svn commit: r482266 - in head/science: . avogadro2 avogadro2/files
Yuri Victorovich
yuri at FreeBSD.org
Wed Oct 17 01:04:43 UTC 2018
Author: yuri
Date: Wed Oct 17 01:04:41 2018
New Revision: 482266
URL: https://svnweb.freebsd.org/changeset/ports/482266
Log:
New port: science/avogadro2: Chemical editor and visualization application
Added:
head/science/avogadro2/
- copied from r482264, head/science/avogadro/
Deleted:
head/science/avogadro2/files/
head/science/avogadro2/pkg-plist
Modified:
head/science/Makefile
head/science/avogadro2/Makefile
head/science/avogadro2/distinfo
head/science/avogadro2/pkg-descr
Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile Wed Oct 17 01:02:16 2018 (r482265)
+++ head/science/Makefile Wed Oct 17 01:04:41 2018 (r482266)
@@ -29,6 +29,7 @@
SUBDIR += atom
SUBDIR += atompaw
SUBDIR += avogadro
+ SUBDIR += avogadro2
SUBDIR += avogadrolibs
SUBDIR += bagel
SUBDIR += bddsolve
Modified: head/science/avogadro2/Makefile
==============================================================================
--- head/science/avogadro/Makefile Tue Oct 16 22:58:17 2018 (r482264)
+++ head/science/avogadro2/Makefile Wed Oct 17 01:04:41 2018 (r482266)
@@ -1,66 +1,32 @@
-# Created by: Troels Kofoed Jacobsen <tkjacobsen at gmail.com>
# $FreeBSD$
-PORTNAME= avogadro
-PORTVERSION= 1.1.1
-PORTREVISION= 16
+PORTNAME= avogadro2
+DISTVERSION= 1.91.0
CATEGORIES= science
-MASTER_SITES= SF
-MAINTAINER= kde at FreeBSD.org
-COMMENT= Advanced molecular editor and viewer
+MAINTAINER= yuri at FreeBSD.org
+COMMENT= Chemical editor and visualization application
-LICENSE= GPLv2+
-LICENSE_FILE= ${WRKSRC}/COPYING
+LICENSE= BSD3CLAUSE
+LICENSE_FILE= ${WRKSRC}/LICENSE
-BROKEN_armv6= fails to compile: eigen2/Eigen/src/Core/Assign.h: you mixed different numeric types in 'Eigen::ei_static_assert<false>'
-BROKEN_armv7= fails to compile: eigen2/Eigen/src/Core/Assign.h: you mixed different numeric types in 'Eigen::ei_static_assert<false>'
+BUILD_DEPENDS= hdf5>0:science/hdf5
+LIB_DEPENDS= libAvogadroCore.so:science/avogadrolibs \
+ libMoleQueueClient.so:misc/molequeue
-LIB_DEPENDS= libopenbabel.so:science/openbabel
-
-# We need to add a RUN_DEPENDS on eigen2, as the cmake file shiped with
-# avogadro to use it, contains 'find_package(Eigen2 REQUIRED)'.
-USES= cmake desktop-file-utils eigen:2,build,run pkgconfig qt:4 tar:bzip2
-USE_GL= glu gl
-USE_QT= gui network opengl \
- linguisttools_build moc_build qmake_build rcc_build uic_build
-CMAKE_ARGS= -DENABLE_GLSL=OFF \
- -DQT_MKSPECS_RELATIVE=share/qt4/mkspecs
+USES= cmake:outsource compiler:c++11-lang desktop-file-utils gl libarchive qt:5
+USE_GITHUB= yes
+GH_ACCOUNT= OpenChemistry
+GH_PROJECT= avogadroapp
+USE_QT= core concurrent gui network widgets buildtools_build qmake_build
+USE_GL= gl glew glu
USE_LDCONFIG= yes
-CFLAGS+= -idirafter ${LOCALBASE}/include/eigen2 \
- -idirafter ${LOCALBASE}/include \
- -I${LOCALBASE}/include
-LDFLAGS+= -L${LOCALBASE}/lib
+PLIST_FILES= bin/avogadro2 \
+ share/applications/avogadro2.desktop \
+ share/pixmaps/avogadro2.png
-OPTIONS_DEFINE= PYTHON
-OPTIONS_DEFAULT=PYTHON
-OPTIONS_SUB= yes
-
-PYTHON_USES= python:2.7
-PYTHON_BUILD_DEPENDS= ${PYNUMPY} \
- ${PYTHON_PKGNAMEPREFIX}sip>0:devel/py-sip@${PY_FLAVOR}
-PYTHON_LIB_DEPENDS= ${PY_BOOST}
-PYTHON_RUN_DEPENDS= ${PYNUMPY} \
- ${PYTHON_PKGNAMEPREFIX}sip>0:devel/py-sip@${PY_FLAVOR}
-PYTHON_CMAKE_ON= -DENABLE_PYTHON=ON \
- -DPYTHON_INCLUDE_DIR:PATH=${WRKDIR}/include/${PYTHON_VERSION}
