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authorYuri Victorovich <yuri@FreeBSD.org>2022-11-27 12:58:44 -0800
committerYuri Victorovich <yuri@FreeBSD.org>2022-11-27 13:03:05 -0800
commita2b852ee70ee234f4b2360f72ea2d89f48943b37 (patch)
treee56e949763f6a05d2c119cdab64ca06d5c064ea6
parentx11-wm/gamescope: temporarily disable wayland category (diff)
science/py-pymol: Update 2.4.0 -> 2.5.0-97
-rw-r--r--science/py-pymol/Makefile24
-rw-r--r--science/py-pymol/distinfo6
-rw-r--r--science/py-pymol/files/patch-layer0_MemoryUsage.cpp20
-rw-r--r--science/py-pymol/files/patch-modules_pymol_Qt_____init____.py20
-rw-r--r--science/py-pymol/files/patch-setup.py15
-rw-r--r--science/py-pymol/pkg-plist962
6 files changed, 441 insertions, 606 deletions
diff --git a/science/py-pymol/Makefile b/science/py-pymol/Makefile
index d65a765b6bd3..a8f87b52626d 100644
--- a/science/py-pymol/Makefile
+++ b/science/py-pymol/Makefile
@@ -1,7 +1,7 @@
PORTNAME= pymol
DISTVERSIONPREFIX= v
-DISTVERSION= 2.4.0
-PORTREVISION= 7
+DISTVERSION= 2.5.0-97
+DISTVERSIONSUFFIX= -gd24468af
CATEGORIES= science biology python
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@@ -25,23 +25,25 @@ 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:3.5+ shebangfix tar:bz2
-USE_GITHUB= yes
-GH_ACCOUNT= schrodinger
-GH_PROJECT= ${PORTNAME}-open-source
+USES= compiler:c++11-lang gl gnome python:3.5+ tar:bz2
USE_GL= gl glew glu glut
USE_GNOME= libxml2
USE_PYTHON= distutils concurrent # autoplist is broken: https://github.com/schrodinger/pymol-open-source/issues/99
-SHEBANG_FILES= test/show test/run test/cyg
-CONFLICTS_INSTALL= ${PYTHON_PKGNAMEPREFIX}chempy # https://github.com/schrodinger/pymol-open-source/issues/100
+USE_GITHUB= yes
+GH_ACCOUNT= schrodinger
+GH_PROJECT= ${PORTNAME}-open-source
+
+CONFLICTS_INSTALL= ${PYTHON_PKGNAMEPREFIX}chempy # chempy port is unrelated, see https://github.com/schrodinger/pymol-open-source/issues/100
+
+CXXFLAGS+= -DMSGPACK_NO_BOOST # in line with MSGPACK_USE_BOOST=OFF in devel/msgpack-cxx
-OPTIONS_SINGLE= GUI
+OPTIONS_SINGLE= GUI
OPTIONS_SINGLE_GUI= QT5 TK
OPTIONS_DEFAULT= QT5
-QT5_USES= pyqt:5
-QT5_USE= PYQT=pyqt5:run
+QT5_USES= pyqt:5
+QT5_USE= PYQT=pyqt5:run
post-patch-TK-on:
@${REINPLACE_CMD} -e ' \
diff --git a/science/py-pymol/distinfo b/science/py-pymol/distinfo
index 869d54d85a75..bb74283b993b 100644
--- a/science/py-pymol/distinfo
+++ b/science/py-pymol/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1590042797
-SHA256 (schrodinger-pymol-open-source-v2.4.0_GH0.tar.gz) = 5ede4ce2e8f53713c5ee64f5905b2d29bf01e4391da7e536ce8909d6b9116581
-SIZE (schrodinger-pymol-open-source-v2.4.0_GH0.tar.gz) = 10552539
+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
diff --git a/science/py-pymol/files/patch-layer0_MemoryUsage.cpp b/science/py-pymol/files/patch-layer0_MemoryUsage.cpp
new file mode 100644
index 000000000000..682a34626126
--- /dev/null
+++ b/science/py-pymol/files/patch-layer0_MemoryUsage.cpp
@@ -0,0 +1,20 @@
+--- layer0/MemoryUsage.cpp.orig 2022-11-27 20:14:03 UTC
++++ layer0/MemoryUsage.cpp
+@@ -51,6 +51,8 @@ size_t memory_usage()
+ GetProcessMemoryInfo(hProcess.get(), &pmc, sizeof(pmc));
+ }
+ return pmc.WorkingSetSize;
++#elif defined(__FreeBSD__)
++ return 0; // TODO implement memory_usage()
+ #else
+ #error "platform not handled"
+ #endif
+@@ -92,6 +94,8 @@ size_t memory_available()
+ statex.dwLength = sizeof(statex);
+ GlobalMemoryStatusEx(&statex);
