Date: Sat, 24 Apr 2021 01:58:33 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: dc08439c74fe - main - science/libgridxc: Update 0.8.5 -> 0.9.6 Message-ID: <202104240158.13O1wXHu083758@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=dc08439c74fe5e15923afdfb03210f06b16f3ce0 commit dc08439c74fe5e15923afdfb03210f06b16f3ce0 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2021-04-24 01:27:32 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2021-04-24 01:36:22 +0000 science/libgridxc: Update 0.8.5 -> 0.9.6 Project moved to GitLab. --- science/libgridxc/Makefile | 61 +++++++------------------ science/libgridxc/distinfo | 6 +-- science/libgridxc/files/patch-build.sh | 33 -------------- science/libgridxc/files/patch-gridxc.mk.in | 17 ------- science/libgridxc/files/patch-makefile | 63 -------------------------- science/libgridxc/files/patch-top.gridxc.mk.in | 33 -------------- science/libgridxc/pkg-descr | 2 +- science/libgridxc/pkg-plist | 29 ++++++------ 8 files changed, 37 insertions(+), 207 deletions(-) diff --git a/science/libgridxc/Makefile b/science/libgridxc/Makefile index 4104bac9cf02..dd33c257b95c 100644 --- a/science/libgridxc/Makefile +++ b/science/libgridxc/Makefile @@ -1,63 +1,36 @@ PORTNAME= libgridxc -DISTVERSION= 0.8.5 -PORTREVISION= 3 +DISTVERSION= 0.9.6 CATEGORIES= science -MASTER_SITES= https://launchpad.net/${PORTNAME}/trunk/${DISTVERSION:R}/+download/ +MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${PORTNAME}-${DISTVERSION}/ +DISTNAME= ${PORTNAME}-${PORTNAME}-${DISTVERSION} MAINTAINER= yuri@FreeBSD.org COMMENT= Library to compute the exchange and correlation energy and potentials LICENSE= BSD3CLAUSE -LICENSE_FILE= ${WRKSRC}/../BSD_LICENSE +LICENSE_FILE= ${WRKSRC}/COPYING -USES= fortran gmake tar:tgz +USES= autoreconf fortran gmake libtool USE_LDCONFIG= yes -MAKEFILE= makefile -ALL_TARGET= default +GNU_CONFIGURE= yes -WRKSRC_SUBDIR= src - -BUILD_WRKSRC= ${WRKSRC}/../build -TMP_STAGEDIR= ${WRKDIR}/tmp_stage -MAKE_ENV= INSTALL_DIR=${TMP_STAGEDIR}${PREFIX} FREEBSD_LOCALBASE=${LOCALBASE} LIBXC_ROOT=${LOCALBASE} - -BINARY_ALIAS= make=${GMAKE} +INSTALL_TARGET= install-strip OPTIONS_DEFINE= MPI LIBXC -OPTIONS_DEFAULT= MPI # LIBXC +OPTIONS_DEFAULT= # MPI LIBXC -MPI_MAKE_ENV= WITH_MPI=1 +MPI_USES= localbase:ldflags +MPI_CONFIGURE_WITH= mpi=${LOCALBASE} +MPI_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lmpifort" +MPI_LDFLAGS= -lmpich MPI_LIB_DEPENDS= libmpich.so:net/mpich +MPI_BROKEN= https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/15 LIBXC_DESC= Use libxc for exchange-correlation functionals for DFT -LIBXC_MAKE_ENV= WITH_LIBXC=1 +LIBXC_CONFIGURE_WITH= libxc=${LOCALBASE} +LIBXC_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90" LIBXC_LIB_DEPENDS= libxc.so:science/libxc -LIBXC_BROKEN= Fails to build with libxc-5.0.0: https://bugs.launchpad.net/libgridxc/+bug/1899578 - -.include <bsd.port.pre.mk> - -.if ${GCC_DEFAULT} >= 10 -BROKEN= fails to build with GCC 10: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). -.endif - -post-patch: - @${MKDIR} ${BUILD_WRKSRC} - @${CAT} ${WRKSRC}/../extra/fortran.mk \ - | ${SED} '\ - s|FC_SERIAL=gfortran|&${GCC_DEFAULT}|; \ - s|FFLAGS= -O2|& -fPIC|' \ - > ${BUILD_WRKSRC}/fortran.mk - -do-configure: - @cd ${BUILD_WRKSRC} && ${SETENV} ${CONFIGURE_ENV} ${SH} ../src/config.sh - -do-build: - @cd ${BUILD_WRKSRC} && ${MKDIR} ${TMP_STAGEDIR} && ${SETENV} ${MAKE_ENV} ${SH} ../src/build.sh - -do-install: - cd ${TMP_STAGEDIR} && ${COPYTREE_SHARE} . ${STAGEDIR} - ${MKDIR} ${STAGEDIR}${PREFIX}/share/mk && ${MV} ${STAGEDIR}${PREFIX}/*.mk ${STAGEDIR}${PREFIX}/share/mk - ${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/libGridXC.so +LIBXC_BROKEN= https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/16 -.include <bsd.port.post.mk> +.include <bsd.port.mk> diff --git a/science/libgridxc/distinfo b/science/libgridxc/distinfo index 97af0096858c..8d5f7baeaa2a 100644 --- a/science/libgridxc/distinfo +++ b/science/libgridxc/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1550370035 -SHA256 (libgridxc-0.8.5.tgz) = 66192e2d3379677d6687510915d7b24ffefeec96899b0bbf2adeec63a1d83c26 -SIZE (libgridxc-0.8.5.tgz) = 224157 +TIMESTAMP = 1619224742 +SHA256 (libgridxc-libgridxc-0.9.6.tar.gz) = 3b89ccc02d65729ea2d7cb291ae1d9b53acd65c1fd144e8846362cffb71b114a +SIZE (libgridxc-libgridxc-0.9.6.tar.gz) = 278448 diff --git a/science/libgridxc/files/patch-build.sh b/science/libgridxc/files/patch-build.sh deleted file mode 100644 index 51f5f019a5da..000000000000 --- a/science/libgridxc/files/patch-build.sh +++ /dev/null @@ -1,33 +0,0 @@ ---- build.sh.orig 2018-11-01 22:36:58 UTC -+++ build.sh -@@ -40,14 +40,16 @@ - # - # - # Set to "." if empty or unset --inPREFIX=${PREFIX:-.} -+inPREFIX=${INSTALL_DIR} - # - # Build first without MPI - # --echo "==> make WITH_LIBXC=${WITH_LIBXC} WITH_MPI= PREFIX=${inPREFIX}/serial" --sleep 1 --make clean --make WITH_LIBXC=${WITH_LIBXC} WITH_MPI= PREFIX=${inPREFIX}/serial -+if [ "${WITH_MPI}" = "" ] -+then -+ echo "==> make WITH_LIBXC=${WITH_LIBXC} WITH_MPI= PREFIX=${inPREFIX}/serial" -+ make clean -+ make WITH_LIBXC=${WITH_LIBXC} WITH_MPI= PREFIX=${inPREFIX}/serial -+fi - # - # Install the top-level gridxc.mk - # -@@ -63,7 +66,7 @@ fi - if [ "${WITH_MPI}" != "" ] - then - echo "==> make WITH_LIBXC=${WITH_LIBXC} WITH_MPI=1 PREFIX=${inPREFIX}/mpi" -- sleep 1 -+ #sleep 1 - make clean - make WITH_LIBXC=${WITH_LIBXC} WITH_MPI=1 PREFIX=${inPREFIX}/mpi - # diff --git a/science/libgridxc/files/patch-gridxc.mk.in b/science/libgridxc/files/patch-gridxc.mk.in deleted file mode 100644 index c8e6709dff1c..000000000000 --- a/science/libgridxc/files/patch-gridxc.mk.in +++ /dev/null @@ -1,17 +0,0 @@ ---- gridxc.mk.in.orig 2018-02-01 10:48:08 UTC -+++ gridxc.mk.in -@@ -22,7 +22,7 @@ ifeq ($(GRIDXC_USES_LIBXC),1) - $(error you need to define LIBXC_ROOT in your arch.make) - endif - # -- include $(GRIDXC_ROOT)/libxc.mk -+ include $(GRIDXC_ROOT)/share/mk/libxc.mk - # - else - # -@@ -31,4 +31,4 @@ else - endif - # - GRIDXC_INCFLAGS= -I $(GRIDXC_ROOT)/include $(LIBXC_INCFLAGS) --GRIDXC_LIBS=$(GRIDXC_ROOT)/lib/libGridXC.a $(LIBXC_LIBS) -+GRIDXC_LIBS=$(GRIDXC_ROOT)/lib/libGridXC.so $(LIBXC_LIBS) diff --git a/science/libgridxc/files/patch-makefile b/science/libgridxc/files/patch-makefile deleted file mode 100644 index 64b7f7974926..000000000000 --- a/science/libgridxc/files/patch-makefile +++ /dev/null @@ -1,63 +0,0 @@ ---- makefile.orig 2018-02-01 10:48:08 UTC -+++ makefile -@@ -93,15 +93,20 @@ else - MPI_INTERFACE= - endif - -+ifdef WITH_LIBXC -+LIBXC=$(FREEBSD_LOCALBASE)/lib/libxc.so -+endif -+ - libmpi_f90.a: - @(cd MPI_instr ; $(MAKE) \ - "VPATH=$(VPATH)/MPI_instr" ) - --libGridXC.a: $(MPI_INTERFACE) $(ALL_OBJS) -- $(AR) $(ARFLAGS_EXTRA) cru libGridXC.a $(ALL_OBJS) -+libGridXC.so: $(MPI_INTERFACE) $(ALL_OBJS) - @if [ ! -z "$(MPI_INTERFACE)" ] ; then \ -- $(AR) $(ARFLAGS_EXTRA) cru libGridXC.a MPI_instr/*.o ; fi -- -$(RANLIB) libGridXC.a -+ $(CC) -shared -o libGridXC.so -Wl,-soname,libGridXC.so $(ALL_OBJS) MPI_instr/*.o $(FREEBSD_LOCALBASE)/lib/libmpich.so $(LIBXC); \ -+ else \ -+ $(CC) -shared -o libGridXC.so -Wl,-soname,libGridXC.so $(ALL_OBJS) $(LIBXC); \ -+ fi; - - MODULES_TO_INSTALL=gridxc.mod gridxc_config.mod m_atomxc.mod \ - m_cellxc.mod xcmod.mod m_ldaxc.mod m_ggaxc.mod \ -@@ -126,23 +131,23 @@ setup_mk_file: - endif - endif - --module: setup_mk_file libGridXC.a -+module: setup_mk_file libGridXC.so - @echo "Prefix: $(PREFIX)" - mkdir -p lib - mkdir -p include - cp -p $(MODULES_TO_INSTALL) include/ -- cp -p libGridXC.a lib/ -+ cp -p libGridXC.so lib/ - @if [ "$(PREFIX)" != "$(MAIN_OBJDIR)" ]; then \ -- echo "mkdir -p $(GRIDXC_PREFIX)/lib" ; \ -- mkdir -p $(GRIDXC_PREFIX)/lib ; \ -- echo "mkdir -p $(GRIDXC_PREFIX)/include" ; \ -- mkdir -p $(GRIDXC_PREFIX)/include ; \ -- echo "cp -p $(MODULES_TO_INSTALL) $(GRIDXC_PREFIX)/include/" ; \ -- cp -p $(MODULES_TO_INSTALL) $(GRIDXC_PREFIX)/include/ ; \ -- echo "cp -p libGridXC.a $(GRIDXC_PREFIX)/lib" ; \ -- cp -p libGridXC.a $(GRIDXC_PREFIX)/lib ; \ -- echo "cp -p gridxc.mk libxc.mk $(GRIDXC_PREFIX)" ; \ -- cp -p gridxc.mk libxc.mk $(GRIDXC_PREFIX) ; fi -+ echo "mkdir -p $(INSTALL_DIR)/lib" ; \ -+ mkdir -p $(INSTALL_DIR)/lib ; \ -+ echo "mkdir -p $(INSTALL_DIR)/include" ; \ -+ mkdir -p $(INSTALL_DIR)/include ; \ -+ echo "cp -p $(MODULES_TO_INSTALL) $(INSTALL_DIR)/include/" ; \ -+ cp -p $(MODULES_TO_INSTALL) $(INSTALL_DIR)/include/ ; \ -+ echo "cp -p libGridXC.so $(INSTALL_DIR)/lib" ; \ -+ cp -p libGridXC.so $(INSTALL_DIR)/lib ; \ -+ echo "cp -p gridxc.mk libxc.mk $(INSTALL_DIR)" ; \ -+ cp -p gridxc.mk libxc.mk $(INSTALL_DIR) ; fi - - clean: - rm -f *.o *.