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3
.gitignore
vendored
3
.gitignore
vendored
@ -6,3 +6,6 @@ openbabel-2.0.2.tar.gz
|
||||
/openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d.tar.gz
|
||||
/openbabel-a345105b28173eb7da14ecd1e5beebe94140c6d7.tar.gz
|
||||
/openbabel-3a63a9849f8d9719c5989c43875d51be50c53019.tar.gz
|
||||
/openbabel-2-4-0.tar.gz
|
||||
/openbabel-2-4-1.tar.gz
|
||||
/openbabel-openbabel-3-1-1.tar.gz
|
||||
|
44
openbabel-3.1.1-bug2378.patch
Normal file
44
openbabel-3.1.1-bug2378.patch
Normal file
@ -0,0 +1,44 @@
|
||||
From 4ba2fec17b786afebadfae800a015704ad533843 Mon Sep 17 00:00:00 2001
|
||||
From: dkoes <dkoes@pitt.edu>
|
||||
Date: Mon, 7 Jun 2021 11:04:25 -0400
|
||||
Subject: [PATCH] Resolve ImportError with make test
|
||||
|
||||
This change will build _openbabel.so in scripts/python/openbabel instead
|
||||
of the default build/lib. This is necessary because openbabel.py tries
|
||||
to import _openbabel like this:
|
||||
|
||||
if __package__ or "." in __name__:
|
||||
from . import _openbabel
|
||||
else:
|
||||
import _openbabel
|
||||
|
||||
This results in a circular import error when running make test (the
|
||||
first branch of the if is triggered). This code appears to be generated by
|
||||
SWIG with no obvious way to change it to catch the ImportError and call
|
||||
import _openbabel instead. Note the PYTHONPATH is set to include
|
||||
build/lib, but it doesn't matter because SWIG is forcing the import to
|
||||
happen in scripts/python/openbabel.
|
||||
|
||||
I'm not sure why this hasn't been a problem in the past, perhaps there's
|
||||
been a change in SWIG. This is with SWIG 4.0.1 and cmake 3.18.6.
|
||||
|
||||
I think the best solution is to move all the files that are being built
|
||||
in /scripts to the build directory rather than polluting the src tree
|
||||
with them, but this would require changing all the bindings and I'm not
|
||||
up for building and testing every binding.
|
||||
---
|
||||
scripts/CMakeLists.txt | 1 +
|
||||
1 file changed, 1 insertion(+)
|
||||
|
||||
diff --git a/scripts/CMakeLists.txt b/scripts/CMakeLists.txt
|
||||
index b715a546dd..56821641fe 100644
|
||||
--- a/scripts/CMakeLists.txt
|
||||
+++ b/scripts/CMakeLists.txt
|
||||
@@ -106,6 +106,7 @@ if (DO_PYTHON_BINDINGS)
|
||||
set_target_properties(bindings_python PROPERTIES
|
||||
OUTPUT_NAME _openbabel
|
||||
PREFIX ""
|
||||
+ LIBRARY_OUTPUT_DIRECTORY "${openbabel_SOURCE_DIR}/scripts/python/openbabel/"
|
||||
SUFFIX .so )
|
||||
execute_process(
|
||||
COMMAND
|
36
openbabel-3.1.1-bug2493.patch
Normal file
36
openbabel-3.1.1-bug2493.patch
Normal file
@ -0,0 +1,36 @@
|
||||
From c0570bfeb2d7e0a6a6de1f257cf28e7f3cac8739 Mon Sep 17 00:00:00 2001
|
||||
From: Sam James <sam@gentoo.org>
|
||||
Date: Sun, 12 Jun 2022 11:23:59 +0100
|
||||
Subject: [PATCH] CMake: fix time check typo (fixes build failure w/ GCC 12)
|
||||
MIME-Version: 1.0
|
||||
Content-Type: text/plain; charset=UTF-8
|
||||
Content-Transfer-Encoding: 8bit
|
||||
|
||||
Without this fixed check, we get a build failure with GCC 12:
|
||||
```
|
||||
/var/tmp/portage/sci-chemistry/openbabel-3.1.1_p20210225/work/openbabel-08e23f39b0cc39b4eebd937a5a2ffc1a7bac3e1b/include/openbabel/obutil.h:65:14: error: ‘clock’ was not declared in this scope; did you mean ‘clock_t’?
|
||||
65 | start= clock();
|
||||
| ^~~~~
|
||||
| clock_t
|
||||
```
|
||||
|
||||
Bug: https://bugs.gentoo.org/851510
|
||||
---
|
||||
src/config.h.cmake | 4 ++--
|
||||
1 file changed, 2 insertions(+), 2 deletions(-)
|
||||
|
||||
diff --git a/src/config.h.cmake b/src/config.h.cmake
|
||||
index 1c59c67699..26e5dde94f 100644
|
||||
--- a/src/config.h.cmake
|
||||
+++ b/src/config.h.cmake
|
||||
@@ -182,8 +182,8 @@
|
||||
#define OB_MODULE_PATH "@OB_MODULE_PATH@"
|
||||
|
||||
#ifndef TIME_WITH_SYS_TIME
|
||||
- #ifdef HAVE_SYS_TIME
|
||||
- #ifdef HAVE_TIME
|
||||
+ #ifdef HAVE_SYS_TIME_H
|
||||
+ #ifdef HAVE_TIME_H
|
||||
#define TIME_WITH_SYS_TIME 1
|
||||
#else
|
||||
#define TIME_WITH_SYS_TIME 0
|
39
openbabel-3.1.1-fix_bug2217.patch
Normal file
39
openbabel-3.1.1-fix_bug2217.patch
Normal file
@ -0,0 +1,39 @@
|
||||
From 7de27f309db5f7ec026ef5c5235e5b33bf7d1a85 Mon Sep 17 00:00:00 2001
|
||||
From: John Bollinger <John.Bollinger@StJude.org>
|
||||
Date: Thu, 14 May 2020 08:46:40 -0500
|
||||
Subject: [PATCH] Fix test failure with Python 3
|
||||
|
||||
When run with Python 3.6, test/testdistgeom.py fails with a SyntaxError
|
||||
about a malformed character escape. This arises from a failure to escape
|
||||
literal backslash characters in single-quoted SMILES strings (several
|
||||
occurrences). Python 2 accepts this and does the right things with it,
|
||||
but Python 3 rejects it.
