science/fleur: update 8.0 → 8.1

The latest wannier90 release isn't compatible with this
fleur release so it was switched to the submodule with
the older wannier90 lib.

3 files changed, 77 insertions, 27 deletions

diff --git a/science/fleur/Makefile b/science/fleur/Makefile
index 67c088aedafc..c5b57b33f8d3 100644
--- a/science/fleur/Makefile
+++ b/science/fleur/Makefile
@@ -1,72 +1,98 @@
 PORTNAME=	fleur
-DISTVERSION=	8.0
-PORTREVISION=	1
+DISTVERSION=	8.1
 CATEGORIES=	science # chemistry
+#MASTER_SITES=	https://iffgit.fz-juelich.de/fleur/fleur/-/archive/MaX-R${DISTVERSION}/
+MASTER_SITES=	LOCAL/yuri # same as unversioned tarball linked from https://www.flapw.de/master/downloads/#download-via-configure-script: it only downloads from a browser, and fails with fetch/wget
+DISTFILES=	${DISTNAME}${EXTRACT_SUFX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	FLAPW code for atomic computations in quantum chemistry and physics
-WWW=		https://www.flapw.de/master/
+WWW=		https://www.flapw.de/master/ \
+		https://iffgit.fz-juelich.de/fleur/fleur
 
 LICENSE=	MIT
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
-BROKEN_aarch64=	Fatal Error: Cannot find an intrinsic module named 'ieee_arithmetic' at (1)
+BROKEN_aarch64=	fatal error: cannot find an intrinsic module named 'ieee_arithmetic' at (1)
 
 LIB_DEPENDS=	libfftw3.so:math/fftw3 \
 		libhdf5.so:science/hdf5 \
 		liblapack.so:math/lapack \
 		libopenblas.so:math/openblas
 TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pytest-html>0:devel/py-pytest-html@${PY_FLAVOR}
 
-USES=		cmake:noninja fortran gnome localbase:ldflags python:test tar:tgz
+USES=		cmake:noninja fortran gnome localbase:ldflags python:test
 USE_GNOME=	libxml2
 
-USE_GITLAB=	yes
-GL_SITE=	https://iffgit.fz-juelich.de
-GL_TAGNAME=	37fc75f41f56787c99e7635a2f7a909a6488a1e9
+#USE_GITLAB=	yes
+#GL_SITE=	https://iffgit.fz-juelich.de
+#GL_TAGNAME=	6960e037c34e5b704cd79718ec34c7147ccbf06a16fef397c7e3316f47e99a39
 
-FFLAGS=		-I${LOCALBASE}/include
-LDFLAGS+=	-llapack -lopenblas -lxml2 # to fix missing symbols, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/670
+USE_GITHUB=	nodefault
+GH_TUPLE=	wannier-developers:wannier90:v3.1.0:wannier90/external/wannier90/src
+
+WRKSRC=		${WRKDIR}/fleur-release
 
-OPTIONS_DEFINE=		HDF5 KPLIB MPI SCALAPACK ELPA LIBXC WANNIER
-OPTIONS_DEFAULT=	MPI SCALAPACK ELPA WANNIER # HDF5 KPLIB LIBXC
+OPTIONS_DEFINE=		HDF5 KPLIB MPI SCALAPACK ELPA LIBXC #WANNIER WANNIER exernal wannier90 is not compatible and is replaced with submodule
+OPTIONS_DEFAULT=	MPI SCALAPACK ELPA #WANNIER # HDF5 KPLIB LIBXC
 
 HDF5_CMAKE_BOOL=	CLI_FLEUR_USE_HDF5
 HDF5_CMAKE_ON=		-DHDF5_INCLUDE_DIRS=${LOCALBASE}/include
 HDF5_LIB_DEPENDS=	libhdf5.so:science/hdf5
-HDF5_BROKEN=		Missing hdf5.mod in hdf5 # hdf5 doesn't include Fortran binding
+HDF5_BROKEN=		missing hdf5.mod in hdf5 # hdf5 doesn't include Fortran binding
 
