[arch-commits] Commit in openbabel/trunk (PKGBUILD system-maeparser.patch)
Antonio Rojas
arojas at archlinux.org
Wed May 6 08:06:24 UTC 2020
Date: Wednesday, May 6, 2020 @ 08:06:23
Author: arojas
Revision: 382371
Update to 3.1.0
Modified:
openbabel/trunk/PKGBUILD
Deleted:
openbabel/trunk/system-maeparser.patch
------------------------+
PKGBUILD | 17 +-
system-maeparser.patch | 280 -----------------------------------------------
2 files changed, 6 insertions(+), 291 deletions(-)
Modified: PKGBUILD
===================================================================
--- PKGBUILD 2020-05-06 07:50:19 UTC (rev 382370)
+++ PKGBUILD 2020-05-06 08:06:23 UTC (rev 382371)
@@ -1,26 +1,21 @@
-# Maintainer:
+# Maintainer: Antonio Rojas <arojas at archlinux.org>
# Contributor: Andrea Scarpino <andrea at archlinux.org>
# Contributor: Damir Perisa <damir.perisa at bluewin.ch>
pkgbase=openbabel
pkgname=(openbabel python-openbabel)
-pkgver=3.0.0
-pkgrel=3
+pkgver=3.1.0
+pkgrel=1
pkgdesc="A library designed to interconvert between many file formats used in molecular modeling and computational chemistry"
arch=('x86_64')
url="https://openbabel.org/wiki/Main_Page"
license=('GPL')
-makedepends=('cmake' 'eigen' 'wxgtk3' 'boost' 'python' 'swig' 'maeparser' 'rapidjson')
-source=("https://github.com/openbabel/openbabel/releases/download/openbabel-${pkgver//./-}/openbabel-$pkgver-source.tar.bz2"
- system-maeparser.patch::"https://github.com/openbabel/openbabel/commit/8500f8a9.patch")
-sha256sums=('aad58ef8deaea9f58faeecb333f87bb18e0bdf4854e3a3b188a814a8c4517259'
- '14d2b019dfb3e4d6d1b8a529e5da8c2ec84b1e599b9ae74913f8548542d0ab4b')
+makedepends=('cmake' 'eigen' 'wxgtk3' 'boost' 'python' 'swig' 'maeparser' 'rapidjson' 'coordgen')
+source=("https://github.com/openbabel/openbabel/releases/download/openbabel-${pkgver//./-}/openbabel-$pkgver-source.tar.bz2")
+sha256sums=('53ff96d53a190097d9a0d5243be2b7c97a6a844129a303e93cbe6e3aaf1723f9')
prepare() {
mkdir -p build
-
- cd $pkgbase-$pkgver
- patch -p1 -i ../system-maeparser.patch # Unbundle maeparser
}
build() {
Deleted: system-maeparser.patch
===================================================================
--- system-maeparser.patch 2020-05-06 07:50:19 UTC (rev 382370)
+++ system-maeparser.patch 2020-05-06 08:06:23 UTC (rev 382371)
@@ -1,280 +0,0 @@
-From e259b6737787d2545f45b63c90f0f27a40e0179f Mon Sep 17 00:00:00 2001
-From: Ricardo R-S <rodriguez at schrodinger.com>
-Date: Wed, 16 Oct 2019 15:57:46 -0400
-Subject: [PATCH 1/7] add Find modules for maeparser and coordgen
-
----
- cmake/modules/Findcoordgen.cmake | 46 +++++++++++++++++++++++++++++++
- cmake/modules/Findmaeparser.cmake | 32 +++++++++++++++++++++
- 2 files changed, 78 insertions(+)
- create mode 100644 cmake/modules/Findcoordgen.cmake
- create mode 100644 cmake/modules/Findmaeparser.cmake
-
-diff --git a/cmake/modules/Findmaeparser.cmake b/cmake/modules/Findmaeparser.cmake
-new file mode 100644
-index 000000000..920b3ec8e
---- /dev/null
-+++ b/cmake/modules/Findmaeparser.cmake
-@@ -0,0 +1,32 @@
-+# Try to find Schrodinger's MAEParser libraries.