|
||||
|
||||
Fixes #2217
|
||||
---
|
||||
test/testdistgeom.py | 10 +++++-----
|
||||
1 file changed, 5 insertions(+), 5 deletions(-)
|
||||
|
||||
diff --git a/test/testdistgeom.py b/test/testdistgeom.py
|
||||
index 0fa5adb576..fc3a7515b9 100644
|
||||
--- a/test/testdistgeom.py
|
||||
+++ b/test/testdistgeom.py
|
||||
@@ -42,13 +42,13 @@ def testSMItoSMI(self):
|
||||
'C1CC[C@H]2[C@@H](C1)CCCC2', # cis-decalin
|
||||
'C1CC[C@@H]2[C@@H](C1)CCCC2', # trans-decalin
|
||||
'[C@H]1(NC[C@H]2[C@H]1N2)OC',
|
||||
- 'Clc1cccc(Cl)c1\C=N\NC(=O)c1cccs1',
|
||||
- 'O=C1NC(=S)S\C1=C/c1ccco1',
|
||||
+ 'Clc1cccc(Cl)c1\\C=N\\NC(=O)c1cccs1',
|
||||
+ 'O=C1NC(=S)S\\C1=C/c1ccco1',
|
||||
'S=C1NC(=O)/C(=C/c2ccco2)/S1',
|
||||
- 'O=C1NC(=S)N\C1=C\c1ccncc1',
|
||||
+ 'O=C1NC(=S)N\\C1=C\\c1ccncc1',
|
||||
'S=C1NC(=O)C(=C)N1',
|
||||
- 'CC(=O)N\N=C\c1ccncc1',
|
||||
- 'N/N=c/1\sc2c(n1C)cccc2',
|
||||
+ 'CC(=O)N\\N=C\\c1ccncc1',
|
||||
+ 'N/N=c/1\\sc2c(n1C)cccc2',
|
||||
'OCCN/C=C\\1/C(=NN(C1=O)c1ccccc1)C',
|
||||
'Cc1ccc(o1)/C=C/C=O',
|
||||
# disabled to make test run faster:
|
34
openbabel-3.1.1-fix_bug2223.patch
Normal file
34
openbabel-3.1.1-fix_bug2223.patch
Normal file
@ -0,0 +1,34 @@
|
||||
From b75c392b75b3494d9dae15176f38facf7e61db17 Mon Sep 17 00:00:00 2001
|
||||
From: John Bollinger <John.Bollinger@StJude.org>
|
||||
Date: Fri, 15 May 2020 11:30:27 -0500
|
||||
Subject: [PATCH] Fix UB in UFF parameter parsing
|
||||
|
||||
When evaluating atom coordination number, method
|
||||
OBForceFieldUFF::ParseParamFile() assumed that it may access a third character
|
||||
of the atom type string, but in fact that produces undefined behavior if the
|
||||
string is only one character long. A one-character atom type occurs in
|
||||
practice with the default parameter file (for deuterium).
|
||||
|
||||
This change addresses the issue by verifying that the second character of
|
||||
each atom type string is not a C string terminator as a precondition for
|
||||
accessing the third. If the second is a string terminator then the same
|
||||
default behavior is provided as if the type were two characters long.
|
||||
|
||||
Fixes #2223
|
||||
---
|
||||
src/forcefields/forcefielduff.cpp | 2 +-
|
||||
1 file changed, 1 insertion(+), 1 deletion(-)
|
||||
|
||||
diff --git a/src/forcefields/forcefielduff.cpp b/src/forcefields/forcefielduff.cpp
|
||||
index 9bff879c9c..2e98e0e804 100644
|
||||
--- a/src/forcefields/forcefielduff.cpp
|
||||
+++ b/src/forcefields/forcefielduff.cpp
|
||||
@@ -1647,7 +1647,7 @@ namespace OpenBabel {
|
||||
parameter.b = 0; // used for tracking number of angles in 5-coordinate
|
||||
parameter.c = 0;
|
||||
|
||||
- char coord = vs[1][2]; // 3rd character of atom type
|
||||
+ char coord = vs[1][1] ? vs[1][2] : '\0'; // 3rd character of atom type, if any
|
||||
switch (coord) {
|
||||
case '1': // linear
|
||||
parameter._ipar.push_back(1);
|
21
openbabel-disable-tests-s390x.patch
Normal file
21
openbabel-disable-tests-s390x.patch
Normal file
@ -0,0 +1,21 @@
|
||||
diff -up a/test/CMakeLists.txt.s390x b/test/CMakeLists.txt
|
||||
--- a/test/CMakeLists.txt.s390x 2016-10-10 17:56:17.000000000 +0200
|
||||
+++ b/test/CMakeLists.txt 2019-01-27 19:32:21.568052461 +0100
|
||||
@@ -74,7 +74,7 @@
|
||||
)
|
||||
set (atom_parts 1 2 3 4)
|
||||
set (ffmmff94_parts 1 2 3 4 5 6)
|
||||
-set (math_parts 1 2 3 4)
|
||||
+set (math_parts 1 2 3)
|
||||
set (pdbreadfile_parts 1 2 3 4)
|
||||
|
||||
if(BUILD_SHARED)
|
||||
@@ -250,8 +250,6 @@
|
||||
include(UsePythonTest)
|
||||
set(pybindtests
|
||||
bindings
|
||||
- _pybel
|
||||
- example
|
||||
obconv_writers
|
||||
cdjsonformat
|
||||
pcjsonformat
|
@ -1,16 +1,16 @@
|
||||
diff -up openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/test/CMakeLists.txt.some_arches openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/test/CMakeLists.txt
|
||||
--- openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/test/CMakeLists.txt.some_arches 2016-02-16 23:47:25.000000000 +0100
|
||||
+++ openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/test/CMakeLists.txt 2016-02-19 08:30:52.620492855 +0100
|
||||
@@ -34,7 +34,7 @@ set (implicitH_parts 1)
|
||||
set (lssr_parts 1 2 3 4 5)
|
||||
set (isomorphism_parts 1 2 3 4 5 6 7 8)
|
||||
diff -up a/test/CMakeLists.txt.tests b/test/CMakeLists.txt
|
||||
--- a/test/CMakeLists.txt.tests 2016-09-21 21:55:37.000000000 +0200
|
||||
+++ b/test/CMakeLists.txt 2016-10-10 13:48:52.726803964 +0200
|
||||
@@ -39,7 +39,7 @@
|
||||
set (isomorphism_parts 1 2 3 4 5 6 7 8 9)
|
||||
set (multicml_parts 1)
|
||||
-set (regressions_parts 1 221 222)
|
||||
+set (regressions_parts 222)
|
||||
set (periodic_parts 1 2 3 4)
|
||||
-set (regressions_parts 1 221 222 223 224 225 226 227 228 240 241 242 1794 2111)
|
||||
+set (regressions_parts 222 223 224)
|
||||
set (rotor_parts 1 2 3 4)
|
||||
set (shuffle_parts 1 2 3 4 5)
|
||||
set (smiles_parts 1 2 3)
|
||||
@@ -177,7 +177,7 @@ if(WITH_INCHI)
|
||||
@@ -188,7 +188,7 @@
|
||||
set_target_properties(test_inchiwrite PROPERTIES LINK_SEARCH_END_STATIC TRUE)
|
||||
endif()
|
||||
# files in test/inchi -- both .sdf and .txt
|
||||
@ -19,11 +19,11 @@ diff -up openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/test/CMakeLists.txt.
