Attachment 237644 Details for Bug 267356 – Upgrade to libXC 6

[patch] Upgrade to libXC 6

science_libxc.diff (text/plain), 3.81 KB, created by Thierry Thomas on 2022-10-26 10:03:24 UTC

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Creator: Thierry Thomas

Created: 2022-10-26 10:03:24 UTC

Size: 3.81 KB

patch

obsolete

>From eb160a8ee3deb44c22b2813ae016731bc0cca5b8 Mon Sep 17 00:00:00 2001
>From: Thierry Thomas <thierry@FreeBSD.org>
>Date: Sun, 23 Oct 2022 19:14:04 +0200
>Subject: [PATCH 1/5] science/libxc: upgrade to libXC 6
>
>Changelog at <https://www.tddft.org/programs/libxc/changes/>.
>---
> science/libxc/Makefile  | 15 ++++++++++-----
> science/libxc/distinfo  |  6 +++---
> science/libxc/pkg-descr |  2 ++
> science/libxc/pkg-plist | 26 +++++++++++++++++---------
> 4 files changed, 32 insertions(+), 17 deletions(-)
>
>diff --git a/science/libxc/Makefile b/science/libxc/Makefile
>index 4221ddb8ba8f..fb82ea6122b3 100644
>--- a/science/libxc/Makefile
>+++ b/science/libxc/Makefile
>@@ -1,6 +1,5 @@
> PORTNAME=	libxc
>-DISTVERSION=	5.2.3
>-PORTREVISION=	1
>+DISTVERSION=	6.0.0
> CATEGORIES=	science
> MASTER_SITES=	https://www.tddft.org/programs/${PORTNAME}/down/${DISTVERSION}/
> 
>@@ -8,13 +7,19 @@ MAINTAINER=	jmd@FreeBSD.org
> COMMENT=	Library of exchange-correlation functionals for DFT
> WWW=		https://www.tddft.org/programs/libxc/
> 
>-LICENSE=	LGPL3+
>+LICENSE=	MPL20
> LICENSE_FILE=	${WRKSRC}/COPYING
> 
>-USES=		cmake:testing fortran
>+USES=		cmake:testing fortran python
> USE_LDCONFIG=	yes
>+TEST_DEPENDS=	bsh:shells/bash
> 
>-CMAKE_ON=	BUILD_SHARED_LIBS ENABLE_FORTRAN
>+CMAKE_ON=	BUILD_SHARED_LIBS ENABLE_FORTRAN ENABLE_PYTHON
> CMAKE_OFF=	BUILD_TESTING
> 
>+pre-configure:
>+	${REINPLACE_CMD} -e 's|$${CMAKE_INSTALL_LIBDIR}/pylibxc$$|${PYTHONPREFIX_SITELIBDIR}/pylibxc|'	\
>+		-e 's|$${CMAKE_INSTALL_PREFIX}/$${CMAKE_INSTALL_LIBDIR}/pylibxc/|${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/pylibxc/|'\
>+		${WRKSRC}/CMakeLists.txt
>+
> .include <bsd.port.mk>
>diff --git a/science/libxc/distinfo b/science/libxc/distinfo
>index 4b0a38f3c720..c20a0d21c422 100644
>--- a/science/libxc/distinfo
>+++ b/science/libxc/distinfo
>@@ -1,3 +1,3 @@
>-TIMESTAMP = 1653368771
>-SHA256 (libxc-5.2.3.tar.gz) = 7b7a96d8eeb472c7b8cca7ac38eae27e0a8113ef44dae5359b0eb12592b4bcf2
>-SIZE (libxc-5.2.3.tar.gz) = 45810705
>+TIMESTAMP = 1666539454
>+SHA256 (libxc-6.0.0.tar.gz) = c2ca205a762200dfba2e6c9e8ca2061aaddc6b7cf42048859fe717a7aa07de7c
>+SIZE (libxc-6.0.0.tar.gz) = 62940412
>diff --git a/science/libxc/pkg-descr b/science/libxc/pkg-descr
>index af883071185e..de279825bf19 100644
>--- a/science/libxc/pkg-descr
>+++ b/science/libxc/pkg-descr
>@@ -5,3 +5,5 @@ and also other codes.
> 
> In libxc you can find different types of functionals: LDA, GGA, hybrids,
> and mGGA (experimental).
>+
>+See also: <https://gitlab.com/libxc/libxc>.
>diff --git a/science/libxc/pkg-plist b/science/libxc/pkg-plist
>index f7f659ad4fce..45cc2260d2a1 100644
>--- a/science/libxc/pkg-plist
>+++ b/science/libxc/pkg-plist
>@@ -6,18 +6,26 @@ include/xc_funcs.h
> include/xc_funcs_removed.h
> include/xc_funcs_worker.h
> include/xc_version.h
>+lib/cmake/Libxc/LibxcConfig.cmake
>+lib/cmake/Libxc/LibxcConfigVersion.cmake
>+lib/cmake/Libxc/LibxcTargets-C-%%CMAKE_BUILD_TYPE%%.cmake
>+lib/cmake/Libxc/LibxcTargets-C.cmake
>+lib/cmake/Libxc/LibxcTargets-Fortran-%%CMAKE_BUILD_TYPE%%.cmake
>+lib/cmake/Libxc/LibxcTargets-Fortran.cmake
> lib/libxc.so
>-lib/libxc.so.9
>+lib/libxc.so.12
> lib/libxcf03.so
>-lib/libxcf03.so.9
>+lib/libxcf03.so.12
> lib/libxcf90.so
>-lib/libxcf90.so.9
>+lib/libxcf90.so.12
>+%%PYTHON_SITELIBDIR%%/pylibxc/__init__.py
>+%%PYTHON_SITELIBDIR%%/pylibxc/core.py
>+%%PYTHON_SITELIBDIR%%/pylibxc/flags.py
>+%%PYTHON_SITELIBDIR%%/pylibxc/functional.py
>+%%PYTHON_SITELIBDIR%%/pylibxc/libxc.so
>+%%PYTHON_SITELIBDIR%%/pylibxc/structs.py
>+%%PYTHON_SITELIBDIR%%/pylibxc/util.py
>+%%PYTHON_SITELIBDIR%%/pylibxc/version.py
> libdata/pkgconfig/libxc.pc
> libdata/pkgconfig/libxcf03.pc
> libdata/pkgconfig/libxcf90.pc
>-share/cmake/Libxc/LibxcConfig.cmake
>-share/cmake/Libxc/LibxcConfigVersion.cmake
>-share/cmake/Libxc/LibxcTargets-C-%%CMAKE_BUILD_TYPE%%.cmake
>-share/cmake/Libxc/LibxcTargets-C.cmake
>-share/cmake/Libxc/LibxcTargets-Fortran-%%CMAKE_BUILD_TYPE%%.cmake
>-share/cmake/Libxc/LibxcTargets-Fortran.cmake
>-- 
>2.38.0
>

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