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TEST_DIRS
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TEST_DIRS
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# directories in this file will be scanned for a TEST_FILES entry, and used in regression testing of cp2k
# 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.
# Directories have been reordered according the execution time needed for a gfortran pdbg run using 2 MPI tasks
# in case a new directory is added just add it at the top of the list..
# the order will be regularly checked and modified...
QS/regtest-cdft-hirshfeld-2 parallel mpiranks>1
QS/regtest-cdft-hirshfeld
SIRIUS/regtest-1 libxc sirius elpa scalapack mpiranks=4
QS/regtest-almo-strong
QS/regtest-elpa-2 elpa
QS/regtest-cdft-5
Pimd
QS/regtest-mp2-grad libint
QS/regtest-kp-2
QS/regtest-pao-2
QS/regtest-tddfpt-2 libint
QS/regtest-p-efield
QS/regtest-mp2-stress libint
QS/regtest-ri-rpa libint
QS/regtest-kg libxc
QS/regtest-gpw-4
QS/regtest-gpw-8
QS/regtest-gpw-2-3
QS/regtest-sccs-3
QS/regtest-gpw-5
QS/regtest-hfx libint
QS/regtest-hfx-2 libint
Fist/regtest-7-1
QS/regtest-mom-2 libint
QS/regtest-gw libint
QS/regtest-rel
QS/regtest-admm-qps libint
QS/regtest-sccs-1
QS/regtest-kp-1
QS/regtest-kp-3
QS/regtest-slab
ATOM/regtest-pseudo
DFTB/regtest-scc
QS/regtest-gpw-3
QS/regtest-ot
QS/regtest-gpw-1 libint
QS/regtest-ps-implicit-2-1
QS/regtest-rtp-3
QS/regtest-dft-vdw-corr-3 libxc
Fist/regtest-opt
QS/regtest-hfx-block libint
QS/regtest-ls-rtp
QMMM/SE/regtest-force-mixing
QS/regtest-xc
QS/regtest-hfx-wfn-fitting libint
QS/regtest-tddfpt
QS/regtest-libxc libxc libint
QS/regtest-ps-implicit-2-2
QMMM/QS/regtest-1
QS/regtest-gpw-6-2
Fist/regtest-12
QS/regtest-lvlshift
QS/regtest-plus_u
QS/regtest-embed libint
QS/regtest-ps-implicit-1-3 fftw3
QS/regtest-admm-4 libint
ATOM/regtest-1
QS/regtest-gw-ic-model
QS/regtest-almo-md
QS/regtest-pao-1
QS/regtest-ri-mp2 libint
QS/regtest-almo-2
QS/regtest-nonortho
QS/regtest-gapw-4 libint
QMMM/SE/regtest
Fist/regtest-7-2
QS/regtest-nmr-uks-1
QS/regtest-hfx-periodic libint
QS/regtest-hybrid-4 libint libxc
QS/regtest-gapw
QS/regtest-nmr-6
QS/regtest-ot-1
QMMM/QS/regtest-cdft parallel mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24
SE/regtest-2-2
QS/regtest-gapw-1
QS/regtest-ps-implicit-1-1 fftw3
QS/regtest-pao-4
QS/regtest-pod
Fist/regtest-5
QS/regtest-nmr-1
QS/regtest-ot-2
QS/regtest-almo-1
Fist/regtest-1-4
SE/regtest-3-4
QS/regtest-mp2-3 libint
QS/regtest-sccs-2
QS/regtest-dm-ls-scf-3
QS/regtest-hole-funct
MC/regtest
SE/regtest-3-2
QS/regtest-bs
QS/regtest-dft-filtermat
QS/regtest-nmr-4
QS/regtest-gpw-7
Fist/regtest-pol
Fist/regtest-6
QS/regtest-ps-implicit-1-2 fftw3
SE/regtest-2-1
QS/regtest-dft-vdw-corr-2 libxc
QS/regtest-sparsity libint
QS/regtest-admm-2 libint
QS/regtest-double-hybrid-2 libint
SE/regtest
QS/regtest-dm-ls-scf-1
QS/regtest-admm-dm libint
QS/regtest-md-extrap
QS/regtest-double-hybrid-3 libint
QS/regtest-ps-implicit-2-3
QS/regtest-gpw-2-2