|
||||
set(inchidata ${CMAKE_SOURCE_DIR}/test/inchi)
|
||||
foreach(test ${inchitests})
|
||||
add_test(inchi${test}_Test
|
||||
@@ -215,7 +215,7 @@ if(NOT MINGW AND NOT CYGWIN)
|
||||
@@ -226,7 +226,7 @@
|
||||
include(UsePythonTest)
|
||||
if(PYTHON_EXECUTABLE)
|
||||
set(pytests
|
||||
- babel sym smartssym fastsearch unique kekule pdbformat)
|
||||
- babel sym smartssym fastsearch distgeom unique kekule pdbformat RInChI)
|
||||
+ babel smartssym fastsearch unique kekule pdbformat)
|
||||
foreach(pytest ${pytests})
|
||||
SET_SOURCE_FILES_PROPERTIES(test${pytest}.py PROPERTIES
|
12
openbabel-fix-libdir-in-pkgconfig.patch
Normal file
12
openbabel-fix-libdir-in-pkgconfig.patch
Normal file
@ -0,0 +1,12 @@
|
||||
diff -up a/openbabel-3.pc.cmake.p b/openbabel-3.pc.cmake
|
||||
--- a/openbabel-3.pc.cmake.p
|
||||
+++ b/openbabel-3.pc.cmake
|
||||
@@ -1,6 +1,6 @@
|
||||
prefix=@CMAKE_INSTALL_PREFIX@
|
||||
exec_prefix=${prefix}
|
||||
-libdir=${exec_prefix}/@LIB_INSTALL_DIR@
|
||||
+libdir=${exec_prefix}/lib@LIB_SUFFIX@
|
||||
includedir=${prefix}/include
|
||||
pkgincludedir=${includedir}/openbabel@BABEL_MAJ_VER@
|
||||
|
||||
|
502
openbabel-inchi-license-lgpl-2.1.txt
Normal file
502
openbabel-inchi-license-lgpl-2.1.txt
Normal file
@ -0,0 +1,502 @@
|
||||
GNU LESSER GENERAL PUBLIC LICENSE
|
||||
Version 2.1, February 1999
|
||||
|
||||
Copyright (C) 1991, 1999 Free Software Foundation, Inc.
|
||||
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
|
||||
Everyone is permitted to copy and distribute verbatim copies
|
||||
of this license document, but changing it is not allowed.
|
||||
|
||||
[This is the first released version of the Lesser GPL. It also counts
|
||||
as the successor of the GNU Library Public License, version 2, hence
|
||||
the version number 2.1.]
|
||||
|
||||
Preamble
|
||||
|
||||
The licenses for most software are designed to take away your
|
||||
freedom to share and change it. By contrast, the GNU General Public
|
||||
Licenses are intended to guarantee your freedom to share and change
|
||||
free software--to make sure the software is free for all its users.
|
||||
|
||||
This license, the Lesser General Public License, applies to some
|
||||
specially designated software packages--typically libraries--of the
|
||||
Free Software Foundation and other authors who decide to use it. You
|
||||
can use it too, but we suggest you first think carefully about whether
|
||||
this license or the ordinary General Public License is the better
|
||||
strategy to use in any particular case, based on the explanations below.
|
||||
|
||||
When we speak of free software, we are referring to freedom of use,
|
||||
not price. Our General Public Licenses are designed to make sure that
|
||||
you have the freedom to distribute copies of free software (and charge
|
||||
for this service if you wish); that you receive source code or can get
|
||||
it if you want it; that you can change the software and use pieces of
|
||||
it in new free programs; and that you are informed that you can do
|
||||
these things.
|
||||
|
||||
To protect your rights, we need to make restrictions that forbid
|
||||
distributors to deny you these rights or to ask you to surrender these
|
||||
rights. These restrictions translate to certain responsibilities for
|
||||
you if you distribute copies of the library or if you modify it.
|
||||
|
||||
For example, if you distribute copies of the library, whether gratis
|
||||
or for a fee, you must give the recipients all the rights that we gave
|
||||
you. You must make sure that they, too, receive or can get the source
|
||||
code. If you link other code with the library, you must provide
|
||||
complete object files to the recipients, so that they can relink them
|
||||
with the library after making changes to the library and recompiling
|
||||
it. And you must show them these terms so they know their rights.
|
||||
|
||||
We protect your rights with a two-step method: (1) we copyright the
|
||||
library, and (2) we offer you this license, which gives you legal
|
||||
permission to copy, distribute and/or modify the library.
|
||||
|
||||
To protect each distributor, we want to make it very clear that
|
||||
there is no warranty for the free library. Also, if the library is
|
||||
modified by someone else and passed on, the recipients should know
|
||||
that what they have is not the original version, so that the original
|
||||
author's reputation will not be affected by problems that might be
|
||||
introduced by others.
|
||||
|
||||
Finally, software patents pose a constant threat to the existence of
|
||||
any free program. We wish to make sure that a company cannot
|
||||
effectively restrict the users of a free program by obtaining a
|
||||
restrictive license from a patent holder. Therefore, we insist that
|
||||
any patent license obtained for a version of the library must be
|
||||
consistent with the full freedom of use specified in this license.
|
||||
|
||||
Most GNU software, including some libraries, is covered by the
|
||||
ordinary GNU General Public License. This license, the GNU Lesser
|
||||
General Public License, applies to certain designated libraries, and
|
||||
is quite different from the ordinary General Public License. We use
|
||||
this license for certain libraries in order to permit linking those
|
||||
libraries into non-free programs.
|
||||
|
||||
When a program is linked with a library, whether statically or using
|
||||
a shared library, the combination of the two is legally speaking a
|
||||
combined work, a derivative of the original library. The ordinary
|
||||
General Public License therefore permits such linking only if the
|
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|
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||||
END OF TERMS AND CONDITIONS
|
||||
|
||||
How to Apply These Terms to Your New Libraries
|
||||
|
||||
If you develop a new library, and you want it to be of the greatest
|
||||
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|
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|
||||
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|
||||
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|
||||
|
||||
To apply these terms, attach the following notices to the library. It is
|
||||
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|
||||
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|
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|
||||
<one line to give the library's name and a brief idea of what it does.>
|
||||
Copyright (C) <year> <name of author>
|
||||
|
||||
This library is free software; you can redistribute it and/or
|
||||
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|
||||
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|
||||
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|
||||
|
||||
This library is distributed in the hope that it will be useful,
|
||||
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|
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|
||||
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|
||||
|
||||
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|
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|
||||
Also add information on how to contact you by electronic and paper mail.