-PYTHON_CMAKE_OFF= -DENABLE_PYTHON=OFF
-
-post-patch:
- @${REINPLACE_CMD} -e \
- '/FLAGS_RELEASE/s|^|#| ; \
- /PC_FILES/s|$${LIB_INSTALL_DIR}|libdata|' ${WRKSRC}/CMakeLists.txt
- @${REINPLACE_CMD} -e \
- 's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt
-
-pre-configure-PYTHON-on:
- @${MKDIR} ${WRKDIR}/include/${PYTHON_VERSION}
- @${FIND} ${PYTHON_INCLUDEDIR} ! -name "pyport.h" -type f \
- -maxdepth 1 | ${XARGS} -J % ${LN} -sf % \
- ${WRKDIR}/include/${PYTHON_VERSION}
- @${SED} -e 's|^#ifdef _PY_PORT_CTYPE_UTF8_ISSUE|#if 0|' \
- ${PYTHON_INCLUDEDIR}/pyport.h > \
- ${WRKDIR}/include/${PYTHON_VERSION}/pyport.h
+post-install:
+ @${RM} -r ${STAGEDIR}${PREFIX}/share/doc
.include <bsd.port.mk>
Modified: head/science/avogadro2/distinfo
==============================================================================
--- head/science/avogadro/distinfo Tue Oct 16 22:58:17 2018 (r482264)
+++ head/science/avogadro2/distinfo Wed Oct 17 01:04:41 2018 (r482266)
@@ -1,2 +1,3 @@
-SHA256 (avogadro-1.1.1.tar.bz2) = fe6f7bdea17a27a20be25b70d975145999aae9d90ef320217af2bc4d6e7a0a14
-SIZE (avogadro-1.1.1.tar.bz2) = 11118046
+TIMESTAMP = 1539734244
+SHA256 (OpenChemistry-avogadroapp-1.91.0_GH0.tar.gz) = 3bbe130027a75116de1d5c48dd7e97ff0fa8a785a96c500767bd4965f52e20df
+SIZE (OpenChemistry-avogadroapp-1.91.0_GH0.tar.gz) = 2904864
Modified: head/science/avogadro2/pkg-descr
==============================================================================
--- head/science/avogadro/pkg-descr Tue Oct 16 22:58:17 2018 (r482264)
+++ head/science/avogadro2/pkg-descr Wed Oct 17 01:04:41 2018 (r482266)
@@ -1,6 +1,22 @@
-Avogadro is an advanced molecular editor designed for cross-platform use in
-computational chemistry, molecular modeling, bioinformatics, materials science,
-and related areas. It offers flexible rendering and a powerful plugin
-architecture.
+Avogadro 2 is a chemical editor and visualization application, it is also a set
+of reusable software libraries written in C++ using principles of modularity for
+maximum reuse. The development of the first generation Avogadro application and
+library is documented in our paper, and this remains the preferred method of
+citation at present. The motivation for rewriting Avogadro, along with
+improvements and changes made in Avogadro 2 are summarized in our Source
+article. We provide a set of permissively licensed, open source, cross platform
+software components in the Avogadro 2 libraries, along with an end-user
+application with full source code, and binaries.
-WWW: http://avogadro.cc/
+The library features updated and improved rendering, where we built upon the
+abstraction provided by previous API, but implemented a simple scene graph. This
+makes use of features such as impostor sphere rendering, resulting in
+significant rendering speed improvements while improving the quality of the
+visualization. The core is built for scalability, looking to enable the analysis
+of larger chemical structures and simulations being produced by computational
+chemistry codes today. Emphasis has also been placed on making it even easier to
+extend, using simple Python scripts to add simulation input capabilities, and
+data input/output along with access to full-blown C++ plugin APIs where more
+control is required.
+
+WWW: https://www.openchemistry.org/projects/avogadro2/
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