diff --git a/.gitignore b/.gitignore index abf96e5..deb4686 100644 --- a/.gitignore +++ b/.gitignore @@ -7,3 +7,4 @@ /Release_2017_03_1.tar.gz /Release_2017_03_3.tar.gz /Release_2017_09_1.tar.gz +/Release_2018_03_2.tar.gz diff --git a/rdkit.spec b/rdkit.spec index 8fecb91..2f07a1f 100644 --- a/rdkit.spec +++ b/rdkit.spec @@ -3,18 +3,18 @@ # https://github.com/rtfd/recommonmark/issues/24 %global with_docs 0 -%global with_tests 1 +%global with_tests 0 %global with_py3 1 -%global year 2017 -%global month 09 -%global extraver 3 +%global year 2018 +%global month 03 +%global extraver 2 %global pkgname Release_%{year}_%{month}_%{extraver} %global rootdir rdkit-%{pkgname} Name: rdkit Version: %{year}.%{month}.%{extraver} -Release: 4%{?dist} +Release: 1%{?dist} Summary: Chemical informatics and machine learning toolkit License: BSD URL: http://www.rdkit.org/ @@ -24,7 +24,7 @@ BuildRequires: cmake BuildRequires: flex BuildRequires: bison BuildRequires: python2-devel -BuildRequires: boost-devel +BuildRequires: boost-python2-devel BuildRequires: postgresql-devel BuildRequires: %{_bindir}/pg_config BuildRequires: python2-numpy @@ -75,10 +75,11 @@ BuildRequires: python3-pillow %endif %endif -Patch1: rdkit-2015.03-use_cairo_backend_on_tests.patch -Patch2: rdkit-2014.09-do_not_install_sping.patch -Patch4: rdkit-2014.09-fix_cmake_files_path.patch -Patch7: rdkit-2015.03-dont_install_contrib.patch +Patch0: rdkit-2015.03-use_cairo_backend_on_tests.patch +Patch1: rdkit-2018.03-do_not_install_sping.patch +Patch2: rdkit-2018.03-fix_cmake_files_path.patch +Patch3: rdkit-2018.03.2-fix_libraries_soname.patch +Patch4: rdkit-2015.03-dont_install_contrib.patch %description @@ -132,7 +133,11 @@ Python 3 bindings for RDKit libraries %package postgresql Summary: RDKit cartridge for PostgreSQL Requires: %{name}%{?_isa} = %{version}-%{release} +%if 0%{?fedora} Requires: postgresql-server(:MODULE_COMPAT_%{postgresql_major}) +%else +Requires: postgresql-server +%endif %description postgresql PostgreSQL module for RDKit, which implements *mol* datatype to @@ -151,10 +156,10 @@ the steps detailed in: %setup -c -q -n %{rootdir} mv %{rootdir} python2 pushd python2 +%patch0 -p1 %patch1 -p1 %patch2 -p1 -%patch4 -p1 -%patch7 -p1 +%patch3 -p1 rm -rf rdkit/sping @@ -186,7 +191,9 @@ pushd python2 -D RDK_BUILD_THREADSAFE_SSS:BOOL=ON \ -D RDK_BUILD_CAIRO_SUPPORT:BOOL=ON \ -D RDK_BUILD_PGSQL:BOOL=ON \ - -D RDK_BUILD_DESCRIPTORS3D:BOOL=ON \ + -D RDK_BUILD_DESCRIPTORS3D:BOOL=OFF \ + -D RDK_BUILD_COORDGEN_SUPPORT:BOOL=OFF \ + -D RDK_BUILD_MOLINTERCHANGE_SUPPORT:BOOL=OFF \ -D RDK_PGSQL_STATIC:BOOL=OFF \ -D RDK_INSTALL_STATIC_LIBS:BOOL=OFF \ -D RDK_USE_FLEXBISON:BOOL=ON \ @@ -228,7 +235,9 @@ pushd python3 -D RDK_BUILD_INCHI_SUPPORT:BOOL=ON \ -D RDK_BUILD_THREADSAFE_SSS:BOOL=ON \ -D RDK_BUILD_CAIRO_SUPPORT:BOOL=ON \ - -D RDK_BUILD_DESCRIPTORS3D:BOOL=ON \ + -D RDK_BUILD_DESCRIPTORS3D:BOOL=OFF \ + -D RDK_BUILD_COORDGEN_SUPPORT:BOOL=OFF \ + -D RDK_BUILD_MOLINTERCHANGE_SUPPORT:BOOL=OFF \ -D RDK_BUILD_PGSQL:BOOL=ON \ -D RDK_PGSQL_STATIC:BOOL=OFF \ -D RDK_INSTALL_STATIC_LIBS:BOOL=OFF \ @@ -336,9 +345,16 @@ popd %{_datadir}/pgsql/extension/rdkit.control %changelog +* Mon Jun 25 2018 Gianluca Sforna - 2018.03.2-1 +- upstream release 2018.03.2 +- disable few features to fix build (network access) + * Tue Jun 19 2018 Miro HronĨok - 2017.09.3-4 - Rebuilt for Python 3.7 +* Tue Apr 3 2018 Gianluca Sforna - 2017.09.3-2 +- Fix EPEL build + * Tue Mar 27 2018 Gianluca Sforna - 2017.09.3-1 - upstream release 2017.09.3 @@ -349,7 +365,6 @@ popd * Fri Feb 09 2018 Fedora Release Engineering - 2017.09.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild - * Wed Oct 11 2017 Gianluca Sforna - 2017.09.1-1 - new upstream release - drop upstreamed patch diff --git a/sources b/sources index 8cbb2d4..2e4711e 100644 --- a/sources +++ b/sources @@ -1 +1 @@ -SHA512 (Release_2017_09_1.tar.gz) = c36a62d6e84211251bd7a165e91e4669568d4337898e73c7c70f27c8f00a5d0af206f374d5b12b31ddf8a303d8774e44a058632bb87f93fb160b23885ce25fc9 +SHA512 (Release_2018_03_2.tar.gz) = 2b39e7a79da4d4eabe5a02867f087178c2a6e28bcf6d30180d23b3c30916596ce90ab797bf5a14dbd188c06b0057b1e84b3ad6c6a3f433bf6404f8932c53acfe