Replace XHCFF in build system by libpvol

CMakeLists.txt

@@ -102,10 +102,10 @@ if(NOT TARGET "gfn0::gfn0" AND WITH_GFN0)
    add_compile_definitions(WITH_GFN0)
 endif()
 
-# XHCFF
-if(NOT TARGET "xhcff::xhcff" AND WITH_XHCFF)
-   find_package("xhcff" REQUIRED)
-   add_compile_definitions(WITH_XHCFF)
+# libpvol
+if(NOT TARGET "libpvol::libpvol" AND WITH_LIBPVOL)
+   find_package("libpvol" REQUIRED)
+   add_compile_definitions(WITH_LIBPVOL)
 endif()
 
 # lwONIOM

assets/template/metadata.f90

@@ -9,5 +9,5 @@
 character(len=*),parameter :: gfn0var = "@gfn0var@"
 character(len=*),parameter :: gfnffvar = "@gfnffvar@"
 character(len=*),parameter :: tblitevar = "@tblitevar@"
-character(len=*),parameter :: xhcffvar = "@xhcffvar@"
+character(len=*),parameter :: xhcffvar = "@libpvolvar@"
 character(len=*),parameter :: lwoniomvar = "@lwoniomvar@"

config/CMakeLists.txt

@@ -34,11 +34,12 @@ option(WITH_TBLITE  "Enable support for tblite"   TRUE)
 option(WITH_TOMLF   "Enable support for toml-f"   TRUE)
 option(WITH_GFN0    "Enable support for GFN0-xTB" TRUE)
 option(WITH_GFNFF   "Enable support for GFN-FF"   TRUE)
-option(WITH_XHCFF   "Enable support for XHCFF"    FALSE)
+option(WITH_LIBPVOL "Enable support for LIBPVOL"  FALSE)
 option(WITH_LWONIOM "Enable support for lwONIOM"  TRUE)
 option(WITH_TESTS   "Enable unit tests"           TRUE)
 
-option(STATICBUILD  "Attempt to link everything statically" FALSE) # doesn't work yet
+option(STATICBUILD  "Attempt to link everything statically" FALSE) 
+set(PYTHON_BINDINGS OFF CACHE BOOL "Disable python bindings for submodules that have them" FORCE)
 
 #########################################################################################
 #########################################################################################
@@ -100,7 +101,7 @@ set(tomlfvar "${WITH_TOMLF}")
 set(gfn0var "${WITH_GFN0}")
 set(gfnffvar "${WITH_GFNFF}")
 set(tblitevar "${WITH_TBLITE}")
-set(xhcffvar "${WITH_XHCFF}")
+set(libpvolvar "${WITH_LIBPVOL}")
 set(lwoniomvar "${WITH_LWONIOM}")
 
 configure_file(

config/meson.build

@@ -239,15 +239,15 @@ if get_option('WITH_GFNFF')
 endif
 
 
-# XHCFF
-if get_option('WITH_XHCFF')
- add_project_arguments('-DWITH_XHCFF', language: 'fortran')
- xhcff_dep = dependency(
-   'xhcff',
-   fallback: ['xhcff', 'xhcfflib_dep'],
+# LIBPVOL
+if get_option('WITH_LIBPVOL')
+ add_project_arguments('-DWITH_LIBPVOL', language: 'fortran')
+ libpvol_dep = dependency(
+   'libpvol',
+   fallback: ['libpvol', 'libpvollib_dep'],
    default_options: ['default_library=static'],
  )
- exe_deps += xhcff_dep
+ exe_deps += libpvol_dep
 endif
 
 
@@ -292,7 +292,7 @@ config = configuration_data({
   'gfn0var': get_option('WITH_GFN0'),
   'gfnffvar': get_option('WITH_GFNFF'), 
   'tblitevar': get_option('WITH_TBLITE'),
-  'xhcffvar': get_option('WITH_XHCFF'),
+  'libpvolvar': get_option('WITH_LIBPVOL'),
   'lwoniomvar': get_option('WITH_LWONIOM'),
 })
 

config/modules/Findxhcff.cmake → config/modules/Findlibpvol.cmake

@@ -14,9 +14,9 @@
 # You should have received a copy of the GNU Lesser General Public License
 # along with crest.  If not, see <https://www.gnu.org/licenses/>.
 
-set(_lib "xhcff")
-set(_pkg "XHCFF")
-set(_url "https://github.com/zellerf/xhcff-lib")
+set(_lib "libpvol")
+set(_pkg "LIBPVOL")
+set(_url "https://github.com/neudecker-group/libpvol.git")
 
 if(NOT DEFINED "${_pkg}_FIND_METHOD")
   set("${_pkg}_FIND_METHOD" "subproject" "cmake" "fetch" "pkgconf" )
@@ -27,10 +27,10 @@ include("${CMAKE_CURRENT_LIST_DIR}/crest-utils.cmake")
 crest_find_package("${_lib}" "${${_pkg}_FIND_METHOD}" "${_url}")
 
 set(found FALSE)
-if(TARGET "xhcff::xhcff")
+if(TARGET "libpvol::libpvol")
   set (found TRUE)
 endif()
-message(STATUS "Found xhcff: ${found}")
+message(STATUS "Found libpvol: ${found}")
 
 unset(_lib)
 unset(_pkg)

meson_options.txt

@@ -60,10 +60,10 @@ option(
   description: 'build with toml-f integration',
 )
 option(
-  'WITH_XHCFF',
+  'WITH_LIBPVOL',
   type: 'boolean',
   value: false,
-  description: 'build with XHCFF integration',
+  description: 'build with libpvol integration',
 )
 
 option(