QS/regtest-epr-1
Fist/regtest-4
Fist/regtest-3
QS/regtest-rma libint mpi3
QS/regtest-hybrid-3 libint
Fist/regtest-excl-R
QMMM/QS/regtest-3
Fist/regtest-excl-G
ATOM/regtest-2
QS/regtest-lrigpw
QS/regtest-lrigpw-2
QS/regtest-admm-3 libint
QS/regtest-cdft-3 parallel mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24
QS/regtest-gw-cubic libint
QS/regtest-double-hybrid-1 libint
QS/regtest-mp2-4 libint
QS/regtest-sym-3
QS/regtest-gpw-6-4
LIBTEST
Fist/regtest-5-vib mpiranks==1||mpiranks==2||mpiranks==4
QS/regtest-hfx-stress libint
QS/regtest-admm-1 libint
QS/regtest-sym-4
QS/regtest-sym-2
QS/regtest-gapw-3
QS/regtest-sym-5
QS/regtest-ri-laplace-mp2 libint
QS/regtest-pexsi pexsi
QS/regtest-sym-1
QS/regtest-rma-3D libint mpi3 mpiranks==8
QS/regtest-rpa-cubic-scaling libint mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24
QS/regtest-cdft-4-3
Fist/regtest-1-2
Fist/regtest-1-3
QS/regtest-cdft-diag
QS/regtest-rtp-2
QS/regtest-gpw-6-3
Fist/regtest-15
QS/regtest-hybrid-2 libint
QS/regtest-dm-ls-scf-2
QS/regtest-cdft-4-2
DFTB/regtest-nonscc
Fist/regtest-2
SE/regtest-4
QS/regtest-nmr-5
QMMM/QS/regtest-shell-pol
TMC/regtest_ana_on_the_fly parallel mpiranks>2
QS/regtest-stress
QS/regtest-hirshfeld
QMMM/QS/regtest-image
NEB/regtest-4
QS/regtest-meta
QS/regtest-mp2-2 libint
QS/regtest-ot-refine-2
QS/regtest-gpw-2-1
QS/regtest-dft-vdw-corr-1
QMMM/DFTB/regtest
QS/regtest-gpw-9 libxc
QMMM/QS/regtest-gapw libint
QS/regtest-cdft-4-1
QMMM/QS/regtest-4
TMC/regtest parallel mpiranks>1
Fist/regtest-1-1
QS/regtest-chi-1
Fist/regtest-14
Fist/regtest-10
QS/regtest-ot-refine
QS/regtest-cdft-1
QMMM/SE/regtest_2
QS/regtest-mp2-1 libint
QS/regtest-gapw-2
QMMM/QS/regtest-2-erf
QS/regtest-md-lgvregion
QMMM/QS/regtest-2-swave
Fist/regtest-8
QS/regtest-cdft-2
QS/regtest-almo-eda
Fist/regtest-gauss
SE/regtest-3-3
QS/regtest-epr-2
QS/regtest-ot-1-vib mpiranks==1||mpiranks==2||mpiranks==4
QS/regtest-elpa-qr elpa_qr mpiranks==1||mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==8
QS/regtest-all-electron
QS/regtest-hybrid-1 libint
FARMING/regtest-1
TMC/regtest_ana_post_proc parallel mpiranks>1
FE/regtest-1
Fist/regtest-9
QS/regtest-ot-refine-3
Fist/regtest-11
QS/regtest-as libint
QS/regtest-rtp-1
Fist/regtest-13
QS/regtest-nmr-3
NEB/regtest-2
QS/regtest-cdft-3-1
QS/regtest-mom-1
NEB/regtest-1
QS/regtest-kind
QS/regtest-pao-3
optimize_input/regtest-1
QS/regtest-spin-spin-1
QS/regtest-properties/resp
QS/regtest-nmr-2
SE/regtest-3-1
Fist/regtest-field
FE/regtest-3
QS/regtest-optbas
QS/regtest-elpa elpa mpiranks==1||mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==8||mpiranks==16
QS/regtest-linearscaling
SWARM/regtest-glbopt-1
TAMC/regtest
QS
NEB/regtest-3
QS/regtest-polar
QS/regtest-lsroks
QMMM/QS/regtest-lrigpw
FE/regtest-2
QS/regtest-fftw fftw3
Fist/regtest-quip quip
ATOM/regtest-libxc libxc
Fist/regtest-plumed2 plumed2
QS/regtest-sto
QS/regtest-ri-laplace-mp2-cubic libint mpiranks==2||mpiranks==4||mpiranks==6||mpiranks==16||mpiranks==24