science/octopus: Update 10.5 -> 11.3

science/octopus/Makefile

@@ -1,6 +1,5 @@
 PORTNAME=	octopus
-DISTVERSION=	10.5
-PORTREVISION=	1
+DISTVERSION=	11.3
 CATEGORIES=	science
 MASTER_SITES=	https://octopus-code.org/download/${DISTVERSION}/
 
@@ -16,8 +15,10 @@ LIB_DEPENDS=	libarpack.so:math/arpack-ng \
 		libfontconfig.so:x11-fonts/fontconfig \
 		libfreetype.so:print/freetype2 \
 		libgd.so:graphics/gd \
+		libgmp.so:math/gmp \
 		libgsl.so:math/gsl \
 		liblapack.so:math/lapack \
+		libmpfr.so:math/mpfr \
 		libnlopt.so:math/nlopt \
 		libpng.so:graphics/png \
 		libsymspg.so:science/spglib \
@@ -27,15 +28,22 @@ LIB_DEPENDS=	libarpack.so:math/arpack-ng \
 		libxc.so:science/libxc \
 		libyaml.so:textproc/libyaml
 
-USES=		compiler:c++11-lang fortran gmake jpeg localbase:ldflags perl5 python shebangfix
+USES=		compiler:c++11-lang fortran gmake jpeg libtool localbase:ldflags perl5 python shebangfix
+USE_CXXSTD=	c++11
+USE_LDCONFIG=	yes
+
 SHEBANG_FILES=	src/fdep/fortran_dependencies.pl testsuite/performance/create_combinations.py
+
 GNU_CONFIGURE=	yes
 CONFIGURE_SHELL=	${PREFIX}/bin/bash
-USE_CXXSTD=	c++11
+CONFIGURE_ARGS=	--enable-shared --disable-static
 
 LDFLAGS+=	-lsymspg
 FCFLAGS+=	-I${LOCALBASE}/include -ffree-line-length-none
 
+INSTALL_TARGET=	install-strip
+TEST_TARGET=	check-short # tests fail: https://gitlab.com/octopus-code/octopus/-/issues/536
+
 OPTIONS_DEFINE=			OPENMP
 OPTIONS_DEFAULT=		OPENMP
 OPENMP_CONFIGURE_ENABLE=	openmp

science/octopus/distinfo

@@ -1,3 +1,3 @@
-TIMESTAMP = 1628473189
-SHA256 (octopus-10.5.tar.gz) = deb92e3491b0c6ac5736960d075b44cab466f528b69715ed44968ecfe2953ec4
-SIZE (octopus-10.5.tar.gz) = 51075259
+TIMESTAMP = 1641425551
+SHA256 (octopus-11.3.tar.gz) = 0c98417071b5e38ba6cbdd409adf917837c387a010e321c0a7f94d9bd9478930
+SIZE (octopus-11.3.tar.gz) = 51465860

science/octopus/files/patch-configure

@@ -1,9 +1,9 @@
---- configure.orig	2019-01-19 22:21:03 UTC
+--- configure.orig	2021-11-25 13:43:40 UTC
 +++ configure
-@@ -900,7 +900,7 @@ CPP
- FC
- FCFLAGS
- FCCPP'
+@@ -955,7 +955,7 @@ FCFLAGS
+ FCCPP
+ LT_SYS_LIBRARY_PATH
+ CXXCPP'
 -ac_subdirs_all='external_libs/spglib-1.9.9'
 +ac_subdirs_all=''
 