-+#
-+# Different version handling is not yet supported
-+#
-+# Once found, this will find and define the following variables:
-+#
-+# maeparser_INCLUDE_DIRS - maeparser's includes directory
-+# maeparser_LIBRARIES - maeparser's shared libraries
-+#
-+#
-+
-+include(FindPackageHandleStandardArgs)
-+
-+find_path(maeparser_INCLUDE_DIRS
-+ NAMES "maeparser/Reader.hpp"
-+ HINTS ${maeparser_DIR}
-+ PATH_SUFFIXES "include"
-+ DOC "include path for maeparser"
-+)
-+message(STATUS "maeparser include dir set as '${maeparser_INCLUDE_DIRS}'")
-+
-+find_library(maeparser_LIBRARIES
-+ NAMES maeparser
-+ HINTS ${maeparser_DIR}
-+ PATH_SUFFIXES "lib"
-+ DOC "libraries for maeparser"
-+)
-+message(STATUS "maeparser libraries set as '${maeparser_LIBRARIES}'")
-+
-+find_package_handle_standard_args(maeparser FOUND_VAR maeparser_FOUND
-+ REQUIRED_VARS maeparser_INCLUDE_DIRS
-+ maeparser_LIBRARIES)
-
-From c4c6ef37d91c8b27e0b8af9f2e4772332caa7cf1 Mon Sep 17 00:00:00 2001
-From: Ricardo R-S <rodriguez at schrodinger.com>
-Date: Wed, 16 Oct 2019 15:59:18 -0400
-Subject: [PATCH 2/7] update CMakelists
-
----
- CMakeLists.txt | 124 ++++++++++++++++++++++++++++++++++++++++++-------
- 1 file changed, 108 insertions(+), 16 deletions(-)
-
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index e8396dd17..26edc9433 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -482,33 +482,65 @@ find_package(Boost)
- if(Boost_FOUND AND BUILD_SHARED)
- include_directories(${Boost_INCLUDE_DIRS} ${Boost_INCLUDE_DIR})
- option(WITH_MAEPARSER "Build Maestro support" ON)
- else()
- option(WITH_MAEPARSER "Build Maestro support" OFF)
- endif()
-
--
- if(WITH_MAEPARSER)
-- set (CMAKE_CXX_STANDARD 11)
--
-- set(MAEPARSER_VERSION 1.1)
-- if(NOT EXISTS "${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}")
-- file(DOWNLOAD "https://github.com/schrodinger/maeparser/archive/v${MAEPARSER_VERSION}.tar.gz"
-- "${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}.tar.gz" STATUS status)
-- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf
-- ${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}.tar.gz
-- WORKING_DIRECTORY ${openbabel_SOURCE_DIR}/external)
-- message(STATUS "Downloaded MaeParser to ${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}.")
-+
-+ find_package(maeparser MODULE QUIET)
-+
-+ if (maeparser_FOUND)
-+
-+ message(STATUS "Maestro formats will be supported. Using MaeParser libraries at ${maeparser_LIBRARIES}.")
-+
-+ else()
-+
-+ set(MAEPARSER_VERSION "master")
-+
-+ set(MAEPARSER_DIR "${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}")
-+
-+ # Do not build the test, as it will be put into the bin dir, where it won't be found by the test runner.
-+ set(MAEPARSER_BUILD_TESTS OFF CACHE BOOL "Disable Maeparser tests")
-+
-+ if(EXISTS "${MAEPARSER_DIR}/maeparser/CMakeLists.txt")
-+
-+ message(STATUS "Building existing MaeParser '${MAEPARSER_VERSION}' source at ${MAEPARSER_DIR}.")
-+
-+ else()
-+
-+ file(DOWNLOAD "https://github.com/schrodinger/maeparser/archive/${MAEPARSER_VERSION}.tar.gz"
-+ "${MAEPARSER_DIR}/maeparser-${MAEPARSER_VERSION}.tar.gz")
-+
-+ execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf "maeparser-${MAEPARSER_VERSION}.tar.gz"
-+ WORKING_DIRECTORY "${MAEPARSER_DIR}")
-+
-+ file(RENAME "${MAEPARSER_DIR}/maeparser-${MAEPARSER_VERSION}" "${MAEPARSER_DIR}/maeparser")
-+
-+ if(EXISTS "${MAEPARSER_DIR}/maeparser/CMakeLists.txt")
-+ message(STATUS "Downloaded MaeParser '${MAEPARSER_VERSION}' to ${MAEPARSER_DIR}.")
