Date: Sat, 16 Mar 2024 08:05:37 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: d9c009973f61 - main - science/quantum-espresso: update 6.7.0 =?utf-8?Q?=E2=86=92?= 7.3.1 Message-ID: <202403160805.42G85bhk036612@gitrepo.freebsd.org>
next in thread | raw e-mail | index | archive | help
The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=d9c009973f61a03688f1436c37d61b30f0971f00 commit d9c009973f61a03688f1436c37d61b30f0971f00 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2024-03-16 07:40:45 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2024-03-16 08:05:35 +0000 science/quantum-espresso: update 6.7.0 → 7.3.1 --- science/quantum-espresso/Makefile | 61 +- science/quantum-espresso/distinfo | 22 +- .../quantum-espresso/files/patch-CMakeLists.txt | 25 + science/quantum-espresso/files/patch-Makefile | 16 - science/quantum-espresso/files/patch-clib_stack.c | 12 - .../files/patch-cmake_GNUFortranCompiler.cmake | 11 + .../files/patch-cmake_qeHelpers.cmake | 12 + .../files/patch-environment__variables | 27 +- .../files/patch-install_extlibs__makefile | 15 - science/quantum-espresso/pkg-plist | 983 ++++++++++++++++++++- 10 files changed, 1099 insertions(+), 85 deletions(-) diff --git a/science/quantum-espresso/Makefile b/science/quantum-espresso/Makefile index 6ae410269510..b289745df57d 100644 --- a/science/quantum-espresso/Makefile +++ b/science/quantum-espresso/Makefile @@ -1,7 +1,6 @@ PORTNAME= quantum-espresso DISTVERSIONPREFIX= qe- -DISTVERSION= 6.7.0 -PORTREVISION= 3 +DISTVERSION= 7.3.1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -16,23 +15,46 @@ BROKEN_armv7= fails to build: gfortran8: error: iotk_base_tmp.f90: No such file BUILD_DEPENDS= fox-xml>0:textproc/fox-xml \ bash:shells/bash -LIB_DEPENDS= libmpich.so:net/mpich \ - libblas.so:math/blas \ - liblapack.so:math/lapack +LIB_DEPENDS= libblas.so:math/blas \ + libfftw3.so:math/fftw3 \ + liblapack.so:math/lapack \ + libopenblas.so:math/openblas -USES= fortran gmake python shebangfix -SHEBANG_FILES= configure +USES= cmake fortran python shebangfix GNU_CONFIGURE= yes + USE_GITHUB= yes GH_ACCOUNT= QEF GH_PROJECT= q-e +GH_TUPLE= anharmonic:d3q:87685245bc5bc14f226fc18e5126305501b368e8:anharmonic_d3q/external/d3q \ + pietrodelugas:fox:3453648e6837658b747b895bb7bef4b1ed2eac40:pietrodelugas_fox/external/fox \ + Reference-LAPACK:lapack:12d825396fcef1e0a1b27be9f119f9e554621e55:Reference_LAPACK_lapack/external/lapack \ + libmbd:libmbd:82005cbb65bdf5d32ca021848eec8f19da956a77:libmbd_libmbd/external/mbd \ + QMCPACK:pw2qmcpack:f72ab25fa4ea755c1b4b230ae8074b47d5509c70:QMCPACK_pw2qmcpack/external/pw2qmcpack \ + dceresoli:qe-gipaw:75b01b694c9ba4df55d294cacc27cf28591b2161:dceresoli_qe_gipaw/external/qe-gipaw \ + wannier-developers:wannier90:1d6b187374a2d50b509e5e79e2cab01a79ff7ce1:wannier_developers_wannier90/external/wannier90 +USE_GITLAB= nodefault +GL_TUPLE= max-centre/components:devicexlib:a6b89ef:devxlib/external/devxlib + + +SHEBANG_FILES= configure +SHEBANG_GLOB= *.sh *.py + +#MAKE_ARGS= TOPDIR=${WRKSRC} +#BINARY_ALIAS= make=gmake cpp=/usr/local/bin/cpp${GCC_DEFAULT} +FFLAGS+= ${MPI_CFLAGS} +LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortran.so -lm \ + ${MPI_LIBS} -MAKE_ARGS= TOPDIR=${WRKSRC} -BINARY_ALIAS= make=gmake cpp=/usr/local/bin/cpp${GCC_DEFAULT} -FFLAGS+= -x f95-cpp-input -LDFLAGS+= ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortran.so -lm +BINARY_ALIAS= git=false wget=false curl=false -MAKE_JOBS_UNSAFE= yes # https://github.com/QEF/q-e/issues/9 +OPTIONS_SINGLE= MPI +OPTIONS_SINGLE_MPI= MPICH OPENMPI +OPTIONS_DEFAULT= OPENMPI + +MPICH_USES= mpi:mpich + +OPENMPI_USES= mpi:openmpi .include <bsd.port.pre.mk> @@ -41,20 +63,17 @@ FFLAGS+= -fallow-argument-mismatch # workaround for https://github.com/QEF/q-e/i . endif post-extract: - @${RM} ${WRKSRC}/archive/lapack-3.6.1.tgz + @${RM} \ + ${WRKSRC}/archive/lapack-3.6.1.tgz \ + ${WRKSRC}/PP/src/bgw2pw.f90.orig @cd ${WRKSRC} && ${MKDIR} FoX && ${LN} -s ${LOCALBASE}/include FoX/finclude -pre-build: - @${REINPLACE_CMD} -i '' -e ' \ - s|$$(CPP) $$(CPPFLAGS)|$$(CPP) -P -traditional $$(CPPFLAGS)| ; \ - s|LD *=.*|LD=${CC}| ; \ - s|LAPACK_LIBS *=.*|LAPACK_LIBS=-L${LOCALBASE}/lib -llapack| ; \ - s|BLAS_LIBS *=.