science/quantum-espresso: update 6.7.0 → 7.3.1

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
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+share/GUI/QE-modes/qe-modes.templates/card-noflags.el.tcl
+share/GUI/QE-modes/qe-modes.templates/card.el.tcl
+share/GUI/QE-modes/qe-modes.templates/cp.in
+share/GUI/QE-modes/qe-modes.templates/dos.in
+share/GUI/QE-modes/qe-modes.templates/dynmat.in
+share/GUI/QE-modes/qe-modes.templates/header.el.tcl
+share/GUI/QE-modes/qe-modes.templates/insert-template.el.tcl
+share/GUI/QE-modes/qe-modes.templates/ld1.in
+share/GUI/QE-modes/qe-modes.templates/namelist.el.tcl
+share/GUI/QE-modes/qe-modes.templates/neb.in
+share/GUI/QE-modes/qe-modes.templates/ph.in
+share/GUI/QE-modes/qe-modes.templates/pp.in
+share/GUI/QE-modes/qe-modes.templates/projwfc.in
+share/GUI/QE-modes/qe-modes.templates/pw.in
+share/GUI/QE-modes/qe-modes.templates/pwtk-mode.el.tcl
+share/GUI/QE-modes/qe-modes.templates/qe-all-modes.el
+share/GUI/QE-modes/qe-modes.templates/qe-all-modes.el.tcl
+share/GUI/QE-modes/qe-modes.templates/qe-funcs.el.tcl
+share/GUI/QE-modes/qe-modes.templates/qe-mode.el.tcl
+share/GUI/QE-modes/qe-modes.templates/qe-modes.el.tcl
+share/GUI/QE-modes/qe-modes.templates/stringvar.el.tcl
+share/GUI/QE-modes/qe-modes.templates/supercard-open.el.tcl
+share/GUI/QE-modes/qe-modes.templates/supercard.el.tcl
+share/GUI/QE-modes/qe-modes.templates/var.el.tcl
+share/GUI/QE-modes/qe-modes/cp-mode.el
+share/GUI/QE-modes/qe-modes/ld1-mode.el
+share/GUI/QE-modes/qe-modes/neb-mode.el
+share/GUI/QE-modes/qe-modes/ph-mode.el
+share/GUI/QE-modes/qe-modes/pp-mode.el
+share/GUI/QE-modes/qe-modes/pw-mode.el
+share/GUI/QE-modes/qe-modes/pwtk-mode.el
+share/GUI/QE-modes/qe-modes/qe-funcs.el
+share/GUI/QE-modes/qe-modes/qe-mode.el
+share/GUI/QE-modes/qe-modes/qe-modes.el
+share/GUI/README
+@dir include/qe/qe_couple
+@dir include/qe/qe_device_lapack
+@dir include/qe/qe_qeheat_exe