2020/major/performance.rst
 400         release-notes/2020/major/tools.rst
 401         release-notes/2020/major/bugs-fixed.rst
 402         release-notes/2020/major/removed-functionality.rst
 403         release-notes/2020/major/deprecated-functionality.rst
 404         release-notes/2020/major/portability.rst
 405         release-notes/2020/major/miscellaneous.rst
 406         release-notes/2019/2019.6.rst
 407         release-notes/2019/2019.5.rst
 408         release-notes/2019/2019.4.rst
 409         release-notes/2019/2019.3.rst
 410         release-notes/2019/2019.2.rst
 411         release-notes/2019/2019.1.rst
 412         release-notes/2019/major/highlights.rst
 413         release-notes/2019/major/features.rst
 414         release-notes/2019/major/performance.rst
 415         release-notes/2019/major/tools.rst
 416         release-notes/2019/major/bugs-fixed.rst
 417         release-notes/2019/major/removed-functionality.rst
 418         release-notes/2019/major/deprecated-functionality.rst
 419         release-notes/2019/major/portability.rst
 420         release-notes/2019/major/miscellaneous.rst
 421         release-notes/2018/2018.7.rst
 422         release-notes/2018/2018.6.rst
 423         release-notes/2018/2018.5.rst
 424         release-notes/2018/2018.4.rst
 425         release-notes/2018/2018.3.rst
 426         release-notes/2018/2018.2.rst
 427         release-notes/2018/2018.1.rst
 428         release-notes/2018/major/highlights.rst
 429         release-notes/2018/major/features.rst
 430         release-notes/2018/major/performance.rst
 431         release-notes/2018/major/tools.rst
 432         release-notes/2018/major/bugs-fixed.rst
 433         release-notes/2018/major/removed-features.rst
 434         release-notes/2018/major/portability.rst
 435         release-notes/2018/major/miscellaneous.rst
 436         release-notes/2016/2016.5.rst
 437         release-notes/2016/2016.4.rst
 438         release-notes/2016/2016.3.rst
 439         release-notes/2016/2016.2.rst
 440         release-notes/2016/2016.1.rst
 441         release-notes/2016/major/highlights.rst
 442         release-notes/2016/major/new-features.rst
 443         release-notes/2016/major/performance.rst
 444         release-notes/2016/major/tools.rst
 445         release-notes/2016/major/bugs-fixed.rst
 446         release-notes/2016/major/removed-features.rst
 447         release-notes/2016/major/miscellaneous.rst
 448         release-notes/older/index.rst
 449         # the entry for user-guide/index.rst should not appear here,
 450         # as it will be included conditionally further down depending on
 451         # if the documentation will be build with the full reference
 452         # manual or without.
 453         user-guide/cmdline.rst
 454         user-guide/deprecation-policy.rst
 455         user-guide/environment-variables.rst
 456         user-guide/faq.rst
 457         user-guide/floating-point.rst
 458         user-guide/flow.rst
 459         user-guide/force-fields.rst
 460         user-guide/getting-started.rst
 461         user-guide/index.rst
 462         user-guide/known-issues.rst
 463         user-guide/managing-simulations.rst
 464         user-guide/mdp-options.rst
 465         user-guide/mdrun-features.rst
 466         user-guide/mdrun-performance.rst
 467         user-guide/run-time-errors.rst
 468         user-guide/security.rst
 469         user-guide/system-preparation.rst
 470         user-guide/terminology.rst
 471         )
 472
 473     include(SphinxMacros.cmake)
 474     gmx_init_sphinx_setup(${SPHINX_INPUT_DIR})
 475
 476     # set temporary variables for doi inclusion
 477     # into the manual, plain string + some wrapping
 478     # for release builds, and dummy string for non-release
 479     # builds
 480     if("${GMX_MANUAL_DOI}" STREQUAL "")
 481       # empty string means no doi, set dummy text
 482       set(GMX_MANUAL_DOI_STRING "This is not a release build of GROMACS, so please reference")
 483       set(GMX_MANUAL_DOI_STRING "${GMX_MANUAL_DOI_STRING} one of the GROMACS papers and the base release of the manual.")