+ return statex.ullAvailPhys;
++#elif defined(__FreeBSD__)
++ return 0; // TODO: implement memory_available()
+ #else
+ #error "platform not handled"
+ #endif
diff --git a/science/py-pymol/files/patch-modules_pymol_Qt_____init____.py b/science/py-pymol/files/patch-modules_pymol_Qt_____init____.py
deleted file mode 100644
index 2075f7ce00ae..000000000000
--- a/science/py-pymol/files/patch-modules_pymol_Qt_____init____.py
+++ /dev/null
@@ -1,20 +0,0 @@
---- modules/pymol/Qt/__init__.py.orig 2019-02-11 14:08:10 UTC
-+++ modules/pymol/Qt/__init__.py
-@@ -29,7 +29,7 @@ if not PYQT_NAME:
- if DEBUG:
- print('import PyQt5 failed')
-
--if not PYQT_NAME:
-+if False:
- try:
- from PySide2 import QtGui, QtCore, QtOpenGL, QtWidgets
- PYQT_NAME = 'PySide2'
-@@ -46,7 +46,7 @@ if not PYQT_NAME:
- if DEBUG:
- print('import PyQt4 failed')
-
--if not PYQT_NAME:
-+if False:
- try:
- from PySide import QtGui, QtCore, QtOpenGL
- PYQT_NAME = 'PySide'
diff --git a/science/py-pymol/files/patch-setup.py b/science/py-pymol/files/patch-setup.py
index 062ebccceca4..fe1059c10949 100644
--- a/science/py-pymol/files/patch-setup.py
+++ b/science/py-pymol/files/patch-setup.py
@@ -1,6 +1,6 @@
---- setup.py.orig 2019-02-12 06:00:47 UTC
+--- setup.py.orig 2021-05-10 18:38:37 UTC
+++ setup.py
-@@ -52,6 +52,8 @@ try:
+@@ -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")
@@ -8,4 +8,13 @@
+ help="single-version-externally-managed")
parser.add_argument('--testing', action="store_true",
help="Build C-level tests")
- options, sys.argv[1:] = parser.parse_known_args(namespace=options)
+ parser.add_argument('--openvr', dest='openvr', action='store_true')
+@@ -282,7 +284,7 @@ if DEBUG and not WIN:
+ 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 6d85e1f147c4..cac539fae865 100644
--- a/science/py-pymol/pkg-plist
+++ b/science/py-pymol/pkg-plist
@@ -1,91 +1,91 @@
bin/pymol
%%PYTHON_SITELIBDIR%%/chempy/__init__.py
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/__init__.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/__init__.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/arc.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/arc.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/bond_amber.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/bond_amber.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/bond_mmff.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/bond_mmff.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/bonds.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/bonds.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/brick.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/brick.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/cc1.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/cc1.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/charge.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/charge.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/cif.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/cif.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/cpv.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/cpv.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/dictdb.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/dictdb.cpython-%%PYTHON_SUFFIX%%.pyc
-%%PYTHON_SITELIBDIR%%/chempy/__pycache__/gamess1.cpython-%%PYTHON_SUFFIX%%.opt-1.pyc
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