Dear all,<div>My name is Mauro Sgroi and I work at Centro Ricerche FIAT in Italy.</div><div><br></div><div>I'm compiling CP2K version 8.1 on Cygwin using libxc (I've tried with version 4.3.4 and 5.0) and libint (2.6).</div><div><br></div><div>My arch file is:</div><div><div>CC       = mpicc</div><div>CPP      =</div><div>FC       = mpif90</div><div>LD       = mpif90</div><div>AR       = ar -r</div><div><br></div><div>FFTW_INC    = /usr/include</div><div>FFTW_LIB    = /usr/lib</div><div><br></div><div>SPGLIB_INC  = /usr/local/include</div><div>SPGLIB_LIB  = /usr/local/lib</div><div><br></div><div>LIBXC_LIB   = /home/sgroi/apps/libxc/lib</div><div>LIBXC_INC   = /home/sgroi/apps/libxc/include</div><div><br></div><div>LIBINT_LIB  = /usr/local/lib</div><div>LIBINT_INC  = /usr/local/include</div><div><br></div><div>CPPFLAGS =</div><div>CFLAGS   = -O2 -fopenmp -fexceptions</div><div>DFLAGS   = -D__FFTSG -D__SPGLIB -D__FFTW3_UNALIGNED -D__MPI_VERSION=3 -D__LIBXC -D__LIBINT</div><div><br></div><div>FCFLAGS  = $(CFLAGS) -funroll-loops -ftree-vectorize -ffree-form</div><div>FCFLAGS += $(DFLAGS) -std=f2008 -ffree-line-length-none</div><div>FCFLAGS += -I$(FFTW_INC) -I$(SPGLIB_INC) -I$(LIBXC_INC) -I$(LIBINT_INC)</div><div><br></div><div>LDFLAGS  = $(FCFLAGS) -Wl,--image-base -Wl,0x10000000</div><div><br></div><div>LIBS       += $(LIBXC_LIB)/libxcf03.a</div><div>LIBS       += $(LIBXC_LIB)/libxc.a</div><div>LIBS       += -L$(FFTW_LIB) -lfftw3 -lfftw3_threads</div><div>LIBS       += -L$(SPGLIB_LIB) -lsymspg</div><div>LIBS       += /usr/local/lib/libint2.a</div><div>LIBS       += -llapack -lblas -lgfortran</div><div>LIBS       += -ldl -lpthread -lstdc++ -lgsl -lz</div></div><div><br></div><div>I get the following error:</div><div><br></div><div><div>mpif90  -c -O2 -fopenmp -fexceptions  -funroll-loops -ftree-vectorize -ffree-form  -D__FFTSG -D__SPGLIB -D__FFTW3_UNALIGNED -D__MPI_VERSION=3 -D__LIBXC -D__LIBINT  -std=f2008 -ffree-line-length-none -I/usr/include  -I/usr/local/include -I/home/sgroi/apps/libxc/include -I/usr/local/include -D__COMPILE_ARCH="\"cygwin_lib\"" -D__COMPILE_DATE="\"Wed Jan 13 11:38:16 CET 2021\"" -D__COMPILE_HOST="\"LT0308779\"" -D__COMPILE_REVISION="\"git:0b61f2f\"" -D__DATA_DIR="\"/home/sgroi/apps/cp2k-8.1/data\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/home/sgroi/apps/cp2k-8.1/src/' -I'/home/sgroi/apps/cp2k-8.1/obj/cygwin_lib/exe/exts/dbcsr' domain_submatrix_methods.F90</div><div>/home/sgroi/apps/cp2k-8.1/src/xc/xc_libxc_wrap.F:75:42:</div><div><br></div><div>   75 |                            XC_FAMILY_MGGA, &</div><div>      |                                          1</div><div>Error: Symbol ‘xc_family_hyb_gga’ referenced at (1) not found in module ‘xc_f03_lib_m’</div><div>/home/sgroi/apps/cp2k-8.1/src/xc/xc_libxc_wrap.F:76:45:</div><div><br></div><div>   76 |                            XC_FAMILY_HYB_GGA, &</div><div>      |                                             1</div><div>Error: Symbol ‘xc_family_hyb_mgga’ referenced at (1) not found in module ‘xc_f03_lib_m’</div><div>/home/sgroi/apps/cp2k-8.1/src/xc/xc_libxc_wrap.F:113:30:</div><div><br></div><div>  113 |              XC_FAMILY_HYB_GGA, XC_FAMILY_HYB_MGGA</div><div>      |                              1</div><div>Error: Symbol ‘xc_family_hyb_gga’ at (1) has no IMPLICIT type; did you mean ‘xc_family_gga’?</div><div>/home/sgroi/apps/cp2k-8.1/src/xc/xc_libxc_wrap.F:113:50:</div><div><br></div><div>  113 |              XC_FAMILY_HYB_GGA, XC_FAMILY_HYB_MGGA</div><div>      |                                                  1</div><div>Error: Symbol ‘xc_family_hyb_mgga’ at (1) has no IMPLICIT type; did you mean ‘xc_family_mgga’?</div><div>make[3]: *** [/home/sgroi/apps/cp2k-8.1/Makefile:505: xc_libxc_wrap.o] Error 1</div><div>make[3]: *** Waiting for unfinished jobs....</div><div>make[2]: *** [/home/sgroi/apps/cp2k-8.1/Makefile:144: all] Error 2</div><div>make[1]: *** [/home/sgroi/apps/cp2k-8.1/Makefile:126: exe] Error 2</div><div>make: *** [Makefile:121: all] Error 2</div></div><div><br></div><div>Could you advice me on how to proceed? With version 7.1 I compile with no problems using the same arch file and libraries.</div><div><br></div><div>Thanks a lot and best regards,</div><div><br></div><div>Mauro Sgroi.</div><div>Centro Ricerche FIAT</div><div><br></div>