 484     else()
 485       # release version, set plain old boring string
 486       set(GMX_MANUAL_DOI_STRING "Please reference this documentation as https://doi.org/${GMX_MANUAL_DOI}.")
 487     endif()
 488     # same for source doi, but modify the text
 489     if("${GMX_SOURCE_DOI}" STREQUAL "")
 490       # empty string means no release build
 491       set(GMX_SOURCE_DOI_STRING "This is not a release build of GROMACS. Please reference one of the")
 492       set(GMX_SOURCE_DOI_STRING "${GMX_SOURCE_DOI_STRING} GROMACS papers, as well as the base release that this version is built from.")
 493       set(GMX_SOURCE_DOI_STRING "${GMX_SOURCE_DOI_STRING} Also, please state what modifcations have been performed or where the version")
 494       set(GMX_SOURCE_DOI_STRING "${GMX_SOURCE_DOI_STRING} was sourced from.")
 495     else()
 496       # release version, give them a doi url string
 497       set(GMX_SOURCE_DOI_STRING "To cite the source code for this release, please cite")
 498       set(GMX_SOURCE_DOI_STRING "${GMX_SOURCE_DOI_STRING} https://doi.org/${GMX_SOURCE_DOI}.")
 499     endif()
 500
 501     if(IMAGE_CONVERT_POSSIBLE)
 502         set(IMAGE_CONVERT_STRING "possible")
 503     else()
 504         set(IMAGE_CONVERT_STRING "impossible")
 505     endif()
 506
 507     set(SPHINX_CONFIG_FILE ${SPHINX_INPUT_DIR}/conf.py)
 508     if (GMX_PYTHON_PACKAGE)
 509         set(GMXAPI_PYTHON_STAGING_DIR ${CMAKE_BINARY_DIR}/python_packaging/src/gmxapi_staging)
 510         # TODO: Resolve circular reference. We would like to get the CMake build-time directory for
 511         # the gmxapi Python package from the _gmxapi target, as we do when building sample_restraint.
 512         # Instead of the above hard-coded path, how can we do
 513         # get_target_property(GMXAPI_PYTHON_STAGING_DIR _gmxapi staging_dir)
 514         # in this context?
 515     endif ()
 516
 517     gmx_configure_version_file(
 518         conf.cmakein.py ${SPHINX_CONFIG_FILE}
 519         EXTRA_VARS
 520             CMAKE_MINIMUM_REQUIRED_VERSION
 521             EXPECTED_DOXYGEN_VERSION
 522             EXPECTED_SPHINX_VERSION
 523             GMX_ADMIN_DIR
 524             GMX_LMFIT_REQUIRED_VERSION
 525             GMX_MANUAL_DOI_STRING
 526             GMX_TNG_MINIMUM_REQUIRED_VERSION
 527             GMX_SOURCE_DOI_STRING
 528             GMXAPI_PYTHON_STAGING_DIR
 529             IMAGE_CONVERT_STRING
 530             REGRESSIONTEST_VERSION
 531             REQUIRED_CUDA_COMPUTE_CAPABILITY
 532             REQUIRED_CUDA_VERSION
 533             REQUIRED_OPENCL_MIN_VERSION
 534             REGRESSIONTEST_MD5SUM_STRING
 535             RELENG_PATH
 536             SOURCE_MD5SUM
 537             SPHINX_EXTENSION_PATH
 538         COMMENT "Configuring Sphinx configuration file")
 539     gmx_add_sphinx_input_file(${SPHINX_CONFIG_FILE})
 540     gmx_add_sphinx_source_files(FILES ${SPHINX_SOURCE_FILES})
 541     if (EXISTS ${RELENG_PATH}/docs/FileList.cmake)
 542         include(${RELENG_PATH}/docs/FileList.cmake)
 543         gmx_add_sphinx_source_files(
 544             FROM ${RELENG_PATH}/docs TO dev-manual/releng PREFIX releng/docs/