-+ else()
-+ message(FATAL_ERROR "Failed getting or unpacking Maeparser '${MAEPARSER_VERSION}'.")
-+ endif()
-+
-+ endif()
-+
-+ add_subdirectory("${MAEPARSER_DIR}/maeparser")
-+
-+ set(maeparser_INCLUDE_DIRS "${MAEPARSER_DIR}")
-+ set(maeparser_LIBRARIES maeparser)
-+
-+ message(STATUS "Maestro formats will be supported. Using MaeParser '${MAEPARSER_VERSION}' at ${MAEPARSER_DIR}")
-+
- endif()
-- set(MAEPARSER_DIR ${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION})
-- add_subdirectory(${MAEPARSER_DIR})
-- include_directories(${MAEPARSER_DIR})
-- set(libs ${libs} maeparser)
-
-- message(STATUS "Maestro formats will be supported. Using MaeParser ${MAEPARSER_VERSION} at ${MAEPARSER_INCLUDE_DIRS}")
-+ include_directories(${maeparser_INCLUDE_DIRS})
-+ set(libs ${libs} ${maeparser_LIBRARIES})
-+
- else()
- message(STATUS "Maestro formats will NOT be supported. Please install Boost to enable Maestro formats.")
- endif()
-
- option(WITH_JSON "Build JSON support" ON)
- option(OPENBABEL_USE_SYSTEM_RAPIDJSON "Use the system rapidjson if available." ON)
- if(WITH_JSON)
-
-From 3809081838b673a9ab45f3e6061dc1a525eba4f3 Mon Sep 17 00:00:00 2001
-From: Ricardo R-S <rodriguez at schrodinger.com>
-Date: Wed, 16 Oct 2019 15:58:13 -0400
-Subject: [PATCH 3/7] update maeparser include paths to use the same as coorden
-
----
- src/formats/maeformat.cpp | 6 +++---
- 1 file changed, 3 insertions(+), 3 deletions(-)
-
-diff --git a/src/formats/maeformat.cpp b/src/formats/maeformat.cpp
-index 795f8d746..9efb2560f 100644
---- a/src/formats/maeformat.cpp
-+++ b/src/formats/maeformat.cpp
-@@ -29,9 +29,9 @@ GNU General Public License for more details.
- #include <iostream>
- #include <map>
-
--#include <MaeConstants.hpp>
--#include <Reader.hpp>
--#include <Writer.hpp>
-+#include <maeparser/MaeConstants.hpp>
-+#include <maeparser/Reader.hpp>
-+#include <maeparser/Writer.hpp>
-
- using namespace std;
- using namespace schrodinger::mae;
-
-From 9e093701df695a9d0983298eac3e255e255aba56 Mon Sep 17 00:00:00 2001
-From: Ricardo R-S <rodriguez at schrodinger.com>
-Date: Mon, 21 Oct 2019 08:29:20 -0400
-Subject: [PATCH 5/7] only use boost threads if not static build
-
----
- src/CMakeLists.txt | 6 +++---
- 1 file changed, 3 insertions(+), 3 deletions(-)
-
-diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
-index 7c83ca355..de81c33f2 100644
---- a/src/CMakeLists.txt
-+++ b/src/CMakeLists.txt
-@@ -3,7 +3,7 @@ set(SOVERSION 6)
- set(LIBRARY_VERSION 6.0.0)
-
-
--find_package(Boost 1.45.0 COMPONENTS system)
-+find_package(Boost 1.45.0 COMPONENTS system)
-
-
-
-@@ -248,8 +248,8 @@ add_library(openbabel ${BUILD_TYPE}
- )
-
- target_link_libraries(openbabel ${libs})
--if(Boost_FOUND)
-- include_directories(${Boost_INCLUDE_DIRS})
-+if(Boost_FOUND AND (BUILD_SHARED OR BUILD_MIXED))
-+ include_directories(${Boost_INCLUDE_DIRS})