 KPLIB_DESC=		Use kpLib library
 #KPLIB_CMAKE_BOOL=	CLI_FLEUR_USE_KPLIB
 KPLIB_DEPENDS=		libkplib.so:science/kplib
-KPLIB_BROKEN=		Fails to find the pre-installed libkplib.so library, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/691
+KPLIB_BROKEN=		fails to find the pre-installed libkplib.so library, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/691
 
 MPI_CMAKE_BOOL=		CLI_FLEUR_USE_MPI
 MPI_LDFLAGS=		-lmpich -lmpifort
 MPI_LIB_DEPENDS=	libmpich.so:net/mpich
-MPI_VARS=		SUFFIX=_MPI
 
 SCALAPACK_DESC=		Use the ScaLAPACK Scalable LAPACK library
-SCALAPACK_CMAKE_BOOL=	FLEUR_USE_SCALAPACK # no such variable, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/692, it works only through LDFLAGS set below
-SCALAPACK_VARS=		FFLAGS+=-fallow-argument-mismatch
+SCALAPACK_CMAKE_BOOL=	FLEUR_USE_SCALAPACK # no such variable, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/692, it works only through FLEUR_LIBRARIES set below
 SCALAPACK_LDFLAGS=	-lscalapack
 SCALAPACK_LIB_DEPENDS=	libscalapack.so:math/scalapack
 SCALAPACK_IMPLIES=	MPI
 
 ELPA_DESC=		Use libelpa, Eigenvalue SoLver for Petaflop Applications
-ELPA_CMAKE_BOOL=	FLEUR_USE_ELPA # no such variable, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/689, it works only through FFLAGS set below
-ELPA_VARS=		FFLAGS+=-I${LOCALBASE}/include/elpa-2021.11.001/modules
+ELPA_CMAKE_BOOL=	FLEUR_USE_ELPA # no such variable, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/689, it works only through FLEUR_LIBRARIES set below
 ELPA_LDFLAGS=		-lelpa
 ELPA_LIB_DEPENDS=	libelpa.so:math/elpa
 
 LIBXC_DESC=		Use libxc library
 LIBXC_CMAKE_BOOL=	CLI_FLEUR_USE_LIBXC
 LIBXC_LIB_DEPENDS=	libxc.so:science/libxc
-LIBXC_BROKEN=		Silently links with libxc when CLI_FLEUR_USE_LIBXC=OFF, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/690
+LIBXC_BROKEN=		silently links with libxc when CLI_FLEUR_USE_LIBXC=OFF, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/690
+
+#WANNIER_DESC=		Use Wannier library
+#WANNIER_CMAKE_BOOL=	CLI_FLEUR_USE_WANNIER
+#WANNIER_LIB_DEPENDS=	libwannier90.so:science/wannier90
 
-WANNIER_DESC=		Use Wannier library
-WANNIER_CMAKE_BOOL=	CLI_FLEUR_USE_WANNIER
-WANNIER_LIB_DEPENDS=	libwannier.so:science/wannier90
+.include <bsd.port.options.mk>
+
+FFLAGS=			-I${LOCALBASE}/include
+FLEUR_LIBRARIES=		-L${LOCALBASE}/lib;-ldl;-lfftw3;-lxml2;-llapack;-lopenblas
+.if ${PORT_OPTIONS:MMPI}
+SUFFIX=			_MPI
+FLEUR_LIBRARIES:=	${FLEUR_LIBRARIES};-lmpich;-lmpifort
+.endif
+.if ${PORT_OPTIONS:MSCALAPACK}
+FFLAGS+=		-fallow-argument-mismatch
+FLEUR_LIBRARIES:=	${FLEUR_LIBRARIES};-lscalapack
+.endif
+.if ${PORT_OPTIONS:MELPA}
+FFLAGS+=		-I${LOCALBASE}/include/elpa-2021.11.001/modules
+FLEUR_LIBRARIES:=	${FLEUR_LIBRARIES};-lelpa
+.endif
+#.if ${PORT_OPTIONS:MWANNIER}
+#FLEUR_LIBRARIES:=	${FLEUR_LIBRARIES};-lwannier90
+#.endif
+
+CMAKE_ARGS=	-DFLEUR_LIBRARIES:STRING="${FLEUR_LIBRARIES}"
+LDFLAGS+=	-llapack -lopenblas -lxml2 # to fix missing symbols, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/670
 