 545             FILES ${RELENG_SPHINX_FILES})
 546     else()
 547         gmx_add_sphinx_source_files(FILES
 548             dev-manual/releng/index.rst
 549             )
 550     endif()
 551
 552     gmx_add_sphinx_source_files(
 553             FILES
 554             gmxapi/index.rst
 555             gmxapi/userguide/install.rst
 556             gmxapi/userguide/usage.rst
 557             gmxapi/userguide/userguide.rst
 558     )
 559
 560     if (GMX_PYTHON_PACKAGE)
 561         gmx_add_sphinx_source_files(
 562             FILES
 563             gmxapi/userguide/pythonreference.rst
 564             )
 565     else()
 566         gmx_add_sphinx_source_files(
 567             FROM ${CMAKE_CURRENT_SOURCE_DIR}/gmxapi/userguide-stub
 568             TO gmxapi/userguide/
 569             FILES pythonreference.rst
 570             )
 571     endif ()
 572
 573     gmx_add_sphinx_source_files(
 574             FILES
 575             nblib/index.rst
 576             nblib/guide-to-writing-MD-programs.rst
 577     )
 578
 579     gmx_add_sphinx_source_files(
 580         FILES
 581         ${REFERENCEMANUAL_SPHINX_FILES_GENERAL})
 582     if (IMAGE_CONVERT_POSSIBLE)
 583         gmx_add_sphinx_source_files(
 584             FILES
 585             ${REFERENCEMANUAL_SPHINX_FILES_WITH_IMAGES}
 586             ${REFERENCEMANUAL_IMAGE_FILES})
 587         gmx_add_sphinx_image_conversion_files(
 588             FILES
 589             ${REFERENCEMANUAL_IMAGE_FILES})
 590     endif()
 591     gmx_add_sphinx_input_target(sphinx-input-rst)
 592     gmx_add_sphinx_image_conversion_target(sphinx-image-conversion)
 593     add_custom_target(sphinx-input)
 594     add_dependencies(sphinx-input sphinx-input-rst sphinx-image-conversion)
 595     if (GMX_PYTHON_PACKAGE)
 596         add_dependencies(sphinx-input _gmxapi)
 597     endif()
 598     # Remove other rst files from the build tree, since they confuse Sphinx.
 599     # Skip generated files in onlinehelp/, and fragments.
 600     # The latter do not cause issues with obsolete files, as they
 601     # are not considered as Sphinx input files, but will only be
 602     # included using an explicit .. include::.
 603     gmx_remove_obsolete_sphinx_input_files("^(onlinehelp|fragments)/.*\\\\.rst$")
 604
 605     # TODO: Make this remove obsolete .rst files.
 606     # TODO: This does not work in cross-compilation scenarios; disable up to
 607     # the necessary level.
 608     gmx_add_custom_output_target(sphinx-programs OUTPUT STAMP
 609         COMMAND ${CMAKE_COMMAND} -E make_directory onlinehelp
 610         COMMAND gmx -quiet help -export rst
 611         DEPENDS gmx
 612         WORKING_DIRECTORY ${SPHINX_INPUT_DIR}
 613         COMMENT "Generating reStructuredText help")
 614     # This dependency ensures that the directories exist before the
 615     # executable tries to write things there.
 616     add_dependencies(sphinx-programs sphinx-input)
 617
 618     # Make the INSTALL file for CPack for the tarball. This gets put
 619     # into the tarball via the CPack rules below, which requires that
 620     # the INSTALL file is in a separate directory by itself.