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||||
You should also get your employer (if you work as a programmer) or your
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|
||||
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|
||||
Yoyodyne, Inc., hereby disclaims all copyright interest in the
|
||||
library `Frob' (a library for tweaking knobs) written by James Random Hacker.
|
||||
|
||||
<signature of Ty Coon>, 1 April 1990
|
||||
Ty Coon, President of Vice
|
||||
|
||||
That's all there is to it!
|
@ -1,33 +0,0 @@
|
||||
diff -up openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/pngformat.cpp.nc openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/pngformat.cpp
|
||||
--- openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/pngformat.cpp.nc 2016-02-16 23:47:25.000000000 +0100
|
||||
+++ openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/pngformat.cpp 2016-02-18 19:01:40.509752461 +0100
|
||||
@@ -218,7 +218,7 @@ bool PNGFormat::ReadMolecule(OBBase* pOb
|
||||
_count=0;
|
||||
_hasInputPngFile=true;
|
||||
}
|
||||
- const char pngheader[] = {-119,80,78,71,13,10,26,10,0};
|
||||
+ const signed char pngheader[] = {-119,80,78,71,13,10,26,10,0};
|
||||
char readbytes[9];
|
||||
ifs.read(readbytes, 8);
|
||||
|
||||
diff -up openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/yasaraformat.cpp.nc openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/yasaraformat.cpp
|
||||
--- openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/yasaraformat.cpp.nc 2016-02-16 23:47:25.000000000 +0100
|
||||
+++ openbabel-3a63a9849f8d9719c5989c43875d51be50c53019/src/formats/yasaraformat.cpp 2016-02-18 23:22:23.786793588 +0100
|
||||
@@ -472,7 +472,7 @@ bool YOBFormat::WriteMolecule(OBBase* pO
|
||||
|
||||
// bool hetatom;
|
||||
char buffer[32],/*resname[4],*/atomname[5];
|
||||
- char double1[8]={0,0,0,0,0,0,-16,0x3f};
|
||||
+ const signed char double1[8]={0,0,0,0,0,0,-16,0x3f};
|
||||
// char *str;
|
||||
int i,j,/*m,q,*/pos;
|
||||
int /*resno,chainNum,link,linktype,*/atoms,element,links/*,chain*/;
|
||||
@@ -500,7 +500,7 @@ bool YOBFormat::WriteMolecule(OBBase* pO
|
||||
mem_set(buffer,0,8);
|
||||
for (i=0;i<4;i++)
|
||||
{ for (j=0;j<4;j++)
|
||||
- { if (i==j) ofs.write(double1,8);
|
||||
+ { if (i==j) ofs.write(reinterpret_cast<const char*>(double1),8);
|
||||
else ofs.write(buffer,8); } }
|
||||
storeint32le(buffer,MOB_INFOEND);
|
||||
storeint32le(&buffer[4],MOB_INFOENDSIZE);
|
@ -1,12 +1,30 @@
|
||||
diff -up openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d/CMakeLists.txt.plugindir openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d/CMakeLists.txt
|
||||
--- openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d/CMakeLists.txt.plugindir 2015-02-07 21:42:44.431479900 +0100
|
||||
+++ openbabel-75414ad4e043f16ba72ae51c7ca60f448576688d/CMakeLists.txt 2015-02-07 21:43:29.000429326 +0100
|
||||
@@ -266,7 +266,7 @@ if(NOT MSVC)
|
||||
}
|
||||
" SCANDIR_NEEDS_CONST)
|
||||
diff -up a/CMakeLists.txt.plugindir b/CMakeLists.txt
|
||||
--- a/CMakeLists.txt.plugindir 2015-02-07 21:42:44.431479900 +0100
|
||||
+++ b/CMakeLists.txt 2015-02-07 21:43:29.000429326 +0100
|
||||
@@ -24,7 +24,7 @@
|
||||
# had too many 1.100.1 releases. :-)
|
||||
set(BABEL_MAJ_VER 3)
|
||||
set(BABEL_MIN_VER 1)
|
||||
-set(BABEL_PATCH_VER 0)
|
||||
+set(BABEL_PATCH_VER 1)
|
||||
|
||||
- set(OB_MODULE_PATH "${CMAKE_INSTALL_PREFIX}/${OB_PLUGIN_INSTALL_DIR}"
|
||||
+ set(OB_MODULE_PATH "${OB_PLUGIN_INSTALL_DIR}"
|
||||
CACHE PATH "Set to system install for bindings only build")
|
||||
add_definitions(-DOB_MODULE_PATH="\\"${OB_MODULE_PATH}\\"")
|
||||
# This should be phased out in preference for just using the target name
|
||||
set(BABEL_LIBRARY openbabel)
|
||||
@@ -750,7 +750,7 @@
|
||||
"${openbabel_BINARY_DIR}/OpenBabel3ConfigVersion.cmake" @ONLY)
|
||||
|
||||
# Now to configure the installed config file.
|
||||
-set(OB_CONFIG_DIR "${LIB_INSTALL_DIR}/cmake/openbabel3")
|
||||
+set(OB_CONFIG_DIR "lib${LIB_SUFFIX}/cmake/openbabel3")
|
||||
set(OpenBabel3_INCLUDE_DIRS "\${OpenBabel3_INSTALL_PREFIX}/${OB_INCLUDE_DIRS}")
|
||||
set(OpenBabel3_LIBRARIES "$<TARGET_FILE:openbabel>")
|
||||
|
||||
--- a/OpenBabel3Config.cmake.orig.in 2020-05-08 17:38:02.000000000 +0200
|
||||
+++ b/OpenBabel3Config.cmake.in 2022-09-29 21:36:17.995630395 +0200
|
||||
@@ -1,5 +1,5 @@
|
||||
# The OpenBabel3 config file. To get the targets include the exports file.
|
||||
-get_filename_component(OpenBabel3_INSTALL_PREFIX "${OpenBabel3_DIR}@REL_REF@"
|
||||
+get_filename_component(OpenBabel3_INSTALL_PREFIX "/usr"
|
||||
ABSOLUTE)
|
||||
|
||||
set(OpenBabel3_VERSION_MAJOR "@BABEL_MAJ_VER@")
|
||||
|
459
openbabel.spec
459
openbabel.spec
@ -1,45 +1,80 @@
|
||||
%global commit 3a63a9849f8d9719c5989c43875d51be50c53019
|
||||
%global shortcommit %(c=%{commit}; echo ${c:0:7})
|
||||
|
||||
%{!?perl_vendorarch:%global perl_vendorarch %(eval "`perl -V:installvendorarch`"; echo $installvendorarch)}
|
||||
%{!?python2_sitearch:%global python2_sitearch %(%{__python} -c "from distutils.sysconfig import get_python_lib; print get_python_lib(1)")}
|
||||
|
||||
# we don't want to provide private Perl or Python extension libs
|
||||
%global __provides_exclude_from ^(%{perl_vendorarch}/auto|%{python2_sitearch}|%{python3_sitearch})/.*\\.so$
|
||||
%global __provides_exclude_from ^(%{perl_vendorarch}/auto|%{python3_sitearch})/.*\\.so$
|
||||
|
||||
# Avoid LTO flags in these architectures:
|
||||
# eigen3/Eigen/src/Core/arch/AltiVec/MatrixProduct.h:1199:26:
|
||||
# error: inlining failed in call to 'always_inline' 'Eigen::internal::bload<Eigen::internal::blas_data_mapper<double, long, 0, 0, 1>, double __vector(2), long, 2l, 0,
|
||||
%if 0%{?rhel}
|
||||
%ifarch %{power64}
|
||||
%define _lto_cflags %{nil}
|
||||
%endif
|
||||
%endif
|
||||
|
||||
Name: openbabel
|
||||
Version: 2.3.90
|
||||
Release: 0.11.20160216git%{shortcommit}%{?dist}
|
||||
Version: 3.1.1
|
||||
Release: 18%{?dist}
|
||||
Summary: Chemistry software file format converter
|
||||
License: GPLv2
|
||||
Group: Applications/File