*|BLAS_LIBS=-L${LOCALBASE}/lib -lblas|' \ - ${WRKSRC}/make.inc - post-install: @${STRIP_CMD} ${STAGEDIR}${PREFIX}/bin/*.x +do-test: + cd ${WRKSRC}/test-suite && ${GMAKE} run-tests + run-examples: build .for c in PP PW PWCOND PHonon @cd ${WRKSRC}/$c/examples && PREFIX=${STAGEDIR}${PREFIX} ./run_all_examples diff --git a/science/quantum-espresso/distinfo b/science/quantum-espresso/distinfo index 1001f57d0ee6..aa23b08587fd 100644 --- a/science/quantum-espresso/distinfo +++ b/science/quantum-espresso/distinfo @@ -1,3 +1,19 @@ -TIMESTAMP = 1607020633 -SHA256 (QEF-q-e-qe-6.7.0_GH0.tar.gz) = 11364f931894555f296f176ca91757f9a8d510f8e5264ced60e82e11c6de725f -SIZE (QEF-q-e-qe-6.7.0_GH0.tar.gz) = 99527132 +TIMESTAMP = 1710561876 +SHA256 (QEF-q-e-qe-7.3.1_GH0.tar.gz) = 2c58b8fadfe4177de5a8b69eba447db5e623420b070dea6fd26c1533b081d844 +SIZE (QEF-q-e-qe-7.3.1_GH0.tar.gz) = 70939217 +SHA256 (anharmonic-d3q-87685245bc5bc14f226fc18e5126305501b368e8_GH0.tar.gz) = 570f4f615a81ff4f7eb23dbe4677d33398ebbf33ae10ae86401424df73b34835 +SIZE (anharmonic-d3q-87685245bc5bc14f226fc18e5126305501b368e8_GH0.tar.gz) = 14356192 +SHA256 (pietrodelugas-fox-3453648e6837658b747b895bb7bef4b1ed2eac40_GH0.tar.gz) = 107b1d58eb6a0a730c98520a8f99a6459b2a0e06b06f4b037abf358b29d50df1 +SIZE (pietrodelugas-fox-3453648e6837658b747b895bb7bef4b1ed2eac40_GH0.tar.gz) = 988789 +SHA256 (Reference-LAPACK-lapack-12d825396fcef1e0a1b27be9f119f9e554621e55_GH0.tar.gz) = 2ae8b6eb09e9c1d3b5d66bb778a5a5119af13575bb7fd8016f5cabb319253257 +SIZE (Reference-LAPACK-lapack-12d825396fcef1e0a1b27be9f119f9e554621e55_GH0.tar.gz) = 7489950 +SHA256 (libmbd-libmbd-82005cbb65bdf5d32ca021848eec8f19da956a77_GH0.tar.gz) = 31a470f55a0c74857df1cfa1bdf915ef9e389b0f86796cae92bd74824e27d4d7 +SIZE (libmbd-libmbd-82005cbb65bdf5d32ca021848eec8f19da956a77_GH0.tar.gz) = 85408 +SHA256 (QMCPACK-pw2qmcpack-f72ab25fa4ea755c1b4b230ae8074b47d5509c70_GH0.tar.gz) = 100db550954e449e4bfbd7020254205941b946b2c6fe6d8c26db4880daa72609 +SIZE (QMCPACK-pw2qmcpack-f72ab25fa4ea755c1b4b230ae8074b47d5509c70_GH0.tar.gz) = 19192 +SHA256 (dceresoli-qe-gipaw-75b01b694c9ba4df55d294cacc27cf28591b2161_GH0.tar.gz) = 1e269ca4ee3718ef18a24534fab43003de4c2128b6b90f8552c2ecbc7f1ef635 +SIZE (dceresoli-qe-gipaw-75b01b694c9ba4df55d294cacc27cf28591b2161_GH0.tar.gz) = 5858965 +SHA256 (wannier-developers-wannier90-1d6b187374a2d50b509e5e79e2cab01a79ff7ce1_GH0.tar.gz) = e5936d20c4e19f458335a53a1ec94ac993e54b09ee0e44b3184ac13c0f2758ad +SIZE (wannier-developers-wannier90-1d6b187374a2d50b509e5e79e2cab01a79ff7ce1_GH0.tar.gz) = 101226267 +SHA256 (devicexlib-a6b89ef.tar.bz2) = e285f5e4c299d4a46832cc35b7b99b7fe45f10832d4c36c463f38bb279304a86 +SIZE (devicexlib-a6b89ef.tar.bz2) = 5315051 diff --git a/science/quantum-espresso/files/patch-CMakeLists.txt b/science/quantum-espresso/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..d315d0c9420b --- /dev/null +++ b/science/quantum-espresso/files/patch-CMakeLists.txt @@ -0,0 +1,25 @@ +--- CMakeLists.txt.orig 2024-03-16 03:53:23 UTC ++++ CMakeLists.txt +@@ -395,14 +395,14 @@ endif(QE_ENABLE_MPI) + ########################################################### + # Git + ########################################################### +-find_package(Git 2.13 REQUIRED) +-if(EXISTS ${qe_SOURCE_DIR}/.git) +- message(STATUS "Source files are cloned from a git repository.") +- set(IS_GIT_PROJECT 1) +- include(GitInfo) +-else() +- message(STATUS "Source files are not cloned from a git repository.") +-endif() ++#find_package(Git 2.13 REQUIRED) ++#if(EXISTS ${qe_SOURCE_DIR}/.git) ++# message(STATUS "Source files are cloned from a git repository.") ++# set(IS_GIT_PROJECT 1) ++# include(GitInfo) ++#else() ++# message(STATUS "Source files are not cloned from a git repository.") ++#endif() + + ########################################################### + # Lapack diff --git a/science/quantum-espresso/files/patch-Makefile b/science/quantum-espresso/files/patch-Makefile deleted file mode 100644 index e66e268f3dbb..000000000000 --- a/science/quantum-espresso/files/patch-Makefile +++ /dev/null @@ -1,16 +0,0 @@ ---- Makefile.orig 2019-03-06 02:33:55 UTC -+++ Makefile -@@ -296,10 +296,10 @@ links : bindir - ############################################################# - - install : -- mkdir -p $(PREFIX)/bin ; \ -+ mkdir -p $(DESTDIR)$(PREFIX)/bin ; \ - for x in `find * ! -path "test-suite/*" -name *.x -type f` ; do \ -- cp -v $$x $(PREFIX)/bin/ ; done -- @echo -e '\nQuantum ESPRESSO binaries are installed in $(PREFIX)/bin\n' -+ cp -v $$x $(DESTDIR)$(PREFIX)/bin/ ; done -+ @echo -e '\nQuantum ESPRESSO binaries are installed in $(DESTDIR)$(PREFIX)/bin\n' - - ######################################################### - # Run test-suite for numerical regression testing diff --git a/science/quantum-espresso/files/patch-clib_stack.c b/science/quantum-espresso/files/patch-clib_stack.c