1# directories in this file will be scanned for a TEST_FILES entry, and used in regression testing of cp2k 2# additional fields are requirements on the list of cp2kflags provided by cp2k --version, i.e. regtests that will only run if a certain library has been linked in. 3# Directories have been reordered according the execution time needed for a gfortran pdbg run using 2 MPI tasks 4# in case a new directory is added just add it at the top of the list.. 5# the order will be regularly checked and modified... 6QS/regtest-corr_dipm 7QS/regtest-admm-gapw libint 8QS/regtest-rs-dhft libint 9QS/regtest-sos-mp2-lr libint 10QS/regtest-rpa-lr libint 11QS/regtest-mp2-lr libint 12QS/regtest-xastdp libint libxc 13QS/regtest-negf 14QS/regtest-negf-fft fftw3 15QS/regtest-ri-rpa-axk libint 16QS/regtest-ri-rpa-rse libint 17QS/regtest-cdft-hirshfeld-2 parallel mpiranks>1 18QS/regtest-cdft-hirshfeld 19SIRIUS/regtest-1 sirius 20QS/regtest-embed libint 21QS/regtest-pod 22QS/regtest-debug-1 23QS/regtest-debug-2 libint 24QS/regtest-debug-3 libint 25QS/regtest-cdft-diag 26xTB/regtest-1 27xTB/regtest-2 28xTB/regtest-3 29xTB/regtest-4 30xTB/regtest-5 31QS/regtest-almo-strong 32QS/regtest-elpa-2 elpa 33QS/regtest-cdft-5 34Pimd/regtest-1 35Pimd/regtest-2 36QS/regtest-mp2-grad libint 37QS/regtest-kp-2 38QS/regtest-pao-2 39QS/regtest-tddfpt-2 libint 40QS/regtest-tddfpt-3 41QS/regtest-p-efield 42QS/regtest-mp2-stress libint 43QS/regtest-ri-rpa libint 44QS/regtest-kg libxc 45QS/regtest-ec libint 46QS/regtest-gpw-4 47QS/regtest-gpw-8 48QS/regtest-gpw-2-3 49QS/regtest-sccs-3 50QS/regtest-gpw-5 51QS/regtest-hfx libint 52QS/regtest-hfx-2 libint 53Fist/regtest-7-1 54QS/regtest-mom-2 libint 55QS/regtest-gw libint 56QS/regtest-rel 57QS/regtest-admm-qps libint 58QS/regtest-sccs-1 59QS/regtest-kp-1 libint 60QS/regtest-kp-3 61QS/regtest-slab 62ATOM/regtest-pseudo 63DFTB/regtest-scc 64DFTB/regtest-scc-2 65QS/regtest-gpw-3 66QS/regtest-ot 67QS/regtest-gpw-1 libint 68QS/regtest-ps-implicit-2-1 69QS/regtest-rtp-3 70QS/regtest-dft-vdw-corr-3 libxc 71Fist/regtest-opt 72QS/regtest-hfx-block libint 73QS/regtest-ls-rtp 74QMMM/SE/regtest-force-mixing 75QS/regtest-xc 76QS/regtest-hfx-wfn-fitting libint 77QS/regtest-tddfpt 78QS/regtest-tddfpt-stda libint 79QS/regtest-libxc libxc libint 80QS/regtest-ps-implicit-2-2 81QMMM/QS/regtest-1 82QS/regtest-gpw-6-2 83Fist/regtest-12 84QS/regtest-lvlshift 85QS/regtest-plus_u 86QS/regtest-ps-implicit-1-3 fftw3 87QS/regtest-admm-4 libint 88ATOM/regtest-1 89QS/regtest-gw-ic-model libint 90QS/regtest-almo-md 91QS/regtest-pao-1 92QS/regtest-ri-mp2 libint 93QS/regtest-almo-2 94QS/regtest-nonortho 95QS/regtest-gapw-4 libint 96QMMM/SE/regtest 97Fist/regtest-7-2 98QS/regtest-nmr-uks-1 99QS/regtest-hfx-periodic libint 100QS/regtest-hybrid-4 libint libxc 101QS/regtest-gapw 102QS/regtest-nmr-6 103QS/regtest-ot-1 104QMMM/QS/regtest-cdft parallel mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24 105SE/regtest-2-2 106QS/regtest-gapw-1 107QS/regtest-ps-implicit-1-1 fftw3 108QS/regtest-pao-4 109QS/regtest-kind 110QS/regtest-polar 111Fist/regtest-5 112QS/regtest-nmr-1 113QS/regtest-ot-2 114QS/regtest-almo-1 115Fist/regtest-1-4 116SE/regtest-3-4 117QS/regtest-mp2-3 libint 118QS/regtest-sccs-2 119QS/regtest-dm-ls-scf-3 120QS/regtest-hole-funct 121MC/regtest 122SE/regtest-3-2 123QS/regtest-bs 124QS/regtest-dft-filtermat 125QS/regtest-nmr-4 126QS/regtest-gpw-7 127Fist/regtest-pol 128Fist/regtest-6 129QS/regtest-ps-implicit-1-2 fftw3 130SE/regtest-2-1 131QS/regtest-dft-vdw-corr-2 libxc 132QS/regtest-sparsity