|
||||
URL: http://openbabel.org/
|
||||
Source0: https://github.com/openbabel/openbabel/archive/%{commit}/openbabel-%{commit}.tar.gz
|
||||
License: GPL-2.0-only
|
||||
URL: https://openbabel.org/
|
||||
Source0: https://github.com/openbabel/openbabel/archive/openbabel-openbabel-%(echo %{version} | tr '.' '-').tar.gz
|
||||
Source1: obgui.desktop
|
||||
Source2: openbabel-inchi-license-lgpl-2.1.txt
|
||||
|
||||
# fix perl modules install path
|
||||
Patch1: %{name}-perl.patch
|
||||
# fix plugin directory location (#680292, patch by lg)
|
||||
Patch4: openbabel-plugindir.patch
|
||||
Patch0: %{name}-perl.patch
|
||||
|
||||
# fix openbabel version + cmake config files
|
||||
Patch1: %{name}-plugindir.patch
|
||||
|
||||
# fix SWIG_init even when not using swig (#772149)
|
||||
Patch6: openbabel-noswig-rubymethod.patch
|
||||
Patch2: %{name}-noswig-rubymethod.patch
|
||||
|
||||
# On F-17, directory for C ruby files changed to use vendorarch directory
|
||||
Patch7: openbabel-ruby19-vendorarch.patch
|
||||
Patch3: %{name}-ruby19-vendorarch.patch
|
||||
|
||||
# temporarily disable some tests on:
|
||||
# - ppc64 and s390(x) to unblock other builds (#1108103)
|
||||
# - ARM (#1094491)
|
||||
# - aarch64 (#1094513)
|
||||
# Upstream bugs: https://sourceforge.net/p/openbabel/bugs/927/ https://sourceforge.net/p/openbabel/bugs/945/
|
||||
Patch8: openbabel-disable-tests-some-arches.patch
|
||||
Patch9: openbabel-narrowing-conversion.patch
|
||||
BuildRequires: cmake
|
||||
Patch4: %{name}-disable-tests.patch
|
||||
|
||||
# Fix path to libdir in .pc file
|
||||
# https://bugzilla.redhat.com/show_bug.cgi?id=1669664
|
||||
Patch5: %{name}-fix-libdir-in-pkgconfig.patch
|
||||
|
||||
# Math 4 test is failing on s390x only
|
||||
Patch6: %{name}-disable-tests-s390x.patch
|
||||
|
||||
Patch7: %{name}-3.1.1-fix_bug2223.patch
|
||||
Patch8: %{name}-3.1.1-fix_bug2217.patch
|
||||
Patch9: %{name}-3.1.1-bug2378.patch
|
||||
Patch10: %{name}-3.1.1-bug2493.patch
|
||||
|
||||
BuildRequires: make
|
||||
%if 0%{?el7}
|
||||
BuildRequires: boost169-devel
|
||||
%else
|
||||
BuildRequires: boost-devel
|
||||
%endif
|
||||
BuildRequires: swig
|
||||
BuildRequires: cmake3
|
||||
BuildRequires: dos2unix
|
||||
BuildRequires: desktop-file-utils
|
||||
BuildRequires: eigen3-devel
|
||||
BuildRequires: gcc-c++
|
||||
%if 0%{?fedora}
|
||||
BuildRequires: inchi-devel >= 1.0.3
|
||||
BuildRequires: libxml2-devel
|
||||
BuildRequires: swig
|
||||
BuildRequires: wxGTK-devel
|
||||
%else
|
||||
BuildRequires: wxGTK3-devel
|
||||
%endif
|
||||
BuildRequires: libxml2-devel
|
||||
BuildRequires: ImageMagick
|
||||
BuildRequires: rapidjson-devel
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
|
||||
%description
|
||||
Open Babel is a free, open-source version of the Babel chemistry file
|
||||
@ -56,9 +91,7 @@ software.
|
||||
|
||||
%package devel
|
||||
Summary: Development tools for programs which will use the Open Babel library
|
||||
Group: Development/Libraries
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
Requires: pkgconfig
|
||||
|
||||
%description devel
|
||||
The %{name}-devel package includes the header files and libraries
|
||||
@ -66,7 +99,6 @@ necessary for developing programs using the Open Babel library.
|
||||
|
||||
%package doc
|
||||
Summary: Additional documentation for the Open Babel library
|
||||
Group: Documentation
|
||||
BuildArch: noarch
|
||||
|
||||
%description doc
|
||||
@ -74,7 +106,7 @@ This package contains additional documentation for Open Babel.
|
||||
|
||||
%package gui
|
||||
Summary: Chemistry software file format converter - GUI version
|
||||
Group: Applications/File
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
|
||||
%description gui
|
||||
Open Babel is a free, open-source version of the Babel chemistry file
|
||||
@ -87,7 +119,10 @@ This package contains the graphical interface.
|
||||
|
||||
%package libs
|
||||
Summary: Chemistry software file format converter - libraries
|
||||
Group: System Environment/Libraries
|
||||
%if 0%{?rhel}
|
||||
License: GPL-2.0-only AND LGPL-2.1-or-later
|
||||
Provides: bundled(libinchi) = 1.0.4
|
||||
%endif
|
||||
|
||||
%description libs
|
||||
Open Babel is a free, open-source version of the Babel chemistry file
|
||||
@ -100,9 +135,7 @@ This package contains the C++ library, which includes all of the
|
||||
file-translation code.
|
||||
|
||||
%package -n perl-%{name}
|
||||
Group: System Environment/Libraries
|
||||
Summary: Perl wrapper for the Open Babel library
|
||||
Requires: perl(:MODULE_COMPAT_%(eval "`%{__perl} -V:version`"; echo $version))
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
BuildRequires: perl-devel
|
||||
BuildRequires: perl-generators
|
||||
@ -110,29 +143,19 @@ BuildRequires: perl-generators
|
||||
%description -n perl-%{name}
|
||||
Perl wrapper for the Open Babel library.
|
||||
|
||||
%package -n python2-%{name}
|
||||
Group: System Environment/Libraries
|
||||
Summary: Python wrapper for the Open Babel library
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
BuildRequires: python2-devel
|
||||
%{?python_provide:%python_provide python2-%{name}}
|
||||
|
||||
%description -n python2-%{name}
|
||||
Python2 wrapper for the Open Babel library.
|
||||
|
||||
%package -n python3-%{name}
|
||||
Group: System Environment/Libraries
|
||||
Summary: Python wrapper for the Open Babel library
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
BuildRequires: python3-devel
|
||||
BuildRequires: python3-setuptools
|
||||
%{?python_provide:%python_provide python3-%{name}}
|
||||
Obsoletes: python2-%{name} < 0:%{version}-%{release}
|
||||
|
||||
%description -n python3-%{name}
|
||||
Python3 wrapper for the Open Babel library.
|
||||
|
||||
%package -n ruby-%{name}
|
||||
Summary: Ruby wrapper for the Open Babel library
|
||||
Group: Development/Libraries
|
||||
Requires: ruby(release)
|
||||
Requires: %{name}-libs%{?_isa} = %{version}-%{release}
|
||||
BuildRequires: ruby-devel
|
||||
@ -141,15 +164,36 @@ BuildRequires: ruby-devel
|
||||
Ruby wrapper for the Open Babel library.
