From 0f78f03219e56afa2fc7ef6bc4b17de6f7d8e318 Mon Sep 17 00:00:00 2001 From: Greg Landrum Date: Wed, 30 Jun 2010 04:08:57 +0000 Subject: [PATCH] close to release --- Code/RDGeneral/versions.h | 2 +- INSTALL | 2 +- ReleaseNotes.txt | 14 ++++++++++++++ 3 files changed, 16 insertions(+), 2 deletions(-) diff --git a/Code/RDGeneral/versions.h b/Code/RDGeneral/versions.h index 8cb1d412f..4c8157831 100644 --- a/Code/RDGeneral/versions.h +++ b/Code/RDGeneral/versions.h @@ -6,6 +6,6 @@ // #include namespace RDKit { - const char *rdkitVersion="2010Q2_1pre"; + const char *rdkitVersion="2010Q2_1"; const char *boostVersion=BOOST_LIB_VERSION; } diff --git a/INSTALL b/INSTALL index 23f6b612e..e152c3fd1 100644 --- a/INSTALL +++ b/INSTALL @@ -8,7 +8,7 @@ The instructions below are for source distributions from Q4 2009 on. == Getting Ready == * Required packages: * cmake. You need version 2.6 (or more recent). http://www.cmake.org if your linux distribution doesn't have an appropriate package. _Update: It seems that v2.8 is a better bet than v2.6. It might be worth compiling your own copy of v2.8 even if v2.6 is already installed._ - * flex and bison. These are frequently already installed if you have the various pieces of the development environment installed + * flex and bison. These are frequently already installed if you have the various pieces of the development environment installed. Note that some Redhat-based systems have an extremely ancient version of flex (v2.5.4, from 1997) installed; in order to build the RDKit on these systems you need to compile and install a more recent version. The source is available at http://flex.sourceforge.net. * The following are required if you are planning on using the Python wrappers: * The python headers. This probably means that you need to install the python-dev package (or whatever it's called) for your linux distribution. * sqlite3. You also need the shared libraries. This may require that you install a sqlite3-dev package. diff --git a/ReleaseNotes.txt b/ReleaseNotes.txt index 2d610fbc5..c64358422 100755 --- a/ReleaseNotes.txt +++ b/ReleaseNotes.txt @@ -4,6 +4,10 @@ !!!!!! IMPORTANT !!!!!! - There are a couple of refactoring changes that affect people using the RDKit from C++. Please look in the Other section below for a list. + - If you are building the RDKit yourself, changes made in this + release require that you use a reasonably up-to-date version of + flex to build it. Please look in the Other section below for more + information. Acknowledgements: - Andrew Dalke, James Davidson, Kirk DeLisle, Thomas Heller, Peter Gedeck, @@ -43,6 +47,8 @@ New Features: MolChemicalFeatureFactory - repeated recursive SMARTS queries in a single SMARTS will now be recognized and matched much faster. + - the SMILES and SMARTS parsers can now be run safely in + multi-threaded code. Deprecated modules (to be removed in next release): - rdkit/qtGui @@ -55,6 +61,14 @@ Removed modules: Other: - The large scale changes in the handling of stereochemistry were made for this release. These should make the code more robust. + - If you are building the RDKit yourself, changes made in this + release require that you use a reasonably up-to-date version of + flex to build it. This is likely to be a problem on Redhat, and + redhat-derived systems. Specifically: if your version of flex is + something like 2.5.4 (as opposed to something like 2.5.33, 2.5.34, + etc.), you will need to get a newer version from + http://flex.sourceforge.net in order to build the RDKit. + - Changes only affecting C++ programmers: - The code for calculating topological-torsion and atom-pair fingerprints has been moved from $RDBASE/Code/GraphMol/Descriptors