libint 133QS/regtest-admm-2 libint 134QS/regtest-double-hybrid-2 libint 135SE/regtest 136QS/regtest-dm-ls-scf-1 137QS/regtest-admm-dm libint 138QS/regtest-md-extrap 139QS/regtest-double-hybrid-3 libint 140QS/regtest-ps-implicit-2-3 141QS/regtest-gpw-2-2 142QS/regtest-epr-1 143Fist/regtest-4 144Fist/regtest-3 145QS/regtest-rma libint mpi3 mpiranks==4 146QS/regtest-hybrid-3 libint 147Fist/regtest-excl-R 148QMMM/QS/regtest-3 149Fist/regtest-excl-G 150ATOM/regtest-2 151QS/regtest-lrigpw 152QS/regtest-lrigpw-2 153QS/regtest-admm-3 libint 154QS/regtest-cdft-3 parallel mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24 155QS/regtest-gw-cubic libint 156QS/regtest-double-hybrid-1 libint 157QS/regtest-mp2-4 libint 158QS/regtest-sym-3 159QS/regtest-gpw-6-4 160LIBTEST 161Fist/regtest-5-vib mpiranks==1||mpiranks==2||mpiranks==4 162QS/regtest-hfx-stress libint 163QS/regtest-admm-1 libint 164QS/regtest-sym-4 165QS/regtest-sym-2 166QS/regtest-gapw-3 167QS/regtest-sym-5 168QS/regtest-ri-laplace-mp2 libint 169QS/regtest-pexsi pexsi 170QS/regtest-sym-1 171QS/regtest-rma-3D libint mpi3 mpiranks==8 172QS/regtest-rpa-cubic-scaling libint 173QS/regtest-cdft-4-3 174Fist/regtest-1-2 175Fist/regtest-1-3 176QS/regtest-rtp-2 177QS/regtest-gpw-6-3 178Fist/regtest-15 179QS/regtest-hybrid-2 libint 180QS/regtest-dm-ls-scf-2 181QS/regtest-cdft-4-2 182DFTB/regtest-nonscc 183Fist/regtest-2 184SE/regtest-4 185QS/regtest-nmr-5 186QMMM/QS/regtest-shell-pol 187TMC/regtest_ana_on_the_fly parallel mpiranks>2 188QS/regtest-stress 189QS/regtest-hirshfeld 190QMMM/QS/regtest-image 191NEB/regtest-4 192QS/regtest-meta 193QS/regtest-mp2-2 libint 194QS/regtest-ot-refine-2 195QS/regtest-gpw-2-1 196QS/regtest-dft-vdw-corr-1 197QMMM/DFTB/regtest 198QMMM/xTB/regtest 199QS/regtest-gpw-9 libxc 200QMMM/QS/regtest-gapw libint 201QS/regtest-cdft-4-1 202QMMM/QS/regtest-4 203TMC/regtest parallel mpiranks>1 204Fist/regtest-1-1 205QS/regtest-chi-1 206Fist/regtest-14 207Fist/regtest-10 208QS/regtest-ot-refine 209QS/regtest-cdft-1 210QMMM/SE/regtest_2 211QS/regtest-mp2-1 libint 212QS/regtest-gapw-2 213QMMM/QS/regtest-2-erf 214QS/regtest-md-lgvregion 215QMMM/QS/regtest-2-swave 216Fist/regtest-8 217QS/regtest-cdft-2 218QS/regtest-almo-eda 219Fist/regtest-gauss 220SE/regtest-3-3 221QS/regtest-epr-2 222QS/regtest-ot-1-vib mpiranks==1||mpiranks==2||mpiranks==4 223QS/regtest-elpa-qr elpa mpiranks==1||mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==8 224QS/regtest-all-electron 225QS/regtest-hybrid-1 libint 226FARMING/regtest-1 227TMC/regtest_ana_post_proc parallel mpiranks>1 228FE/regtest-1 229Fist/regtest-9 230QS/regtest-ot-refine-3 231Fist/regtest-11 232QS/regtest-as libint 233QS/regtest-rtp-1 234Fist/regtest-13 235QS/regtest-nmr-3 236NEB/regtest-2 237QS/regtest-cdft-3-1 238QS/regtest-mom-1 239NEB/regtest-1 240QS/regtest-pao-3 241optimize_input/regtest-1 242QS/regtest-spin-spin-1 243QS/regtest-properties/resp 244QS/regtest-nmr-2 245SE/regtest-3-1 246Fist/regtest-field 247FE/regtest-3 248QS/regtest-optbas 249QS/regtest-elpa elpa mpiranks==1||mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==8||mpiranks==16 250QS/regtest-linearscaling 251SWARM/regtest-glbopt-1 252TAMC/regtest 253QS 254NEB/regtest-3 255QS/regtest-lsroks 256QMMM/QS/regtest-lrigpw 257FE/regtest-2 258QS/regtest-fftw fftw3 259Fist/regtest-quip quip 260ATOM/regtest-libxc libxc 261Fist/regtest-plumed2 plumed2 262QS/regtest-sto 263QS/regtest-ri-laplace-mp2-cubic libint 264QS/regtest-dm-ls-scf-4 265QS/regtest-almo-trustr 266QS/regtest-nlmo 267QS/regtest-hfx-ri libint 268