|
||||
|
||||
%prep
|
||||
%setup -q -n %{name}-%{commit}
|
||||
%patch1 -p1 -b .perl_path
|
||||
%patch4 -p1 -b .plugindir
|
||||
%patch6 -p1 -b .noswig_ruby
|
||||
%patch7 -p1 -b .ruby_vendor
|
||||
%ifarch %{power64} s390 s390x armv7hl aarch64
|
||||
%patch8 -p1 -b .some_arches
|
||||
%setup -q -n %{name}-%{name}-%(echo %{version} | tr '.' '-')
|
||||
%patch0 -p1 -b .perl_path
|
||||
%patch1 -p1 -b .plugindir
|
||||
%patch2 -p1 -b .noswig_ruby
|
||||
%patch3 -p1 -b .ruby_vendor
|
||||
%ifarch aarch64 %{arm} %{power64} s390x
|
||||
%patch4 -p1 -b .tests
|
||||
%endif
|
||||
%patch9 -p1 -b .nc
|
||||
%patch5 -p1 -b .s390x
|
||||
%ifarch s390x
|
||||
%patch6 -p1 -b .backup
|
||||
%endif
|
||||
%patch7 -p1 -b .backup
|
||||
%patch8 -p1 -b .backup
|
||||
%patch9 -p1 -b .backup
|
||||
%patch10 -p1 -b .backup
|
||||
|
||||
%if 0%{?fedora}
|
||||
rm -rf src/formats/libinchi
|
||||
%else
|
||||
cp -p %{SOURCE2} ./inchi-license-lgpl-2.1.txt
|
||||
%endif
|
||||
|
||||
# convert to Unix line endings
|
||||
dos2unix -k \
|
||||
data/chemdrawcdx.h \
|
||||
include/openbabel/{tautomer.h,math/align.h} \
|
||||
src/math/align.cpp \
|
||||
test/testsmartssym.py \
|
||||
|
||||
convert src/GUI/babel.xpm -transparent white babel.png
|
||||
|
||||
# Remove duplicate html files
|
||||
@ -162,82 +206,111 @@ for man in *.1; do
|
||||
done
|
||||
popd
|
||||
|
||||
mkdir python3
|
||||
for f in *; do
|
||||
if [ "$f" != "python3" ]; then
|
||||
cp -a $f python3/
|
||||
fi
|
||||
done
|
||||
|
||||
%build
|
||||
%cmake \
|
||||
mkdir -p %{_target_platform}
|
||||
%if 0%{?fedora} || 0%{?eln}
|
||||
# RHBZ #1996330
|
||||
%ifarch %{power64}
|
||||
export CXXFLAGS="%{optflags} -DEIGEN_ALTIVEC_DISABLE_MMA"
|
||||
%endif
|
||||
%endif
|
||||
%cmake3 -B %{_target_platform} \
|
||||
-Wno-dev \
|
||||
-DCMAKE_SKIP_RPATH:BOOL=ON \
|
||||
-DBUILD_GUI:BOOL=ON \
|
||||
-DPYTHON_BINDINGS:BOOL=ON \
|
||||
-DPYTHON_EXECUTABLE=%{__python2} \
|
||||
-DPYTHON_EXECUTABLE=%{__python3} \
|
||||
-DPERL_BINDINGS:BOOL=ON \
|
||||
-DRUBY_BINDINGS:BOOL=ON \
|
||||
-DWITH_MAEPARSER:BOOL=OFF \
|
||||
-DWITH_COORDGEN:BOOL=OFF \
|
||||
-DOB_PLUGIN_INSTALL_DIR:PATH=%{_lib}/openbabel3 \
|
||||
%if 0%{?rhel}
|
||||
-DOPENBABEL_USE_SYSTEM_INCHI=false \
|
||||
%else
|
||||
-DOPENBABEL_USE_SYSTEM_INCHI=true \
|
||||
%endif
|
||||
-DENABLE_VERSIONED_FORMATS=false \
|
||||
-DRUN_SWIG=true \
|
||||
-DENABLE_TESTS:BOOL=ON \
|
||||
-DOPTIMIZE_NATIVE=OFF \
|
||||
.
|
||||
make VERBOSE=1 %{?_smp_mflags}
|
||||
-DGLIBC_24_COMPATIBLE:BOOL=OFF \
|
||||
%if 0%{?el7}
|
||||
-DBoost_FILESYSTEM_LIBRARY_RELEASE:FILEPATH=%{_libdir}/boost169/libboost_filesystem.so \
|
||||
-DBoost_SERIALIZATION_LIBRARY_RELEASE:FILEPATH=%{_libdir}/boost169/libboost_serialization.so \
|
||||
-DBoost_SYSTEM_LIBRARY_RELEASE:FILEPATH=%{_libdir}/boost169/libboost_system.so \
|
||||
-DBoost_INCLUDE_DIR:PATH=%{_includedir}/boost169 \
|
||||
-DBoost_LIBRARY_DIR_RELEASE:PATH=%{_libdir}/boost169
|
||||
%endif
|
||||
|
||||
BUILD_DIR=$PWD
|
||||
pushd python3
|
||||
%cmake \
|
||||
-DCMAKE_SKIP_RPATH:BOOL=ON \
|
||||
-DBUILD_GUI:BOOL=OFF \
|
||||
-DPYTHON_BINDINGS:BOOL=ON \
|
||||
-DPYTHON_EXECUTABLE=%{__python3} \
|
||||
-DPERL_BINDINGS:BOOL=OFF \
|
||||
-DRUBY_BINDINGS:BOOL=OFF \
|
||||
-DOPENBABEL_USE_SYSTEM_INCHI=true \
|
||||
-DENABLE_VERSIONED_FORMATS=false \
|
||||
-DRUN_SWIG=true \
|
||||
-DENABLE_TESTS:BOOL=OFF \
|
||||
-DOPTIMIZE_NATIVE=OFF \
|
||||
-DBINDINGS_ONLY:BOOL=ON \
|
||||
-DBABEL_SYSTEM_LIBRARY=$BUILD_DIR/%{_lib}/libopenbabel.so \
|
||||
.