deleted file mode 100644 index a6fcf7db9c19..000000000000 --- a/science/quantum-espresso/files/patch-clib_stack.c +++ /dev/null @@ -1,12 +0,0 @@ ---- clib/stack.c.orig 2018-07-18 19:43:55 UTC -+++ clib/stack.c -@@ -11,6 +11,9 @@ - - #if !defined(__WIN32) - #include <sys/resource.h> -+#if defined(__FreeBSD__) -+#include <sys/types.h> -+#endif - - void remove_stack_limit_(void) { - diff --git a/science/quantum-espresso/files/patch-cmake_GNUFortranCompiler.cmake b/science/quantum-espresso/files/patch-cmake_GNUFortranCompiler.cmake new file mode 100644 index 000000000000..4062ba6f5a3c --- /dev/null +++ b/science/quantum-espresso/files/patch-cmake_GNUFortranCompiler.cmake @@ -0,0 +1,11 @@ +--- cmake/GNUFortranCompiler.cmake.orig 2024-02-29 10:18:05 UTC ++++ cmake/GNUFortranCompiler.cmake +@@ -29,7 +29,7 @@ else() + + target_link_options(qe_openmp_fortran INTERFACE "$<$<LINK_LANGUAGE:Fortran>:${OpenMP_Fortran_FLAGS}>") + else() +- target_compile_options(qe_openmp_fortran INTERFACE "-foffload=disable") ++ target_compile_options(qe_openmp_fortran INTERFACE "--offload=disable") + endif() + + ############################################################ diff --git a/science/quantum-espresso/files/patch-cmake_qeHelpers.cmake b/science/quantum-espresso/files/patch-cmake_qeHelpers.cmake new file mode 100644 index 000000000000..ddfda0524156 --- /dev/null +++ b/science/quantum-espresso/files/patch-cmake_qeHelpers.cmake @@ -0,0 +1,12 @@ +- workaround for https://gitlab.com/QEF/q-e/-/issues/668 + +--- cmake/qeHelpers.cmake.orig 2024-03-16 03:55:17 UTC ++++ cmake/qeHelpers.cmake +@@ -96,6 +96,7 @@ function(qe_git_submodule_update PATH) + endfunction(_qe_add_cuda_link_flags) + + function(qe_git_submodule_update PATH) ++ return() + # validate submodule_commit_hash_records against git database + get_filename_component(SUBMODULE_NAME ${PATH} NAME) + get_filename_component(SUBMODULE_UPPER_DIR ${PATH} DIRECTORY) diff --git a/science/quantum-espresso/files/patch-environment__variables b/science/quantum-espresso/files/patch-environment__variables index ef6a6e1fac27..afa3ad0d0e6d 100644 --- a/science/quantum-espresso/files/patch-environment__variables +++ b/science/quantum-espresso/files/patch-environment__variables @@ -1,38 +1,31 @@ ---- environment_variables.orig 2018-07-04 09:14:20 UTC +--- environment_variables.orig 2024-02-29 10:18:05 UTC +++ environment_variables -@@ -17,11 +17,14 @@ export LC_ALL - - # The following should be good for most cases +@@ -66,12 +66,16 @@ + # For this reason, a plain "diff" of your results against the reference + # data may not work and human inspection of the results may be needed. -PREFIX=`cd ../../.. ; pwd` +if [ -z "$PREFIX" ]; then + echo "Please set the PREFIX environment variable" + exit 1 +fi + # $PREFIX is the root of the Quantum ESPRESSO source tree. BIN_DIR=$PREFIX/bin -PSEUDO_DIR=$PREFIX/pseudo +PSEUDO_DIR=$PREFIX/share/quantum-espresso/pseudo ++ESPRESSO_PSEUDO=/tmp # Beware: everything in $TMP_DIR will be destroyed ! -TMP_DIR=$PREFIX/tempdir +TMP_DIR=/tmp - # There should be no need to change anything below this line - -@@ -57,7 +60,7 @@ fi - # parallelism, do not run on too many processors - PARA_PREFIX=" " --PARA_PREFIX="mpirun -np 4" -+#PARA_PREFIX="mpirun -np 4" - # - # available flags: - # -ni n number of images (or -nimage) -@@ -68,7 +71,7 @@ PARA_PREFIX="mpirun -np 4" + # PARA_PREFIX="mpirun -np 4" +@@ -85,7 +89,7 @@ PARA_PREFIX=" " # -nd n number of processors for linear algebra # (or -ndiag, -northo) - # + -PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 " +#PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 " - # + # The following variables are used for image parallelization of PHonon # (see example in PHonon/examples/Image_example) diff --git a/science/quantum-espresso/files/patch-install_extlibs__makefile b/science/quantum-espresso/files/patch-install_extlibs__makefile deleted file mode 100644 index 5154137a4bf7..000000000000 --- a/science/quantum-espresso/files/patch-install_extlibs__makefile +++ /dev/null @@ -1,15 +0,0 @@ ---- install/extlibs_makefile.orig 2020-11-30 12:57:09 UTC -+++ install/extlibs_makefile -@@ -39,12 +39,6 @@ liblapack : liblapack_$(LAPACK_LIBS_SWITCH) - liblapack_external : - - liblapack_internal: -- $(call download_and_unpack,$(LAPACK_NETLIB_NAME),$(LAPACK_NETLIB_URL),LAPACK,LAPACK) -- if test ! -e ../LAPACK/liblapack.a && test -e make_lapack.inc; then \ -- (cp make_lapack.inc ../LAPACK/make.inc; \ -- cd ../LAPACK; $(MAKE) blaslib lapacklib); else \ -- (echo "no