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science/{,py-}avogadrolibs: update 1.100.0 → 2.0.0

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This commit is contained in:
Yuri Victorovich
2026-04-17 01:23:45 -07:00
parent b8312532a0
commit 6c8876b236
6 changed files with 2956 additions and 2909 deletions
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science/avogadrolibs/Makefile
+15 -16
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@@ -1,6 +1,5 @@
PORTNAME= avogadrolibs
DISTVERSION= 1.100.0
PORTREVISION= 2
DISTVERSION= 2.0.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@@ -20,14 +19,14 @@ USE_LDCONFIG= yes
USE_GITHUB= yes
GH_ACCOUNT= OpenChemistry
GH_TUPLE= OpenChemistry:molecules:8a37883:molecules/../molecules \
OpenChemistry:crystals:28404bd:crystals/../crystals \
OpenChemistry:fragments:c4943b5:fragments/../fragments
OpenChemistry:crystals:7adea78:crystals/../crystals \
OpenChemistry:fragments:2e29d17:fragments/../fragments
CMAKE_ON= BUILD_SHARED_LIBS
CMAKE_TESTING_ON= ENABLE_TESTING
OPTIONS_DEFINE= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB VTK
OPTIONS_DEFAULT= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT5 SPGLIB
OPTIONS_DEFINE= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT SPGLIB VTK
OPTIONS_DEFAULT= HDF5 LIBARCHIVE LIBMSYM MMTF OPENGL QT SPGLIB VTK
OPTIONS_SUB= yes
HDF5_CMAKE_BOOL= USE_HDF5
@@ -36,12 +35,12 @@ HDF5_LIB_DEPENDS= libhdf5.so:science/hdf5
LIBARCHIVE_DESC= Enable optional Libarchive features
LIBARCHIVE_CMAKE_BOOL= USE_LIBARCHIVE
LIBARCHIVE_USES= libarchive
LIBARCHIVE_IMPLIES= QT5
LIBARCHIVE_IMPLIES= QT
LIBMSYM_DESC= Enable optional features using libmsym
LIBMSYM_CMAKE_BOOL= USE_LIBMSYM
LIBMSYM_LIB_DEPENDS= libmsym.so:science/libmsym
LIBMSYM_IMPLIES= QT5 # enables the 'symmetry' Qt plugin
LIBMSYM_IMPLIES= QT # enables the 'symmetry' Qt plugin
MMTF_DESC= Enable optional features using mmtf
MMTF_CMAKE_BOOL= USE_MMTF
@@ -52,25 +51,25 @@ OPENGL_CMAKE_BOOL= USE_OPENGL
OPENGL_USES= gl
OPENGL_USE= GL=gl,glew
QT5_CMAKE_BOOL= USE_QT
QT5_USES= qt:5
QT5_USE= QT=core,concurrent,gui,network,svg,widgets,buildtools:build,qmake:build
QT5_IMPLIES= OPENGL
QT_CMAKE_BOOL= USE_QT
QT_USES= qt:6
QT_USE= QT=base,svg,tools:build
QT_LIB_DEPENDS= libJKQTPlotter6.so:graphics/jkqtplotter@qt6
QT_IMPLIES= OPENGL
SPGLIB_DESC= Enable optional features using spglib
SPGLIB_CMAKE_BOOL= USE_SPGLIB
SPGLIB_CMAKE_ON= -DSPGLIB_INCLUDE_DIR=${LOCALBASE}/include
SPGLIB_LIB_DEPENDS= libsymspg.so:science/spglib
SPGLIB_IMPLIES= QT5 # USE_SPGLIB only installs header file without USE_QT, and also installs SpaceGroup.a with USE_QT, see https://github.com/OpenChemistry/avogadrolibs/issues/610
SPGLIB_IMPLIES= QT # USE_SPGLIB only installs header file without USE_QT, and also installs SpaceGroup.a with USE_QT, see https://github.com/OpenChemistry/avogadrolibs/issues/610
VTK_DESC= Enable libraries that use VTK
VTK_USES= xorg
VTK_USE= QT=opengl XORG=x11
VTK_USE= XORG=x11
VTK_CMAKE_BOOL= USE_VTK
VTK_LIB_DEPENDS= libvtksys-${VTK_VER}.so:math/vtk${VTK_VER:R} \
libfreetype.so:print/freetype2
VTK_IMPLIES= QT5