|
||||
make VERBOSE=1 %{?_smp_mflags} bindings_python
|
||||
popd
|
||||
%make_build -C %{_target_platform}
|
||||
|
||||
%install
|
||||
make VERBOSE=1 DESTDIR=%{buildroot} install
|
||||
pushd python3
|
||||
export DESTDIR=%{buildroot}
|
||||
%cmake -DCOMPONENT=bindings_python -P cmake_install.cmake
|
||||
popd
|
||||
%make_install -C %{_target_platform}
|
||||
|
||||
rm %{buildroot}%{_libdir}/cmake/openbabel2/*.cmake
|
||||
rm -f %{buildroot}%{_libdir}/cmake/openbabel2/*.cmake
|
||||
|
||||
desktop-file-install --dir=%{buildroot}%{_datadir}/applications %{SOURCE1}
|
||||
install -Dpm644 babel.png %{buildroot}%{_datadir}/pixmaps/babel.png
|
||||
|
||||
# Create profile files
|
||||
mkdir -p %{buildroot}%{_sysconfdir}/profile.d
|
||||
cat > %{buildroot}%{_sysconfdir}/profile.d/openbabel3.sh <<EOF
|
||||
BABEL_LIBDIR=%{_libdir}/%{name}3
|
||||
export BABEL_LIBDIR
|
||||
BABEL_DATADIR=%{_datadir}/%{name}
|
||||
export BABEL_DATADIR
|
||||
EOF
|
||||
cat > %{buildroot}%{_sysconfdir}/profile.d/openbabel3.csh <<EOF
|
||||
setenv BABEL_LIBDIR %{_libdir}/%{name}3
|
||||
setenv BABEL_DATADIR %{_datadir}/%{name}
|
||||
EOF
|
||||
|
||||
%if 1
|
||||
%check
|
||||
# rm the built ruby bindings for testsuite to succeed (bug #1191173)
|
||||
rm %{_lib}/openbabel.so
|
||||
%define _vpath_builddir %{_target_platform}
|
||||
pushd %{_vpath_builddir}
|
||||
|
||||
# rm the built ruby bindings for testsuite to succeed (Red Hat bugzilla ticket #1191173)
|
||||
rm -f %{_lib}/openbabel.so
|
||||
|
||||
export CTEST_OUTPUT_ON_FAILURE=1
|
||||
make test
|
||||
export PYTHONPATH=%{buildroot}%{python3_sitearch}
|
||||
%if 0%{?el7}
|
||||
ctest3 -j1 --force-new-ctest-process -E 'test_cifspacegroup_1|test_cifspacegroup_2'
|
||||
%else
|
||||
# See https://github.com/openbabel/openbabel/issues/2138
|
||||
%ifarch aarch64 %{arm} %{power64} s390x
|
||||
ctest3 -j1 --force-new-ctest-process -E 'pybindtest_bindings|pybindtest_obconv_writers'
|
||||
%else
|
||||
ctest3 -j1 --force-new-ctest-process
|
||||
%endif
|
||||
%endif
|
||||
%endif
|
||||
|
||||
%post libs -p /sbin/ldconfig
|
||||
%postun libs -p /sbin/ldconfig
|
||||
%if 0%{?el7}
|
||||
%ldconfig_scriptlets libs
|
||||
%endif
|
||||
|
||||
%files
|
||||
%{_bindir}/babel
|
||||
%config(noreplace) %{_sysconfdir}/profile.d/openbabel3.sh
|
||||
%config(noreplace) %{_sysconfdir}/profile.d/openbabel3.csh
|
||||
%{_bindir}/ob*
|
||||
%{_bindir}/roundtrip
|
||||
%{_mandir}/man1/*.1*
|
||||
%exclude %{_bindir}/obgui
|
||||
%exclude %{_mandir}/man1/obgui.1*
|
||||
|
||||
%files devel
|
||||
%{_includedir}/%{name}-2.0
|
||||
%{_includedir}/%{name}3/
|
||||
%{_libdir}/libopenbabel.so
|
||||
%{_libdir}/pkgconfig/*.pc
|
||||
%{_libdir}/libopenbabel.so.7
|
||||
%{_libdir}/pkgconfig/openbabel-3.pc
|
||||
%{_libdir}/cmake/openbabel3/
|
||||
%if 0%{?rhel}
|
||||
%{_libdir}/libinchi.so
|
||||
%{_includedir}/inchi/
|
||||
%endif
|
||||
|
||||
%files doc
|
||||
%doc doc/*.html doc/README* doc/dioxin.*
|
||||
@ -246,34 +319,210 @@ make test
|
||||
%{_bindir}/obgui
|
||||
%{_datadir}/applications/obgui.desktop
|
||||
%{_datadir}/pixmaps/babel.png
|
||||
%{_mandir}/man1/obgui.1*
|
||||
|
||||
%files libs
|
||||
%license COPYING
|
||||
%doc THANKS AUTHORS authors.txt README.md
|
||||
%{_datadir}/%{name}/
|
||||
%{_libdir}/%{name}/
|
||||
%{_libdir}/libopenbabel.so.*
|
||||
%{_libdir}/%{name}3/
|
||||
%{_libdir}/libopenbabel.so.7.0.0
|
||||
%if 0%{?rhel}
|
||||
%license inchi-license-lgpl-2.1.txt
|
||||
%{_libdir}/libinchi.so.0.4.1
|
||||
%{_libdir}/libinchi.so.0
|
||||
%endif
|
||||
|
||||
%files -n perl-%{name}
|
||||
%{perl_vendorarch}/Chemistry/OpenBabel.pm
|
||||
%dir %{perl_vendorarch}/*/Chemistry/OpenBabel
|
||||
%{perl_vendorarch}/*/Chemistry/OpenBabel/OpenBabel.so
|
||||
|
||||
%files -n python2-%{name}
|
||||
%{python2_sitearch}/_openbabel.so
|
||||
%{python2_sitearch}/openbabel.py*
|
||||
%{python2_sitearch}/pybel.py*
|
||||
# Egg-info is not generated in 2.3.2, see upstream bug 837
|
||||
#%%{python_sitearch}/openbabel*.egg-info
|
||||
|
||||
%files -n python3-%{name}
|
||||
%{python3_sitearch}/_openbabel.so
|
||||
%{python3_sitearch}/openbabel.py
|
||||
%{python3_sitearch}/pybel.py
|
||||
%{python3_sitearch}/__pycache__/*
|
||||
%{python3_sitearch}/openbabel/
|
||||
|
||||
%files -n ruby-%{name}
|
||||
%{ruby_vendorarchdir}/openbabel.so
|
||||
|
||||
%changelog
|
||||
* Wed Feb 08 2023 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-18
|
||||
- Fix config files (rhbz#2168290)
|
||||
|
||||
* Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.1-17
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
|
||||
|
||||
* Wed Jan 04 2023 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.1.1-16
|
||||
- Rebuild for https://fedoraproject.org/wiki/Changes/Ruby_3.2
|
||||
|
||||
* Thu Sep 29 2022 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-15
|
||||
- Fix openbabel version in CMakeLists.txt
|
||||
- Fix rhbz#2130870
|
||||
|
||||
* Tue Sep 27 2022 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-14
|
||||
- Fix EPEL builds
|
||||
|
||||
* Tue Sep 27 2022 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-13
|
||||
- New rebuild
|
||||
|
||||
* Sun Aug 07 2022 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-12
|
||||
- Add profile file openbabel3.sh (rhbz#2112710)
|
||||
|
||||
* Thu Aug 04 2022 Scott Talbert <swt@techie.net> - 3.1.1-11
|
||||
- Rebuild with wxWidgets 3.2
|
||||
|
||||
* Fri Jul 22 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.1-10
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
|
||||
|
||||
* Fri Jul 08 2022 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-9
|
||||
- Patched for rhbz#2105259
|
||||
|
||||
* Mon Jun 13 2022 Python Maint <python-maint@redhat.com> - 3.1.1-8
|
||||
- Rebuilt for Python 3.11
|
||||
|
||||
* Mon May 30 2022 Jitka Plesnikova <jplesnik@redhat.com> - 3.1.1-7
|
||||
- Perl 5.36 rebuild
|
||||
|
||||
* Thu Jan 27 2022 Vít Ondruch <vondruch@redhat.com> - 3.1.1-6