 621     set(TEXT_INSTALL_GUIDE_OUTPUT_DIR "install-guide/text")
 622     add_custom_target(install-guide
 623         COMMAND
 624             ${SPHINX_EXECUTABLE}
 625             -q -b text
 626             -w sphinx-install.log
 627             -d ${CMAKE_CURRENT_BINARY_DIR}/install-guide/_doctrees
 628             -c ${SPHINX_INPUT_DIR}
 629             "${SPHINX_INPUT_DIR}/install-guide"
 630             "${TEXT_INSTALL_GUIDE_OUTPUT_DIR}"
 631         COMMAND
 632             ${CMAKE_COMMAND} -E rename
 633             ${TEXT_INSTALL_GUIDE_OUTPUT_DIR}/index.txt
 634             ${TEXT_INSTALL_GUIDE_OUTPUT_DIR}/INSTALL
 635         WORKING_DIRECTORY
 636             ${CMAKE_CURRENT_BINARY_DIR}
 637         COMMENT "Building INSTALL with Sphinx"
 638         VERBATIM
 639         )
 640     add_dependencies(install-guide sphinx-input)
 641     gmx_cpack_add_generated_source_directory(install-guide/text DESTINATION /)
 642
 643     # Sphinx cache with pickled ReST documents
 644     set(SPHINX_CACHE_DIR "${CMAKE_CURRENT_BINARY_DIR}/_doctrees")
 645     set(SPHINX_CONFIG_OVERRIDES "")
 646     if (GMX_DEVELOPER_BUILD)
 647         set(SPHINX_CONFIG_OVERRIDES "-Dtodo_include_todos=1")
 648     endif()
 649     add_custom_target(webpage-sphinx
 650         DEPENDS sphinx-programs
 651         DEPENDS sphinx-input
 652         DEPENDS sphinx-image-conversion
 653         DEPENDS manual
 654         COMMAND
 655             ${CMAKE_COMMAND} -E make_directory ${SPHINX_INPUT_DIR}/_static
 656         COMMAND
 657             ${SPHINX_EXECUTABLE}
 658             -q -b html
 659             -w sphinx-html.log
 660             -d "${SPHINX_CACHE_DIR}"
 661             ${SPHINX_CONFIG_OVERRIDES}
 662             "${SPHINX_INPUT_DIR}"
 663             "${HTML_OUTPUT_DIR}"
 664         WORKING_DIRECTORY
 665             ${CMAKE_CURRENT_BINARY_DIR}
 666         COMMENT "Building HTML documentation with Sphinx"
 667         VERBATIM
 668         )
 669
 670     add_custom_target(man
 671         COMMAND
 672             ${SPHINX_EXECUTABLE}
 673             -q -b man
 674             -w sphinx-man.log
 675             -d ${SPHINX_CACHE_DIR}
 676             -t do_man
 677             ${SPHINX_INPUT_DIR}
 678             ${CMAKE_CURRENT_BINARY_DIR}/man
 679         COMMENT "Building man pages with Sphinx"
 680         VERBATIM)
 681     add_dependencies(man sphinx-input sphinx-programs)
 682     if (GMX_BUILD_HELP)
 683         # If requested, install the man pages built by the 'man' target
 684         # created above.  Nothing will be installed if the user did not
 685         # manually build the target.
 686         set(MAN_PAGE_DIR ${CMAKE_CURRENT_BINARY_DIR})
 687     endif()
 688
 689 else()
 690     set(MANUAL_BUILD_IS_POSSIBLE OFF)
 691     set(MANUAL_BUILD_NOT_POSSIBLE_REASON "Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is not available")
 692
 693     add_custom_target(webpage-sphinx
 694         COMMAND ${CMAKE_COMMAND} -E echo
 695             "HTML pages cannot be built because Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is not available"
 696         VERBATIM)
 697     add_custom_target(install-guide
 698         COMMAND ${CMAKE_COMMAND} -E echo
 699             "INSTALL cannot be built because Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is not available"
 700         VERBATIM)
 701     add_custom_target(man
 702         COMMAND ${CMAKE_COMMAND} -E echo
 703             "man pages cannot be built because Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is not available"
 704         VERBATIM)
 705     add_custom_target(sphinx-create-texman
 706         COMMAND ${CMAKE_COMMAND} -E echo
 707             "Cannot prepare LaTeX input files because Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is not available"
 708         VERBATIM)
 709     add_custom_target(manual
 710         COMMAND ${CMAKE_COMMAND} -E echo
 711             "manual cannot be built because Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is not available")
 712 endif()
 713
 714 if (MAN_PAGE_DIR)
 715     set(MAN_PAGE_DIR ${MAN_PAGE_DIR}/man)
 716     # Trailing slash on directory is significant for
 717     # install(DIRECTORY). See CMake docs.
 718     install(DIRECTORY ${MAN_PAGE_DIR}/
 719         DESTINATION ${CMAKE_INSTALL_MANDIR}/man1
 720         COMPONENT man OPTIONAL
 721         FILES_MATCHING PATTERN "*.1")
 722 endif()
 723 gmx_cpack_add_generated_source_directory(man)
 724
 725 # Determine whether we can build all the HTML pages and content linked from
 726 # there.  If not, construct an informative message if the user tries to
 727 # build the target; most people never need to know, unless they've asked for
 728 # the webpage build.
