cmake: drop WITH_GMX in cmake in favor of auto-detect

.gitlab-ci.yml

@@ -40,7 +40,7 @@ stages:
       -DBUILD_OWN_GROMACS=${BUILD_GROMACS} ${BUILD_GROMACS:+-DENABLE_WARNING_FLAGS=OFF}
       -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install}
       ${MINIMAL:+-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=ON -DCMAKE_DISABLE_FIND_PACKAGE_FFTW3=ON
-      -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON -DBUILD_MANPAGES=OFF -DWITH_GMX=OFF -DBUILD_XTP=OFF -DENABLE_REGRESSION_TESTING=OFF}
+      -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON -DBUILD_MANPAGES=OFF -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=ON -DBUILD_XTP=OFF -DENABLE_REGRESSION_TESTING=OFF}
     - cmake --build . -- -j2
     - ctest --output-on-failure
     - test -z "${MODULE_BUILD}" && DESTDIR=${PWD}/install cmake --build . --target install && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install

CHANGELOG.md

@@ -9,6 +9,7 @@ For more detailed information about the changes see the history of the
 * update boundary class (#457)
 * fix usage of PROJECT_SOURCE_DIR in cmake (#517)
 * document cmake options and packages (#520)
+* drop WITH_GMX in cmake in favor of auto-detect (#523)
 
 ## Version 1.6.1 (released XX.04.20)
 * add support for cma-3 (#158) 

CMakeLists.txt

@@ -83,18 +83,14 @@ if(DEFINED VOTCA_TOOLS_VERSION AND NOT VOTCA_TOOLS_VERSION STREQUAL PROJECT_VERS
   message(FATAL_ERROR "Incompatible VOTCA Tools version found (needed ${PROJECT_VERSION}, found ${VOTCA_TOOLS_VERSION})")
 endif()
 
-option(WITH_GMX "Build gromacs reader/writer, disabling leads to reduced functionality!" ON)
-add_feature_info(WITH_GMX WITH_GMX "Enable gromacs file readers/writers")
-if (WITH_GMX)
-  find_package(GROMACS 2021 QUIET CONFIG NAMES gromacs gromacs_d)
-  set_package_properties(GROMACS PROPERTIES TYPE RECOMMENDED PURPOSE "Used to read gromacs data files")
-  if(NOT GROMACS_FOUND)
-    find_package(GROMACS 2016 REQUIRED MODULE)
-  endif()
-  if(DEFINED GROMACS_VERSION AND GROMACS_VERSION VERSION_GREATER_EQUAL "2020")
-    message(WARNING "Gromacs-2020 and above have no support for tabulated interactions, that are needed for coarse-graining (see and comment on https://gitlab.com/gromacs/gromacs/-/issues/1347)")
-  endif()
-endif(WITH_GMX) 
+find_package(GROMACS 2021 QUIET CONFIG NAMES gromacs gromacs_d)
+set_package_properties(GROMACS PROPERTIES TYPE RECOMMENDED PURPOSE "Used to read/write gromacs data files")
+if(NOT GROMACS_FOUND)
+  find_package(GROMACS 2016 MODULE)
+endif()
+if(GROMACS_FOUND AND DEFINED GROMACS_VERSION AND GROMACS_VERSION VERSION_GREATER_EQUAL "2020")
+  message(WARNING "Gromacs-2020 and above have no support for tabulated interactions, that are needed for coarse-graining (see and comment on https://gitlab.com/gromacs/gromacs/-/issues/1347)")
+endif()
 
 find_program(GMX_EXECUTABLE gmx_d gmx)
 find_package_handle_standard_args(GMX REQUIRED_VARS GMX_EXECUTABLE)

CMakeModules/FindTXT2TAGS.cmake

@@ -53,7 +53,7 @@ INCLUDE(FindPackageHandleStandardArgs)
 FIND_PACKAGE_HANDLE_STANDARD_ARGS(TXT2TAGS DEFAULT_MSG TXT2TAGS_EXECUTABLE)
 
 IF(NOT TXT2TAGS_FOUND)
-  message("txt2tags not found, help cmake to find it by setting TXT2TAGS_EXECUTABLE")
+  message(STATUS "txt2tags not found, help cmake to find it by setting TXT2TAGS_EXECUTABLE")
 ENDIF(NOT TXT2TAGS_FOUND)
 
 MARK_AS_ADVANCED( TXT2TAGS_EXECUTABLE )