configuration file found for lapack"; \ -- echo "run configure from main QE dir"; exit); fi - lapack_clean: - if test -d ../LAPACK; then (cd ../LAPACK; $(MAKE) clean); fi - lapack_veryclean: diff --git a/science/quantum-espresso/pkg-plist b/science/quantum-espresso/pkg-plist index 31c85f5fa574..da365848bae6 100644 --- a/science/quantum-espresso/pkg-plist +++ b/science/quantum-espresso/pkg-plist @@ -1,31 +1,54 @@ +bin/ZG.x +bin/abcoeff_to_eps.x +bin/all_currents.x bin/alpha2f.x bin/average.x bin/bands.x +bin/bands_unfold.x bin/bse_main.x +bin/casino2upf.x bin/cell2ibrav.x bin/cp.x bin/cppp.x +bin/d3hess.x +bin/disca.x bin/dos.x +bin/dos_sp.x bin/dvscf_q2r.x bin/dynmat.x +bin/ef.x bin/epa.x bin/epsilon.x +bin/epsilon_Gaus.x +bin/epw.x +bin/epw_pp.py bin/ev.x +bin/fd.x +bin/fd_ef.x +bin/fd_ifc.x +bin/fermi_int_0.x +bin/fermi_int_1.x bin/fermi_proj.x bin/fermi_velocity.x bin/fqha.x bin/fs.x +bin/graph.x bin/gww.x bin/gww_fit.x bin/head.x +bin/hgh2qe.x bin/hp.x bin/ibrav2cell.x bin/initial_state.x +bin/kcw.x +bin/kcwpp_interp.x +bin/kcwpp_sh.x bin/kpoints.x bin/lambda.x bin/ld1.x bin/manycp.x bin/matdyn.x +bin/memory_pw4gww.x bin/molecularnexafs.x bin/molecularpdos.x bin/neb.x @@ -40,12 +63,17 @@ bin/plotproj.x bin/plotrho.x bin/pmw.x bin/postahc.x +bin/postw90.x bin/pp.x +bin/pp_disca.x +bin/pp_spctrlfn.x bin/ppacf.x +bin/pprism.x bin/projwfc.x bin/pw.x bin/pw2bgw.x bin/pw2critic.x +bin/pw2gt.x bin/pw2gw.x bin/pw2wannier90.x bin/pw4gww.x @@ -53,6 +81,7 @@ bin/pwcond.x bin/pwi2xsf.x bin/q2qstar.x bin/q2r.x +bin/qe_xc_infos.x bin/scan_ibrav.x bin/simple.x bin/simple_bse.x @@ -62,12 +91,964 @@ bin/sumpdos.x bin/turbo_davidson.x bin/turbo_eels.x bin/turbo_lanczos.x +bin/turbo_magnon.x bin/turbo_spectrum.x bin/upfconv.x bin/virtual_v2.x +bin/w90chk2chk.x +bin/wannier90.x bin/wannier_ham.x bin/wannier_plot.x bin/wfck2r.x bin/wfdd.x -bin/xctest_qe_libxc.x bin/xspectra.x +include/mbd.h +include/mbd.mod +include/qe/qe_atomic/atomic_paw.mod +include/qe/qe_atomic/kli.mod +include/qe/qe_atomic/ld1_parameters.mod +include/qe/qe_atomic/ld1inc.mod +include/qe/qe_atomic/paw_type.mod +include/qe/qe_cpv/betax.mod +include/qe/qe_cpv/cell_nose.mod +include/qe/qe_cpv/cg_module.mod +include/qe/qe_cpv/cg_sub.mod +include/qe/qe_cpv/core.mod +include/qe/qe_cpv/cp_autopilot.mod +include/qe/qe_cpv/cp_electronic_mass.mod +include/qe/qe_cpv/cp_interfaces.mod +include/qe/qe_cpv/cp_main_variables.mod +include/qe/qe_cpv/cp_restart_new.mod +include/qe/qe_cpv/dener.mod +include/qe/qe_cpv/efcalc.mod +include/qe/qe_cpv/efield_module.mod +include/qe/qe_cpv/electric_field_module.mod +include/qe/qe_cpv/electrons_module.mod +include/qe/qe_cpv/electrons_nose.mod +include/qe/qe_cpv/energies.mod +include/qe/qe_cpv/ensemble_dft.mod +include/qe/qe_cpv/environ_cp_module.mod +include/qe/qe_cpv/exx_module.mod +include/qe/qe_cpv/input.mod +include/qe/qe_cpv/ions_nose.mod +include/qe/qe_cpv/ions_positions.mod +include/qe/qe_cpv/kohn_sham_states.mod +include/qe/qe_cpv/ldau_cp.mod +include/qe/qe_cpv/local_pseudo.mod +include/qe/qe_cpv/metagga_cp.mod +include/qe/qe_cpv/multipole_expansion.mod +include/qe/qe_cpv/ortho_module.mod +include/qe/qe_cpv/orthogonalize_base.mod +include/qe/qe_cpv/pres_ai_mod.mod +include/qe/qe_cpv/problem_size.mod +include/qe/qe_cpv/pseudo_base.mod +include/qe/qe_cpv/pseudopotential.mod +include/qe/qe_cpv/qgb_mod.mod +include/qe/qe_cpv/sic_module.mod +include/qe/qe_cpv/small_box.mod +include/qe/qe_cpv/smallbox_grid_dim.mod +include/qe/qe_cpv/smallbox_gvec.mod +include/qe/qe_cpv/smallbox_subs.mod +include/qe/qe_cpv/splines.mod +include/qe/qe_cpv/step_penalty.mod +include/qe/qe_cpv/stress_param.mod +include/qe/qe_cpv/tune.mod +include/qe/qe_cpv/wannier_base.mod +include/qe/qe_cpv/wannier_module.mod +include/qe/qe_cpv/wannier_subroutines.mod +include/qe/qe_cpv/wanpar.mod +include/qe/qe_cpv/wave_base.mod +include/qe/qe_cpv/wave_types.mod +include/qe/qe_devxlib/device_auxfunc_m.mod +include/qe/qe_devxlib/device_fbuff_m.mod +include/qe/qe_devxlib/device_memcpy_m.mod +include/qe/qe_devxlib/devicexlib_m.mod +include/qe/qe_devxlib/tb_dev.mod +include/qe/qe_devxlib/tb_pin.mod +include/qe/qe_devxlib/timer_m.mod +include/qe/qe_dftd3/dftd3_api.mod +include/qe/qe_dftd3/dftd3_common.mod +include/qe/qe_dftd3/dftd3_core.mod +include/qe/qe_dftd3/dftd3_pars.mod +include/qe/qe_dftd3/dftd3_qe.mod +include/qe/qe_dftd3/dftd3_sizes.mod +include/qe/qe_epw/bfield.mod +include/qe/qe_epw/bloch2wan.mod +include/qe/qe_epw/close_epw.mod +include/qe/qe_epw/constants_epw.mod +include/qe/qe_epw/control_epw.mod +include/qe/qe_epw/cum_mod.mod +include/qe/qe_epw/division.mod +include/qe/qe_epw/dvqpsi.mod +include/qe/qe_epw/eliashberg_common.mod +include/qe/qe_epw/eliashberg_common_aniso.mod +include/qe/qe_epw/eliashberg_common_iso.mod +include/qe/qe_epw/eliashbergcom.mod +include/qe/qe_epw/elph2.mod +include/qe/qe_epw/epw_stop.mod +include/qe/qe_epw/epwcom.mod +include/qe/qe_epw/grid.mod +include/qe/qe_epw/ifconstants.mod +include/qe/qe_epw/indabs.mod +include/qe/qe_epw/io_eliashberg.mod +include/qe/qe_epw/io_epw.mod +include/qe/qe_epw/io_indabs.mod +include/qe/qe_epw/io_selfen.mod +include/qe/qe_epw/io_transport.mod +include/qe/qe_epw/io_var.mod +include/qe/qe_epw/kfold.mod +include/qe/qe_epw/klist_epw.mod +include/qe/qe_epw/low_lvl.mod +include/qe/qe_epw/output_epw.mod +include/qe/qe_epw/polaron.mod +include/qe/qe_epw/poolgathering.mod +include/qe/qe_epw/printing.mod +include/qe/qe_epw/pw2wan2epw.mod +include/qe/qe_epw/qdabs.mod +include/qe/qe_epw/read_ahc_files.mod +include/qe/qe_epw/rigid_epw.mod +include/qe/qe_epw/rotate.mod +include/qe/qe_epw/rotate_wavefunction.mod +include/qe/qe_epw/selfen.mod +include/qe/qe_epw/selfen_ahc.mod +include/qe/qe_epw/spectral_func.mod +include/qe/qe_epw/supercond.mod +include/qe/qe_epw/supercond_aniso.mod +include/qe/qe_epw/supercond_iso.mod +include/qe/qe_epw/transport.mod +include/qe/qe_epw/transport_iter.mod +include/qe/qe_epw/utilities.mod +include/qe/qe_epw/wan2bloch.mod +include/qe/qe_epw/wannierepw.mod +include/qe/qe_epw/wannierization.mod +include/qe/qe_epw/wfpt_mod.mod +include/qe/qe_epw/wigner.mod +include/qe/qe_fftx/fft_ggen.mod +include/qe/qe_fftx/fft_helper_subroutines.mod +include/qe/qe_fftx/fft_interfaces.mod +include/qe/qe_fftx/fft_parallel.mod +include/qe/qe_fftx/fft_parallel_2d.mod +include/qe/qe_fftx/fft_param.mod +include/qe/qe_fftx/fft_scalar.mod +include/qe/qe_fftx/fft_scalar_fftw3.mod +include/qe/qe_fftx/fft_scatter.mod +include/qe/qe_fftx/fft_scatter_2d.mod +include/qe/qe_fftx/fft_smallbox.mod +include/qe/qe_fftx/fft_smallbox_type.mod +include/qe/qe_fftx/fft_support.mod +include/qe/qe_fftx/fft_types.mod +include/qe/qe_fftx/fftw_interfaces.mod +include/qe/qe_fftx/scatter_mod.mod +include/qe/qe_fftx/stick_base.mod +include/qe/qe_gww/basic_structures.mod +include/qe/qe_gww/bse_basic_structures.mod +include/qe/qe_gww/bse_wannier.mod +include/qe/qe_gww/compact_product.mod +include/qe/qe_gww/contour.mod +include/qe/qe_gww/contract_w.mod +include/qe/qe_gww/convergence_gw.mod +include/qe/qe_gww/derived_objects.mod +include/qe/qe_gww/direct_www.mod +include/qe/qe_gww/energies_gww.mod +include/qe/qe_gww/exchange_custom.mod +include/qe/qe_gww/exciton.mod +include/qe/qe_gww/expansion.mod +include/qe/qe_gww/fake_cond_mod.mod +include/qe/qe_gww/fft_custom_gwl.mod +include/qe/qe_gww/fft_gw.mod +include/qe/qe_gww/global_minpack.mod +include/qe/qe_gww/green_function.mod +include/qe/qe_gww/input_gw.mod +include/qe/qe_gww/input_simple.mod +include/qe/qe_gww/input_simple_exc.mod +include/qe/qe_gww/input_simple_ip.mod +include/qe/qe_gww/io_base_export.mod +include/qe/qe_gww/lanczos.mod +include/qe/qe_gww/mp_wave_parallel.mod +include/qe/qe_gww/para_gww.mod +include/qe/qe_gww/polarization.mod +include/qe/qe_gww/qpe_exc.mod +include/qe/qe_gww/self_energy_storage.mod +include/qe/qe_gww/simple_ip_objects.mod +include/qe/qe_gww/simple_objects.mod +include/qe/qe_gww/start_end.mod +include/qe/qe_gww/tetra_ip.mod +include/qe/qe_gww/times_gw.mod +include/qe/qe_gww/transitions.mod +include/qe/qe_gww/w_divergence.mod +include/qe/qe_hp/hp_nc_mag_aux.mod +include/qe/qe_hp/ldau_hp.mod +include/qe/qe_kcw/control_kcw.mod +include/qe/qe_kcw/coulomb.mod +include/qe/qe_kcw/interpolation.mod +include/qe/qe_kcw/io_kcw.mod +include/qe/qe_kcw/solve_linter_koop_mod.mod +include/qe/qe_kssolver_davidson/david_rci_m.mod +include/qe/qe_kssolver_davidson/ks_solver_interfaces.fh +include/qe/qe_lax/dspev_module.mod +include/qe/qe_lax/laxlib.fh +include/qe/qe_lax/laxlib_descriptor.mod +include/qe/qe_lax/laxlib_hi.fh +include/qe/qe_lax/laxlib_kinds.fh +include/qe/qe_lax/laxlib_low.fh +include/qe/qe_lax/laxlib_mid.fh +include/qe/qe_lax/laxlib_parallel_include.mod +include/qe/qe_lax/laxlib_param.fh +include/qe/qe_lax/laxlib_processors_grid.mod +include/qe/qe_lax/laxlib_ptoolkit.mod +include/qe/qe_lax/zhpev_module.mod +include/qe/qe_lr_modules/apply_dpot_mod.mod +include/qe/qe_lr_modules/control_lr.mod +include/qe/qe_lr_modules/coul_cut_2d_ph.mod +include/qe/qe_lr_modules/dfpt_tetra_mod.mod +include/qe/qe_lr_modules/dv_of_drho_lr.mod +include/qe/qe_lr_modules/dynamical.mod +include/qe/qe_lr_modules/efermi_shift.mod +include/qe/qe_lr_modules/eqv.mod +include/qe/qe_lr_modules/gc_lr.mod +include/qe/qe_lr_modules/ldau_lr.mod +include/qe/qe_lr_modules/lr_sym_mod.mod +include/qe/qe_lr_modules/lr_symm_base.mod +include/qe/qe_lr_modules/lrus.mod +include/qe/qe_lr_modules/ph_rvv10.mod +include/qe/qe_lr_modules/ph_vdw_df.mod +include/qe/qe_lr_modules/qpoint.mod +include/qe/qe_lr_modules/qpoint_aux.mod +include/qe/qe_lr_modules/response_kernels.mod +include/qe/qe_lr_modules/units_lr.mod +include/qe/qe_modules/additional_kpoints.mod +include/qe/qe_modules/autopilot.mod +include/qe/qe_modules/basic_algebra_routines.mod +include/qe/qe_modules/becmod.mod +include/qe/qe_modules/bfgs_module.mod +include/qe/qe_modules/bspline.mod +include/qe/qe_modules/bz_form.mod +include/qe/qe_modules/cell_base.mod +include/qe/qe_modules/check_stop.mod +include/qe/qe_modules/command_line_options.mod +include/qe/qe_modules/constants.mod +include/qe/qe_modules/constraints_module.mod +include/qe/qe_modules/control_flags.mod +include/qe/qe_modules/coulomb_vcut_module.mod +include/qe/qe_modules/electrons_base.mod +include/qe/qe_modules/environ_base_module.mod +include/qe/qe_modules/environment.mod +include/qe/qe_modules/err_rism.mod +include/qe/qe_modules/extffield.mod +include/qe/qe_modules/f90sockets.mod +include/qe/qe_modules/fd_gradient.mod +include/qe/qe_modules/fft_base.mod +include/qe/qe_modules/fft_rho.mod +include/qe/qe_modules/fft_wave.mod +include/qe/qe_modules/fox_init_module.mod +include/qe/qe_modules/funct.mod +include/qe/qe_modules/generate_function.mod +include/qe/qe_modules/global_version.mod +include/qe/qe_modules/gvec_3drism.mod +include/qe/qe_modules/gvecs.mod +include/qe/qe_modules/gvect.mod +include/qe/qe_modules/gvecw.mod +include/qe/qe_modules/hdf5_qe.mod +include/qe/qe_modules/input_parameters.mod +include/qe/qe_modules/io_base.mod +include/qe/qe_modules/io_files.mod +include/qe/qe_modules/io_global.mod +include/qe/qe_modules/io_rism_xml.mod +include/qe/qe_modules/ions_base.mod +include/qe/qe_modules/kinds.mod +include/qe/qe_modules/lauefft.mod +include/qe/qe_modules/libmbd_interface.mod +include/qe/qe_modules/lmdif_module.mod +include/qe/qe_modules/london_module.mod +include/qe/qe_modules/makovpayne.mod +include/qe/qe_modules/matrix_inversion.mod +include/qe/qe_modules/mdiis.mod +include/qe/qe_modules/molecule_const.mod +include/qe/qe_modules/molecule_types.mod +include/qe/qe_modules/mp_bands.mod +include/qe/qe_modules/mp_bands_tddfpt.mod +include/qe/qe_modules/mp_exx.mod +include/qe/qe_modules/mp_global.mod +include/qe/qe_modules/mp_images.mod +include/qe/qe_modules/mp_orthopools.mod +include/qe/qe_modules/mp_pools.mod +include/qe/qe_modules/mp_rism.mod +include/qe/qe_modules/mp_wave.mod +include/qe/qe_modules/mp_world.mod +include/qe/qe_modules/noncollin_module.mod +include/qe/qe_modules/open_close_input_file.mod +include/qe/qe_modules/parameters.mod +include/qe/qe_modules/parser.mod +include/qe/qe_modules/plugin_flags.mod +include/qe/qe_modules/plugin_variables.mod +include/qe/qe_modules/printout_base.mod +include/qe/qe_modules/qeh5_base_module.mod +include/qe/qe_modules/qes_bcast_module.mod +include/qe/qe_modules/qes_init_module.mod +include/qe/qe_modules/qes_libs_module.mod +include/qe/qe_modules/qes_read_module.mod +include/qe/qe_modules/qes_reset_module.mod +include/qe/qe_modules/qes_types_module.mod +include/qe/qe_modules/qes_write_module.mod +include/qe/qe_modules/qexsd_copy.mod +include/qe/qe_modules/qexsd_init.mod +include/qe/qe_modules/qexsd_input.mod +include/qe/qe_modules/qexsd_module.mod +include/qe/qe_modules/qmmm.mod +include/qe/qe_modules/radfft.mod +include/qe/qe_modules/random_numbers.mod +include/qe/qe_modules/random_numbers_gpum.mod +include/qe/qe_modules/read_cards_module.mod +include/qe/qe_modules/read_input.mod +include/qe/qe_modules/read_mol_module.mod +include/qe/qe_modules/read_namelists_module.mod +include/qe/qe_modules/read_pseudo_mod.mod +include/qe/qe_modules/read_solv_module.mod +include/qe/qe_modules/recvec_subs.mod +include/qe/qe_modules/rism.mod +include/qe/qe_modules/rism1d_facade.mod +include/qe/qe_modules/rism3d_facade.mod +include/qe/qe_modules/run_info.mod +include/qe/qe_modules/rvv10.mod +include/qe/qe_modules/set_signal.mod +include/qe/qe_modules/solute.mod +include/qe/qe_modules/solvavg.mod +include/qe/qe_modules/solvmol.mod +include/qe/qe_modules/space_group.mod +include/qe/qe_modules/time_step.mod +include/qe/qe_modules/tsvdw_module.mod +include/qe/qe_modules/vdw_df.mod +include/qe/qe_modules/wannier_gw.mod +include/qe/qe_modules/wannier_new.mod +include/qe/qe_modules/wave_gauge.mod +include/qe/qe_modules/wavefunctions.mod +include/qe/qe_modules/wavefunctions_gpum.mod +include/qe/qe_modules/ws_base.mod +include/qe/qe_modules/wy_pos.mod +include/qe/qe_modules/wyckoff.mod +include/qe/qe_modules/xml_io_rism.mod +include/qe/qe_neb/fcp_opt_routines.mod +include/qe/qe_neb/fcp_variables.mod +include/qe/qe_neb/gcscf_variables.mod +include/qe/qe_neb/int_global_variables.mod +include/qe/qe_neb/path_base.mod +include/qe/qe_neb/path_formats.mod +include/qe/qe_neb/path_input_parameters_module.mod +include/qe/qe_neb/path_io_routines.mod +include/qe/qe_neb/path_io_units_module.mod +include/qe/qe_neb/path_opt_routines.mod +include/qe/qe_neb/path_read_cards_module.mod +include/qe/qe_neb/path_read_namelists_module.mod +include/qe/qe_neb/path_reparametrisation.mod +include/qe/qe_neb/path_variables.mod +include/qe/qe_phonon_ph/aa.mod +include/qe/qe_phonon_ph/acfdtest.mod +include/qe/qe_phonon_ph/ahc.mod +include/qe/qe_phonon_ph/alpha2f_routines.mod +include/qe/qe_phonon_ph/alpha2f_vals.mod +include/qe/qe_phonon_ph/cgcom.mod +include/qe/qe_phonon_ph/cgconv.mod +include/qe/qe_phonon_ph/control_ph.mod +include/qe/qe_phonon_ph/cryst_ph.mod +include/qe/qe_phonon_ph/d2nsq_bare_module.mod +include/qe/qe_phonon_ph/dfile_autoname.mod +include/qe/qe_phonon_ph/dfile_star.mod +include/qe/qe_phonon_ph/dielectric.mod +include/qe/qe_phonon_ph/diffs.mod +include/qe/qe_phonon_ph/disp.mod +include/qe/qe_phonon_ph/doubleprojqq_module.mod +include/qe/qe_phonon_ph/dvscf_interpolate.mod +include/qe/qe_phonon_ph/dynamicalq.mod +include/qe/qe_phonon_ph/dynmat.mod +include/qe/qe_phonon_ph/efield_mod.mod +include/qe/qe_phonon_ph/el_phon.mod +include/qe/qe_phonon_ph/elph_scdft_mod.mod +include/qe/qe_phonon_ph/elph_tetra_mod.mod +include/qe/qe_phonon_ph/flags.mod +include/qe/qe_phonon_ph/freq_ph.mod +include/qe/qe_phonon_ph/gamma_gamma.mod +include/qe/qe_phonon_ph/grid_irr_iq.mod +include/qe/qe_phonon_ph/ifconstants.mod +include/qe/qe_phonon_ph/io_dyn_mat.mod +include/qe/qe_phonon_ph/ldau_ph.mod +include/qe/qe_phonon_ph/modes.mod +include/qe/qe_phonon_ph/modes1.mod +include/qe/qe_phonon_ph/nc_mag_aux.mod +include/qe/qe_phonon_ph/nlcc_ph.mod +include/qe/qe_phonon_ph/output.mod +include/qe/qe_phonon_ph/partial.mod +include/qe/qe_phonon_ph/ph_restart.mod +include/qe/qe_phonon_ph/phcom.mod +include/qe/qe_phonon_ph/phon.mod +include/qe/qe_phonon_ph/phunits.mod +include/qe/qe_phonon_ph/phus.mod +include/qe/qe_phonon_ph/ramanm.mod +include/qe/qe_phonon_ph/recover_mod.mod +include/qe/qe_phonon_ph/rigid.mod +include/qe/qe_phonon_ph/save_ph.mod +include/qe/qe_phonon_ph/sym_def_module.mod +include/qe/qe_phonon_ph/symmetry.mod +include/qe/qe_phonon_ph/term_one_1_module.mod +include/qe/qe_phonon_ph/term_one_module.mod +include/qe/qe_phonon_ph/term_three_1_module.mod +include/qe/qe_phonon_ph/term_three_module.mod +include/qe/qe_phonon_ph/units_ph.mod +include/qe/qe_phonon_ph/write_hub.mod +include/qe/qe_phonon_ph/yambo.mod +include/qe/qe_pp/adduscore.mod +include/qe/qe_pp/atproj.mod +include/qe/qe_pp/chdens_module.mod +include/qe/qe_pp/eps_writer.mod +include/qe/qe_pp/fermi_proj_routines.mod +include/qe/qe_pp/fermisurfer_common.mod +include/qe/qe_pp/fft_interpolation_mod.mod +include/qe/qe_pp/fs.mod +include/qe/qe_pp/grid_module.mod +include/qe/qe_pp/paw_postproc.mod +include/qe/qe_pp/paw_postproc_.mod +include/qe/qe_pp/pp_module.mod +include/qe/qe_pp/projections.mod +include/qe/qe_pp/projections_ldos.mod +include/qe/qe_pp/read_proj.mod +include/qe/qe_pp/smearing_mod.mod +include/qe/qe_pp/vasp_read_chgcar.mod +include/qe/qe_pp/vasp_xml.mod +include/qe/qe_pp/vdw_df_scale.mod +include/qe/qe_pp/wannier.mod +include/qe/qe_pw/a2f.mod +include/qe/qe_pw/acfdt_ener.mod +include/qe/qe_pw/add_dmft_occ.mod +include/qe/qe_pw/basis.mod +include/qe/qe_pw/beef.mod +include/qe/qe_pw/bp.mod +include/qe/qe_pw/buffers.mod +include/qe/qe_pw/buiol.mod +include/qe/qe_pw/cellmd.mod +include/qe/qe_pw/coul_cut_2d.mod +include/qe/qe_pw/d3hess_mod.mod +include/qe/qe_pw/dfunct.mod +include/qe/qe_pw/dfunct_gpum.mod +include/qe/qe_pw/dynamics_module.mod +include/qe/qe_pw/ener.mod +include/qe/qe_pw/environ_pw_module.mod +include/qe/qe_pw/esm.mod +include/qe/qe_pw/esm_common_mod.mod +include/qe/qe_pw/esm_ewald_mod.mod +include/qe/qe_pw/esm_force_mod.mod +include/qe/qe_pw/esm_hartree_mod.mod +include/qe/qe_pw/esm_local_mod.mod +include/qe/qe_pw/esm_stres_mod.mod +include/qe/qe_pw/extfield.mod +include/qe/qe_pw/extrapolation.mod +include/qe/qe_pw/exx.mod +include/qe/qe_pw/exx_band.mod +include/qe/qe_pw/exx_base.mod +include/qe/qe_pw/fcp_dynamics.mod +include/qe/qe_pw/fcp_module.mod +include/qe/qe_pw/fcp_relaxation.mod +include/qe/qe_pw/fixed_occ.mod +include/qe/qe_pw/force_mod.mod +include/qe/qe_pw/g_psi_mod.mod +include/qe/qe_pw/g_psi_mod_gpum.mod +include/qe/qe_pw/gcscf_module.mod +include/qe/qe_pw/io_rho_xml.mod +include/qe/qe_pw/klist.mod +include/qe/qe_pw/ktetra.mod +include/qe/qe_pw/ldau.mod +include/qe/qe_pw/loc_scdm.mod +include/qe/qe_pw/loc_scdm_k.mod +include/qe/qe_pw/lsda_mod.mod +include/qe/qe_pw/martyna_tuckerman.mod +include/qe/qe_pw/paw_exx.mod +include/qe/qe_pw/paw_init.mod +include/qe/qe_pw/paw_onecenter.mod +include/qe/qe_pw/paw_symmetry.mod +include/qe/qe_pw/pw2blip.mod +include/qe/qe_pw/pw_interfaces.mod +include/qe/qe_pw/pw_restart_new.mod +include/qe/qe_pw/pwcom.mod +include/qe/qe_pw/rap_point_group.mod +include/qe/qe_pw/rap_point_group_is.mod +include/qe/qe_pw/rap_point_group_so.mod +include/qe/qe_pw/realus.mod +include/qe/qe_pw/relax.mod +include/qe/qe_pw/rism_module.mod +include/qe/qe_pw/scf.mod +include/qe/qe_pw/scf_gpum.mod +include/qe/qe_pw/sci_mod.mod +include/qe/qe_pw/sic_mod.mod +include/qe/qe_pw/start_k.mod +include/qe/qe_pw/symm_base.mod +include/qe/qe_pw/symme.mod +include/qe/qe_pw/two_chem.mod +include/qe/qe_pw/us_exx.mod +include/qe/qe_pw/uspp_init.mod +include/qe/qe_pw/vlocal.mod +include/qe/qe_pw/wvfct.mod +include/qe/qe_pw/wvfct_gpum.mod +include/qe/qe_pw/xdm_module.mod +include/qe/qe_pwcond_exe/cb_cond.mod +include/qe/qe_pwcond_exe/cond.mod +include/qe/qe_pwcond_exe/cond_files.mod +include/qe/qe_pwcond_exe/cond_restart.mod +include/qe/qe_pwcond_exe/control_cond.mod +include/qe/qe_pwcond_exe/eigen_cond.mod +include/qe/qe_pwcond_exe/geomcell_cond.mod +include/qe/qe_pwcond_exe/orbcell_cond.mod +include/qe/qe_pwcond_exe/realus_scatt.mod +include/qe/qe_pwcond_exe/scattnl_cond.mod +include/qe/qe_tddfpt/charg_resp.mod +include/qe/qe_tddfpt/environ_td_module.mod +include/qe/qe_tddfpt/linear_solvers.mod +include/qe/qe_tddfpt/lr_dav_debug.mod +include/qe/qe_tddfpt/lr_dav_routines.mod +include/qe/qe_tddfpt/lr_dav_variables.mod +include/qe/qe_tddfpt/lr_exx_kernel.mod +include/qe/qe_tddfpt/lr_lanczos.mod +include/qe/qe_tddfpt/lr_magnons_routines.mod +include/qe/qe_tddfpt/lr_sternheimer.mod +include/qe/qe_tddfpt/lr_us.mod +include/qe/qe_tddfpt/lr_variables.mod +include/qe/qe_tddfpt/paw_add_symmetry.mod +include/qe/qe_utilx/clib_wrappers.mod +include/qe/qe_utilx/data_buffer.mod +include/qe/qe_utilx/error_handler.mod +include/qe/qe_utilx/fletcher32_mod.mod +include/qe/qe_utilx/mp.mod +include/qe/qe_utilx/mp_bands_util.mod +include/qe/qe_utilx/mytime.mod +include/qe/qe_utilx/nvtx.mod +include/qe/qe_utilx/parallel_include.mod +include/qe/qe_utilx/util_param.mod +include/qe/qe_utilx_tests/mp_world.mod +include/qe/qe_utilx_tests/tester.mod +include/qe/qe_wannier90/w90_berry.mod +include/qe/qe_wannier90/w90_boltzwann.mod +include/qe/qe_wannier90/w90_comms.mod +include/qe/qe_wannier90/w90_constants.mod +include/qe/qe_wannier90/w90_conv.mod +include/qe/qe_wannier90/w90_disentangle.mod +include/qe/qe_wannier90/w90_dos.mod +include/qe/qe_wannier90/w90_geninterp.mod +include/qe/qe_wannier90/w90_get_oper.mod +include/qe/qe_wannier90/w90_gyrotropic.mod +include/qe/qe_wannier90/w90_hamiltonian.mod +include/qe/qe_wannier90/w90_io.mod +include/qe/qe_wannier90/w90_kmesh.mod +include/qe/qe_wannier90/w90_kpath.mod +include/qe/qe_wannier90/w90_kslice.mod +include/qe/qe_wannier90/w90_overlap.mod +include/qe/qe_wannier90/w90_parameters.mod +include/qe/qe_wannier90/w90_plot.mod +include/qe/qe_wannier90/w90_postw90_common.mod +include/qe/qe_wannier90/w90_sitesym.mod +include/qe/qe_wannier90/w90_spin.mod +include/qe/qe_wannier90/w90_transport.mod +include/qe/qe_wannier90/w90_utility.mod +include/qe/qe_wannier90/w90_wan_ham.mod +include/qe/qe_wannier90/w90_wannierise.mod +include/qe/qe_wannier90/w90_ws_distance.mod +include/qe/qe_xclib/beef_interface.mod +include/qe/qe_xclib/constants_l.mod +include/qe/qe_xclib/corr_gga.mod +include/qe/qe_xclib/corr_lda.mod +include/qe/qe_xclib/dft_setting_params.mod +include/qe/qe_xclib/dft_setting_routines.mod +include/qe/qe_xclib/exch_gga.mod +include/qe/qe_xclib/exch_lda.mod +include/qe/qe_xclib/kind_l.mod +include/qe/qe_xclib/metagga.mod +include/qe/qe_xclib/qe_dft_list.mod *** 393 LINES SKIPPED ***
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?202403160805.42G85bhk036612>