diff --git a/science/py-pymol/Makefile b/science/py-pymol/Makefile index b31b04de6cb9..de37dcd75e05 100644 --- a/science/py-pymol/Makefile +++ b/science/py-pymol/Makefile @@ -1,65 +1,62 @@ PORTNAME= pymol DISTVERSIONPREFIX= v -DISTVERSION= 2.5.0-97 -PORTREVISION= 2 -DISTVERSIONSUFFIX= -gd24468af +DISTVERSION= 3.0.0 CATEGORIES= science biology python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= OpenGL-based molecular visualization system WWW= https://pymol.org/2/ LICENSE= PyMOL LICENSE_NAME= Open-Source PyMOL Copyright LICENSE_FILE= ${WRKSRC}/LICENSE LICENSE_PERMS= dist-mirror dist-sell pkg-mirror pkg-sell auto-accept BUILD_DEPENDS= ${PYNUMPY} \ ${LOCALBASE}/include/glm/glm.hpp:math/glm \ ${LOCALBASE}/include/mmtf.hpp:science/mmtf-cpp LIB_DEPENDS= libfreetype.so:print/freetype2 \ - libpng.so:graphics/png \ - libmsgpackc.so:devel/msgpack-c \ - libnetcdf.so:science/netcdf + libnetcdf.so:science/netcdf \ + libpng16.so:graphics/png RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}msgpack>0:devel/py-msgpack@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}Pmw>0:x11-toolkits/py-Pmw@${PY_FLAVOR} \ ${PYNUMPY} USES= compiler:c++11-lang gl gnome python tar:bz2 -USE_GL= gl glew glu glut +USE_GL= gl glew glu USE_GNOME= libxml2 USE_PYTHON= distutils concurrent # autoplist is broken: https://github.com/schrodinger/pymol-open-source/issues/99 USE_GITHUB= yes GH_ACCOUNT= schrodinger GH_PROJECT= ${PORTNAME}-open-source CONFLICTS_INSTALL= ${PYTHON_PKGNAMEPREFIX}chempy # chempy port is unrelated, see https://github.com/schrodinger/pymol-open-source/issues/100 CXXFLAGS+= -DMSGPACK_NO_BOOST # in line with MSGPACK_USE_BOOST=OFF in devel/msgpack-cxx .if !exists(/usr/include/omp.h) PYDISTUTILS_CONFIGUREARGS+= --use-openmp=no PYDISTUTILS_BUILDARGS+= --use-openmp=no .endif OPTIONS_SINGLE= GUI OPTIONS_SINGLE_GUI= QT5 TK OPTIONS_DEFAULT= QT5 QT5_USES= pyqt:5 QT5_USE= PYQT=pyqt5:run post-patch-TK-on: @${REINPLACE_CMD} -e ' \ 23s|if not PYQT_NAME:|if False:| ; \ s|from PyQt5 import|from X import|' \ ${WRKSRC}/modules/${PORTNAME}/Qt/__init__.py post-install: @${REINPLACE_CMD} -i '' -e 's|#!/bin/bash|#!/bin/sh|' ${STAGEDIR}${PREFIX}/bin/${PORTNAME} @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/${PORTNAME}/_cmd*.so @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/chempy/champ/_champ*.so .include diff --git a/science/py-pymol/distinfo b/science/py-pymol/distinfo index bb74283b993b..b47da168396a 100644 --- a/science/py-pymol/distinfo +++ b/science/py-pymol/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1669581024 -SHA256 (schrodinger-pymol-open-source-v2.5.0-97-gd24468af_GH0.tar.gz) = 801e8e71a02c56c07aacd241044e397586a435a4435b74845d779d9846c994af -SIZE (schrodinger-pymol-open-source-v2.5.0-97-gd24468af_GH0.tar.gz) = 10495556 +TIMESTAMP = 1731825743 +SHA256 (schrodinger-pymol-open-source-v3.0.0_GH0.tar.gz) = 45e800a02680cec62dff7a0f92283f4be7978c13a02934a43ac6bb01f67622cf +SIZE (schrodinger-pymol-open-source-v3.0.0_GH0.tar.gz) = 29510174 diff --git a/science/py-pymol/files/patch-setup.py b/science/py-pymol/files/patch-setup.py index fe1059c10949..6378d80ded89 100644 --- a/science/py-pymol/files/patch-setup.py +++ b/science/py-pymol/files/patch-setup.py @@ -1,20 +1,20 @@ ---- setup.py.orig 2021-05-10 18:38:37 UTC +--- setup.py.orig 2024-04-09 16:59:46 UTC +++ setup.py -@@ -53,6 +53,8 @@ try: - "shared library; no: disable fast MMTF load support") - parser.add_argument('--help-distutils', action="store_true", - help="show help for distutils options and exit") -+ parser.add_argument('--single-version-externally-managed', action="store_true", -+ help="single-version-externally-managed") - parser.add_argument('--testing', action="store_true", - help="Build C-level tests") - parser.add_argument('--openvr', dest='openvr', action='store_true') -@@ -282,7 +284,7 @@ if DEBUG and not WIN: +@@ -60,6 +60,8 @@ parser.add_argument('--help-distutils', action="store_ + "shared library; no: disable fast MMTF load support") + parser.add_argument('--help-distutils', action="store_true", + help="show help for distutils options and exit") ++parser.add_argument('--single-version-externally-managed', action="store_true", ++ help="single-version-externally-managed") + parser.add_argument('--testing', action="store_true", + help="Build C-level tests") + parser.add_argument('--openvr', dest='openvr', action='store_true') +@@ -295,7 +297,7 @@ ext_comp_args = [ libs = ["png", "freetype"] lib_dirs = [] ext_comp_args = [ - "-Werror=return-type", + #"-Werror=return-type", "-Wunused-variable", "-Wno-switch", "-Wno-narrowing", diff --git a/science/py-pymol/pkg-plist b/science/py-pymol/pkg-plist index cac539fae865..3363a43e5cb1 100644 --- a/science/py-pymol/pkg-plist +++ b/science/py-pymol/pkg-plist @@ -1,906 +1,929 @@ bin/pymol %%PYTHON_SITELIBDIR%%/chempy/__init__.py %%PYTHON_SITELIBDIR%%/chempy/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.opt-1.pyc %%PYTHON_SITELIBDIR%%/chempy/__pycache__/__init__%%PYTHON_EXT_SUFFIX%%.pyc 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