*d *.a gridxc.mk diff --git a/science/libgridxc/files/patch-top.gridxc.mk.in b/science/libgridxc/files/patch-top.gridxc.mk.in deleted file mode 100644 index a7c773ed8778..000000000000 --- a/science/libgridxc/files/patch-top.gridxc.mk.in +++ /dev/null @@ -1,33 +0,0 @@ ---- top.gridxc.mk.in.orig 2018-02-01 10:48:08 UTC -+++ top.gridxc.mk.in -@@ -13,8 +13,8 @@ GRIDXC_USES_MPI=0 - # - ifeq ($(GRIDXC_USES_MPI),1) - $(info GRIDXC includes MPI support) -- GRIDXC_MPI_INCFLAGS= -I $(GRIDXC_ROOT)/mpi/include $(LIBXC_INCFLAGS) -- GRIDXC_MPI_LIBS=$(GRIDXC_ROOT)/mpi/lib/libGridXC.a $(LIBXC_LIBS) -+ GRIDXC_MPI_INCFLAGS= -I $(GRIDXC_ROOT)/include $(LIBXC_INCFLAGS) -+ GRIDXC_MPI_LIBS=$(GRIDXC_ROOT)/lib/libGridXC.so $(LIBXC_LIBS) - endif - # - ifeq ($(GRIDXC_USES_LIBXC),1) -@@ -24,7 +24,7 @@ ifeq ($(GRIDXC_USES_LIBXC),1) - $(error you need to define LIBXC_ROOT in your arch.make) - endif - # -- include $(GRIDXC_ROOT)/libxc.mk -+ include $(GRIDXC_ROOT)/share/mk/libxc.mk - # - else - # -@@ -32,8 +32,8 @@ else - LIBXC_LIBS= - endif - # --GRIDXC_SERIAL_INCFLAGS= -I $(GRIDXC_ROOT)/serial/include $(LIBXC_INCFLAGS) --GRIDXC_SERIAL_LIBS=$(GRIDXC_ROOT)/serial/lib/libGridXC.a $(LIBXC_LIBS) -+GRIDXC_SERIAL_INCFLAGS= -I $(GRIDXC_ROOT)/include $(LIBXC_INCFLAGS) -+GRIDXC_SERIAL_LIBS=$(GRIDXC_ROOT)/lib/libGridXC.so $(LIBXC_LIBS) - # - ifdef WITH_MPI - ifneq ($(GRIDXC_USES_MPI),1) diff --git a/science/libgridxc/pkg-descr b/science/libgridxc/pkg-descr index fb2d9c6abe77..81fe9fa106e4 100644 --- a/science/libgridxc/pkg-descr +++ b/science/libgridxc/pkg-descr @@ -4,4 +4,4 @@ spherical (i.e. an atom) or periodic systems. It is based on SiestaXC. The project is based on the SiestaXC code, and eventually will produce a package to be included in the Electronic Structure Library. -WWW: https://launchpad.net/libgridxc +WWW: https://gitlab.com/siesta-project/libraries/libgridxc diff --git a/science/libgridxc/pkg-plist b/science/libgridxc/pkg-plist index 0e776ea6bffd..4917f4bef5bd 100644 --- a/science/libgridxc/pkg-plist +++ b/science/libgridxc/pkg-plist @@ -1,13 +1,16 @@ -include/debugxc.mod -include/gridxc.mod -include/gridxc_config.mod -include/m_atomxc.mod -include/m_cellxc.mod -include/m_fft_gpfa.mod -include/m_ggaxc.mod -include/m_ldaxc.mod -include/mesh3d.mod -include/xcmod.mod -lib/libGridXC.so -share/mk/gridxc.mk -share/mk/libxc.mk +include/gridxc/debugxc.mod +include/gridxc/gridxc.mod +include/gridxc/gridxc_config.mod +include/gridxc/gridxc_fft_gpfa.mod +include/gridxc/m_atomxc.mod +include/gridxc/m_cellxc.mod +include/gridxc/m_ggaxc.mod +include/gridxc/m_ldaxc.mod +include/gridxc/mesh3d.mod +include/gridxc/xcmod.mod +lib/libgridxc.a +lib/libgridxc.so +lib/libgridxc.so.0 +lib/libgridxc.so.0.0.0 +libdata/pkgconfig/libgridxc.pc +share/org.siesta-project/gridxc.mk
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