git: dc08439c74fe - main - science/libgridxc: Update 0.8.5 -> 0.9.6
Yuri Victorovich
yuri at FreeBSD.org
Sat Apr 24 01:58:33 UTC 2021
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=dc08439c74fe5e15923afdfb03210f06b16f3ce0
commit dc08439c74fe5e15923afdfb03210f06b16f3ce0
Author: Yuri Victorovich <yuri at FreeBSD.org>
AuthorDate: 2021-04-24 01:27:32 +0000
Commit: Yuri Victorovich <yuri at 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 at 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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