 EXECUTABLES=	bin/fleur${SUFFIX} \
 		bin/inpgen
@@ -82,6 +108,6 @@ do-test:
 	# was: 9 testcases are known to fail, see https://iffgit.fz-juelich.de/fleur/fleur/-/issues/671
 	@cd ${WRKSRC}/testing && pytest tests --build_dir=${TEST_WRKSRC}
 
-# tests fail to run: INTERNALERROR> pluggy._manager.PluginValidationError: unknown hook 'pytest_html_report_title' in plugin <module 'conftest' from '/usr/ports/science/fleur/work/fleur-447eed3b7ec3de5fcdfbd232cd1eda4caefb51d3/testing/conftest.py'>
+# tests as of 8.1: 54 passed, 1 skipped, 24 deselected, 2 warnings in 249.24s (0:04:09)
 
 .include <bsd.port.mk>
diff --git a/science/fleur/distinfo b/science/fleur/distinfo
index 37eeba16a5dd..326c777e0114 100644
--- a/science/fleur/distinfo
+++ b/science/fleur/distinfo
@@ -1,3 +1,5 @@
-TIMESTAMP = 1776702279
-SHA256 (fleur-fleur-37fc75f41f56787c99e7635a2f7a909a6488a1e9_GL0.tar.gz) = 8da19e0fe4156028517b5711826635dc73eb921c84731bfa6b7cf55299a8ec42
-SIZE (fleur-fleur-37fc75f41f56787c99e7635a2f7a909a6488a1e9_GL0.tar.gz) = 36732297
+TIMESTAMP = 1786047963
+SHA256 (fleur-8.1.tar.gz) = e800d11d63be68fd45a6a9568866536fd6ffb6d0cd734ce22917908ad9da6245
+SIZE (fleur-8.1.tar.gz) = 36142137
+SHA256 (wannier-developers-wannier90-v3.1.0_GH0.tar.gz) = 40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254
+SIZE (wannier-developers-wannier90-v3.1.0_GH0.tar.gz) = 101211573
diff --git a/science/fleur/files/patch-cmake_tests_test__Wannier90.cmake b/science/fleur/files/patch-cmake_tests_test__Wannier90.cmake
new file mode 100644
index 000000000000..f5c52fdf88a3
--- /dev/null
+++ b/science/fleur/files/patch-cmake_tests_test__Wannier90.cmake
@@ -0,0 +1,22 @@
+--- cmake/tests/test_Wannier90.cmake.orig	2026-04-28 12:13:48 UTC
++++ cmake/tests/test_Wannier90.cmake
+@@ -1,9 +1,10 @@
+ #first try if Wannier90 already works
++if (FALSE) # disable search for wannier90 library because latest version isn't compatible with FLEUR
+ try_compile(FLEUR_USE_WANN ${CMAKE_BINARY_DIR} ${CMAKE_SOURCE_DIR}/cmake/tests/test_Wannier90.f90
+ 	    LINK_LIBRARIES ${FLEUR_LIBRARIES}
+             )
+ set(FLEUR_WANNIER90_LIBRARIES ${FLEUR_LIBRARIES}) 
+-foreach(ADD_String "-lwannier" )
++foreach(ADD_String "-lwannier90" )
+    if (NOT FLEUR_USE_WANN)
+      set(TEST_LIBRARIES "${ADD_String};${FLEUR_LIBRARIES}")
+ 
+@@ -21,6 +22,7 @@ message("Wannier90 1.2 Library found:${FLEUR_USE_WANN}
+ endforeach()
+ 
+ message("Wannier90 1.2 Library found:${FLEUR_USE_WANN}")
++endif() # disable search for wannier90 library because latest version isn't compatible with FLEUR
+ 
+ if (DEFINED CLI_FLEUR_USE_WANNIER)
+    if (CLI_FLEUR_USE_WANNIER)