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Changes/Ruby_3.1
|
||||
|
||||
* Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.1.1-5
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild
|
||||
|
||||
* Sun Dec 12 2021 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-4
|
||||
- Use bundled inchi on EPEL
|
||||
|
||||
* Sat Nov 06 2021 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-3
|
||||
- Fix CMake config file
|
||||
|
||||
* Wed Sep 22 2021 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-2
|
||||
- Fix patches order
|
||||
|
||||
- Release 3.1.1
|
||||
|
||||
* Thu Sep 02 2021 Antonio Trande <sagitter@fedoraproject.org> - 3.1.1-1
|
||||
* Wed Sep 01 2021 Antonio Trande <sagitter@fedoraproject.org> - 2.4.1-39
|
||||
- Install license file and some release documentation
|
||||
|
||||
* Mon Aug 30 2021 Antonio Trande <sagitter@fedoraproject.org> - 2.4.1-38
|
||||
- Use CMake3 in EPEL7
|
||||
|
||||
* Thu Jul 22 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-37
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
|
||||
|
||||
* Fri Jun 04 2021 Python Maint <python-maint@redhat.com> - 2.4.1-36
|
||||
- Rebuilt for Python 3.10
|
||||
|
||||
* Fri May 21 2021 Jitka Plesnikova <jplesnik@redhat.com> - 2.4.1-35
|
||||
- Perl 5.34 rebuild
|
||||
|
||||
* Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-34
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
|
||||
|
||||
* Wed Jan 06 2021 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.4.1-33
|
||||
- F-34: rebuild against ruby 3.0
|
||||
|
||||
* Thu Jul 30 2020 Rex Dieter <rdieter@fedoraproject.org> - 2.4.1-32
|
||||
- adjust for new %%cmake macros (#1859850)
|
||||
|
||||
* Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-31
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild
|
||||
|
||||
* Mon Jun 22 2020 Jitka Plesnikova <jplesnik@redhat.com> - 2.4.1-30
|
||||
- Perl 5.32 rebuild
|
||||
|
||||
* Tue May 26 2020 Miro Hrončok <mhroncok@redhat.com> - 2.4.1-29
|
||||
- Rebuilt for Python 3.9
|
||||
|
||||
* Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-28
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
|
||||
|
||||
* Sun Jan 19 2020 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.4.1-27
|
||||
- F-32: rebuild against ruby27
|
||||
|
||||
* Thu Oct 03 2019 Miro Hrončok <mhroncok@redhat.com> - 2.4.1-26
|
||||
- Rebuilt for Python 3.8.0rc1 (#1748018)
|
||||
|
||||
* Mon Aug 19 2019 Miro Hrončok <mhroncok@redhat.com> - 2.4.1-25
|
||||
- Rebuilt for Python 3.8
|
||||
|
||||
* Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-24
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
|
||||
|
||||
* Tue Jun 18 2019 Petr Pisar <ppisar@redhat.com> - 2.4.1-23
|
||||
- Obsolete by name only (bug #1685183)
|
||||
|
||||
* Thu May 30 2019 Jitka Plesnikova <jplesnik@redhat.com> - 2.4.1-22
|
||||
- Perl 5.30 rebuild
|
||||
|
||||
* Fri Mar 01 2019 Dominik Mierzejewski <rpm@greysector.net> - 2.4.1-21
|
||||
- drop python2 subpackage (#1648558)
|
||||
- fix running the testsuite with python3
|
||||
- fix line endings for some source files
|
||||
|
||||
* Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-20
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
|
||||
|
||||
* Mon Jan 28 2019 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.4.1-19
|
||||
- F-30: rebuild again against ruby26
|
||||
|
||||
* Sun Jan 27 2019 Dominik Mierzejewski <rpm@greysector.net> - 2.4.1-18
|
||||
- Fix path to libdir in .pc (#1669664)
|
||||
- Use https for URL:
|
||||
- Exclude obgui from the main openbabel package
|
||||
- Disable failing test on s390x/F29+
|
||||
|
||||
* Mon Jan 21 2019 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.4.1-17
|
||||
- F-30: rebuild against ruby26
|
||||
|
||||
* Wed Nov 07 2018 Scott Talbert <swt@techie.net> - 2.4.1-16
|
||||
- Rebuild with wxWidgets 3.0
|
||||
- Exclude obgui from the main openbabel package
|
||||
|
||||
* Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-15
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
|
||||
|
||||
* Tue Jul 03 2018 Petr Pisar <ppisar@redhat.com> - 2.4.1-14
|
||||
- Perl 5.28 rebuild
|
||||
|
||||
* Wed Jun 27 2018 Jitka Plesnikova <jplesnik@redhat.com> - 2.4.1-13
|
||||
- Perl 5.28 rebuild
|
||||
|
||||
* Tue Jun 19 2018 Miro Hrončok <mhroncok@redhat.com> - 2.4.1-12
|
||||
- Rebuilt for Python 3.7
|
||||
|
||||
* Thu Feb 08 2018 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-11
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
|
||||
|
||||
* Sat Jan 20 2018 Björn Esser <besser82@fedoraproject.org> - 2.4.1-10
|
||||
- Rebuilt for switch to libxcrypt
|
||||
|
||||
* Fri Jan 05 2018 Mamoru TASAKA <mtasaka@fedoraproject.org> - 2.4.1-9
|
||||
- F-28: rebuild for ruby25
|
||||
|
||||
* Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-8
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
|
||||
|
||||
* Thu Jul 27 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-7
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
|
||||
|
||||
* Sun Jun 04 2017 Jitka Plesnikova <jplesnik@redhat.com> - 2.4.1-6
|
||||
- Perl 5.26 rebuild
|
||||
|
||||
* Sat Feb 11 2017 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.1-5
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild
|
||||
|
||||
* Thu Jan 12 2017 Vít Ondruch <vondruch@redhat.com> - 2.4.1-4
|
||||
- Rebuilt for https://fedoraproject.org/wiki/Changes/Ruby_2.4
|
||||
|
||||
* Wed Dec 28 2016 Rich Mattes <richmattes@gmail.com> - 2.4.1-3
|
||||
- Rebuild for eigen3-3.3.1
|
||||
|
||||
* Mon Dec 19 2016 Miro Hrončok <mhroncok@redhat.com> - 2.4.1-2
|
||||
- Rebuild for Python 3.6
|
||||
|
||||
* Tue Oct 11 2016 Dominik Mierzejewski <rpm@greysector.net> - 2.4.1-1
|
||||
- update to 2.4.1
|
||||
|
||||
* Tue Jul 19 2016 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.3.90-0.11.20160216git3a63a98
|
||||
- https://fedoraproject.org/wiki/Changes/Automatic_Provides_for_Python_RPM_Packages
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user