- target_link_libraries(openbabel ${Boost_LIBRARIES} )
- find_package(Threads REQUIRED)
- if(THREADS_HAVE_PTHREAD_ARG)
-
-From 9d79d1358cfce4cf977629ffb638fbf659fc6573 Mon Sep 17 00:00:00 2001
-From: Ricardo R-S <rodriguez at schrodinger.com>
-Date: Mon, 11 Nov 2019 10:17:41 -0500
-Subject: [PATCH 6/7] set fixed versions; handle github dirs
-
----
- CMakeLists.txt | 17 +++++++++++------
- 1 file changed, 11 insertions(+), 6 deletions(-)
-
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 26edc9433..60a59576a 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -498,7 +498,7 @@ if(WITH_MAEPARSER)
-
- else()
-
-- set(MAEPARSER_VERSION "master")
-+ set(MAEPARSER_VERSION "v1.2.2" CACHE STRING "Maeparser fallback version to download")
-
- set(MAEPARSER_DIR "${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}")
-
-@@ -517,9 +517,13 @@ if(WITH_MAEPARSER)
- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf "maeparser-${MAEPARSER_VERSION}.tar.gz"
- WORKING_DIRECTORY "${MAEPARSER_DIR}")
-
-- file(RENAME "${MAEPARSER_DIR}/maeparser-${MAEPARSER_VERSION}" "${MAEPARSER_DIR}/maeparser")
-+ message(STATUS "${MAEPARSER_DIR}")
-
-- if(EXISTS "${MAEPARSER_DIR}/maeparser/CMakeLists.txt")
-+ find_path(MAEPARSER_UNPACK_DIR "CMakeLists.txt" PATH "${MAEPARSER_DIR}/*" NO_DEFAULT_PATH)
-+ message(STATUS ${MAEPARSER_UNPACK_DIR})
-+
-+ if(MAEPARSER_UNPACK_DIR)
-+ file(RENAME "${MAEPARSER_UNPACK_DIR}" "${MAEPARSER_DIR}/maeparser")
- message(STATUS "Downloaded MaeParser '${MAEPARSER_VERSION}' to ${MAEPARSER_DIR}.")
- else()
- message(FATAL_ERROR "Failed getting or unpacking Maeparser '${MAEPARSER_VERSION}'.")
-
-From a97306e9a32ee210701ae20d3073dd1d384dd68d Mon Sep 17 00:00:00 2001
-From: Ricardo R-S <rodriguez at schrodinger.com>
-Date: Tue, 12 Nov 2019 14:30:58 -0500
-Subject: [PATCH 7/7] restore master as fallback; remove leftover debug msgs
-
----
- CMakeLists.txt | 7 ++-----
- 1 file changed, 2 insertions(+), 5 deletions(-)
-
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 60a59576a..7d74d5ad4 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -498,7 +498,7 @@ if(WITH_MAEPARSER)
-
- else()
-
-- set(MAEPARSER_VERSION "v1.2.2" CACHE STRING "Maeparser fallback version to download")
-+ set(MAEPARSER_VERSION "master" CACHE STRING "Maeparser fallback version to download")
-
- set(MAEPARSER_DIR "${openbabel_SOURCE_DIR}/external/maeparser-${MAEPARSER_VERSION}")
-
-@@ -517,10 +517,7 @@ if(WITH_MAEPARSER)
- execute_process(COMMAND ${CMAKE_COMMAND} -E tar zxf "maeparser-${MAEPARSER_VERSION}.tar.gz"
- WORKING_DIRECTORY "${MAEPARSER_DIR}")
-
-- message(STATUS "${MAEPARSER_DIR}")
--
- find_path(MAEPARSER_UNPACK_DIR "CMakeLists.txt" PATH "${MAEPARSER_DIR}/*" NO_DEFAULT_PATH)
-- message(STATUS ${MAEPARSER_UNPACK_DIR})
-
- if(MAEPARSER_UNPACK_DIR)
- file(RENAME "${MAEPARSER_UNPACK_DIR}" "${MAEPARSER_DIR}/maeparser")
More information about the arch-commits
mailing list