VTK_BROKEN= Needs https://github.com/psavery/genXrdPattern, see https://github.com/OpenChemistry/avogadrolibs/issues/1186
VTK_IMPLIES= QT
post-install:
@${RM} -r ${STAGEDIR}${PREFIX}/share/doc
science/avogadrolibs/distinfo
+7 -7
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@@ -1,9 +1,9 @@
TIMESTAMP = 1737569326
SHA256 (OpenChemistry-avogadrolibs-1.100.0_GH0.tar.gz) = dd836d7287776a08673e664923960d13d222c5d630d1653bd182606e644de23c
SIZE (OpenChemistry-avogadrolibs-1.100.0_GH0.tar.gz) = 4979722
TIMESTAMP = 1776353299
SHA256 (OpenChemistry-avogadrolibs-2.0.0_GH0.tar.gz) = 08adefeb8122cf018587fc12872ed470bbf92b72fb73f0af1861ab58031cadfd
SIZE (OpenChemistry-avogadrolibs-2.0.0_GH0.tar.gz) = 5218137
SHA256 (OpenChemistry-molecules-8a37883_GH0.tar.gz) = 20d6513f446956c2e24be1485dc3390dcc86347dee09da9c1c034fc2cc2057c2
SIZE (OpenChemistry-molecules-8a37883_GH0.tar.gz) = 9981477
SHA256 (OpenChemistry-crystals-28404bd_GH0.tar.gz) = bc23c4afea9929e6a4489822d81a5d4f1f9adf00ae1985a2a690ee25a6e429fa
SIZE (OpenChemistry-crystals-28404bd_GH0.tar.gz) = 21577783
SHA256 (OpenChemistry-fragments-c4943b5_GH0.tar.gz) = a30de1b59b44b4820b81ff7db1d7806cb807554f5cd8428955306ab6afc1df53
SIZE (OpenChemistry-fragments-c4943b5_GH0.tar.gz) = 2532609
SHA256 (OpenChemistry-crystals-7adea78_GH0.tar.gz) = 31365be8e93590ca69664ffbc8cfc57c5ba1456da77927516c69599466bb414d
SIZE (OpenChemistry-crystals-7adea78_GH0.tar.gz) = 21674528
SHA256 (OpenChemistry-fragments-2e29d17_GH0.tar.gz) = fe839bf32e654e59683da41559de0333630f9d4b4cfe6246bf5d679f01a7b287
SIZE (OpenChemistry-fragments-2e29d17_GH0.tar.gz) = 1619155
science/avogadrolibs/pkg-plist
+2928 -2882
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File diff suppressed because it is too large Load Diff
science/kalzium/Makefile
+1
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@@ -1,5 +1,6 @@
PORTNAME= kalzium
DISTVERSION= ${KDE_APPLICATIONS_VERSION}
PORTREVISION= 1
CATEGORIES= science education kde kde-applications
MAINTAINER= kde@FreeBSD.org
science/py-avogadrolibs/Makefile
+2 -1
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@@ -1,5 +1,5 @@
PORTNAME= avogadrolibs
DISTVERSION= 1.100.0
DISTVERSION= 2.0.0
CATEGORIES= science
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@@ -27,6 +27,7 @@ PLIST_FILES= ${PYTHON_SITELIBDIR}/avogadro/__init__.py \
${PYTHON_SITELIBDIR}/avogadro/cjson.py \
${PYTHON_SITELIBDIR}/avogadro/connect.py \
${PYTHON_SITELIBDIR}/avogadro/core${PYTHON_TAG}.so \
${PYTHON_SITELIBDIR}/avogadro/energy.py \
${PYTHON_SITELIBDIR}/avogadro/io${PYTHON_TAG}.so
.include <bsd.port.mk>
science/py-avogadrolibs/distinfo
+3 -3
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@@ -1,3 +1,3 @@
TIMESTAMP = 1737595090
SHA256 (OpenChemistry-avogadrolibs-1.100.0_GH0.tar.gz) = dd836d7287776a08673e664923960d13d222c5d630d1653bd182606e644de23c
SIZE (OpenChemistry-avogadrolibs-1.100.0_GH0.tar.gz) = 4979722
TIMESTAMP = 1776407947
SHA256 (OpenChemistry-avogadrolibs-2.0.0_GH0.tar.gz) = 08adefeb8122cf018587fc12872ed470bbf92b72fb73f0af1861ab58031cadfd
SIZE (OpenChemistry-avogadrolibs-2.0.0_GH0.tar.gz) = 5218137