 729 set(HTML_BUILD_IS_POSSIBLE ON)
 730 set(HTML_BUILD_NOT_POSSIBLE_REASON)
 731 set(HTML_BUILD_WARNINGS)
 732
 733 # Next, turn it off if any of the preconditions are unsatisified
 734 if (NOT Python3_Interpreter_FOUND)
 735     set(HTML_BUILD_IS_POSSIBLE OFF)
 736     set(HTML_BUILD_NOT_POSSIBLE_REASON "Python is required")
 737 elseif (NOT SPHINX_FOUND)
 738     # Hardly anything gets built if Sphinx is not available, so don't bother.
 739     set(HTML_BUILD_IS_POSSIBLE OFF)
 740     set(HTML_BUILD_NOT_POSSIBLE_REASON "Sphinx expected minimum version ${EXPECTED_SPHINX_VERSION} is required")
 741 endif()
 742 if (NOT MANUAL_BUILD_IS_POSSIBLE)
 743     list(APPEND HTML_BUILD_WARNINGS
 744          "Reference PDF manual was not built, so links to it do not work")
 745 endif()
 746 if (NOT DOXYGEN_EXECUTABLE)
 747     list(APPEND HTML_BUILD_WARNINGS
 748         "Doxygen was not available, so links to Doxygen do not work")
 749 endif()
 750 if (NOT DOXYGEN_DOT_EXECUTABLE)
 751     list(APPEND HTML_BUILD_WARNINGS
 752         "dot/graphviz was not found, so some graphs are missing")
 753 endif()
 754
 755 if (HTML_BUILD_IS_POSSIBLE)
 756     set(_webpage_target_properties)
 757     if (HTML_BUILD_WARNINGS)
 758         list(APPEND _webpage_target_properties
 759              COMMAND ${CMAKE_COMMAND} -E echo
 760                  "webpage was built, but with the following limitations:")
 761         foreach(_warning ${HTML_BUILD_WARNINGS})
 762         list(APPEND _webpage_target_properties
 763              COMMAND ${CMAKE_COMMAND} -E echo " - ${_warning}")
 764         endforeach()
 765     endif()
 766
 767     if (MANUAL_BUILD_IS_POSSIBLE)
 768         # Make the PDF reference guide
 769         # TODO Try to make the PDF arrive directly in ${HTML_OUTPUT_DIR}
 770         # TODO Make this depend on the output of the manual build, so that the
 771         # file actually gets copied multiple times.
 772         set(_manual_target_location ${HTML_OUTPUT_DIR}/manual-${GMX_VERSION_STRING}.pdf)
 773         add_custom_command(
 774             OUTPUT ${_manual_target_location}
 775             COMMAND ${CMAKE_COMMAND}
 776                 -E remove -f ${_manual_target_location}
 777             COMMAND ${CMAKE_COMMAND}
 778                 -E copy ${CMAKE_CURRENT_BINARY_DIR}/manual/gromacs.pdf ${_manual_target_location}
 779             DEPENDS manual
 780             VERBATIM)
 781         list(APPEND _webpage_target_properties
 782              DEPENDS ${_manual_target_location})
 783     endif()
 784
 785     # The Doxygen configuration in doxygen/Doxyfile-common.cmakein
 786     # makes all the Doxygen output directly in
 787     # ${HTML_OUTPUT_DIR}/doxygen (and makes the directory if it needs
 788     # to).
 789
 790     # Add a top-level target that builds everything related to the webpage,
 791     # for CI (and possibly others) to use
 792     add_custom_target(webpage ${_webpage_target_properties}
 793         COMMENT "Building webpage"
 794         VERBATIM)
 795     add_dependencies(webpage webpage-sphinx doxygen-all)
 796 else()
 797     add_custom_target(webpage
 798         COMMAND ${CMAKE_COMMAND} -E echo
 799             "Cannot build webpage because ${HTML_BUILD_NOT_POSSIBLE_REASON}"
 800         COMMENT "Webpage build not possible"
 801         VERBATIM)
 802 endif()