science/octopus/files/patch-src_Makefile.in

@@ -1,34 +1,34 @@
---- src/Makefile.in.orig	2020-10-13 04:32:13 UTC
+--- src/Makefile.in.orig	2021-11-25 13:43:43 UTC
 +++ src/Makefile.in
-@@ -269,7 +269,6 @@ oct_casida_spectrum_OBJECTS = $(am_oct_casida_spectrum
+@@ -192,7 +192,6 @@ LTLIBRARIES = $(lib_LTLIBRARIES)
  am__DEPENDENCIES_1 =
- @COMPILE_OPENCL_TRUE@am__DEPENDENCIES_2 = $(top_builddir)/external_libs/fortrancl/libfortrancl.a
- am__DEPENDENCIES_3 = $(top_builddir)/external_libs/qshep/libqshep.a \
--	$(top_builddir)/external_libs/spglib-1.9.9/src/libsymspg.a \
- 	$(top_builddir)/external_libs/bpdn/libbpdn.a \
- 	$(top_builddir)/external_libs/dftd3/libdftd3.a \
+ @COMPILE_OPENCL_TRUE@am__DEPENDENCIES_2 = $(top_builddir)/external_libs/fortrancl/libfortrancl.la
+ am__DEPENDENCIES_3 = $(top_builddir)/external_libs/qshep/libqshep.la \
+-	$(top_builddir)/external_libs/spglib-1.9.9/src/libsymspg.la \
+ 	$(top_builddir)/external_libs/bpdn/libbpdn.la \
+ 	$(top_builddir)/external_libs/dftd3/libdftd3.la \
  	$(am__DEPENDENCIES_2) $(am__append_3) $(am__append_5)
-@@ -852,7 +851,6 @@ top_srcdir = @top_srcdir@
+@@ -847,7 +846,6 @@ top_srcdir = @top_srcdir@
  # we should not have libyaml here if we used an external one...
  FCFLAGS_MODS = @F90_MODULE_FLAG@$(top_builddir)/external_libs/bpdn \
  	@F90_MODULE_FLAG@$(top_builddir)/external_libs/dftd3 \
 -	@F90_MODULE_FLAG@$(top_builddir)/external_libs/spglib-1.9.9/src/ \
  	@FCFLAGS_LIBXC@ @FCFLAGS_PSPIO@ @FCFLAGS_PSOLVER@ \
  	@FCFLAGS_ISF@ @FCFLAGS_FUTILE@ @FCFLAGS_FFTW@ @FCFLAGS_PFFT@ \
  	@FCFLAGS_PNFFT@ @FCFLAGS_NETCDF@ @FCFLAGS_ETSF_IO@ \
-@@ -861,7 +859,6 @@ FCFLAGS_MODS = @F90_MODULE_FLAG@$(top_builddir)/extern
- 	$(am__append_2)
+@@ -856,7 +854,6 @@ FCFLAGS_MODS = @F90_MODULE_FLAG@$(top_builddir)/extern
+ 	@FCFLAGS_DFTBPLUS@ $(am__append_2)
  AM_CPPFLAGS = -I$(top_srcdir)/src/include \
  	-I$(top_builddir)/src/include \
 -	-I$(top_srcdir)/external_libs/spglib-1.9.9/src \
  	-I$(top_srcdir)/liboct_parser $(GSL_CFLAGS) $(GD_CFLAGS) \
  	@METIS_CFLAGS@ @PARMETIS_CFLAGS@ @CFLAGS_NFFT@ @CFLAGS_FFTW@ \
- 	@CFLAGS_CUDA@ -DSHARE_DIR='"$(pkgdatadir)"' $(am__append_4)
-@@ -881,7 +878,6 @@ core_LIBS = \
+ 	@CFLAGS_CUDA@ @CGAL_CPPFLAGS@ -DSHARE_DIR='"$(pkgdatadir)"' \
+@@ -877,7 +874,6 @@ core_LIBS = \
  	@GSL_LIBS@ @LIBS_LIBXC@ @FCEXTRALIBS@
 
- external_LIBS = $(top_builddir)/external_libs/qshep/libqshep.a \
--	$(top_builddir)/external_libs/spglib-1.9.9/src/libsymspg.a \
- 	$(top_builddir)/external_libs/bpdn/libbpdn.a \
- 	$(top_builddir)/external_libs/dftd3/libdftd3.a $(am__append_1) \
- 	$(am__append_3) $(am__append_5)
+ external_LIBS = $(top_builddir)/external_libs/qshep/libqshep.la \
+-	$(top_builddir)/external_libs/spglib-1.9.9/src/libsymspg.la \
+ 	$(top_builddir)/external_libs/bpdn/libbpdn.la \
+ 	$(top_builddir)/external_libs/dftd3/libdftd3.la \
+ 	$(am__append_1) $(am__append_3) $(am__append_5)