diff options
| author | Bor Kraljič | 2009-10-31 09:27:50 +0100 |
|---|---|---|
| committer | Bor Kraljič | 2009-10-31 09:27:50 +0100 |
| commit | b7a3c838c4e87043d5aaed466eba2a4113041ab1 (patch) | |
| tree | 8116641c7b80902a44ea121e3cda518df388e2c0 | |
| parent | 6ddfae41863593c6df7c05746b88c1e3db0f8086 (diff) | |
openbabel: => 2.2.3
| -rwxr-xr-x | libs/openbabel/DETAILS | 20 | ||||
| -rw-r--r-- | libs/openbabel/HISTORY | 4 |
2 files changed, 16 insertions, 8 deletions
diff --git a/libs/openbabel/DETAILS b/libs/openbabel/DETAILS index f9387209b5..12d73673fd 100755 --- a/libs/openbabel/DETAILS +++ b/libs/openbabel/DETAILS @@ -1,12 +1,12 @@ SPELL=openbabel if [[ $DEV_VER = y ]];then - VERSION=2.2.2 - VERSIONX=2.2.2 - SOURCE_HASH=sha512:6ca08c8adea70f50642368d30c342f824f4a55180a09f29de3ec9b119a06be4b7f212358ddaad42f14671257dd499db2df79761b8500abda4357e8ecd6e22d95 + VERSION=2.2.3 + VERSIONX=2.2.3 + SOURCE_HASH=sha512:ca3a364bacba3c5797d8085afb75d0e9ea21f26a8283f50246141b86e0851326939c80d71e0d8d3b21f38bc892034245aa22f8f80c917212f4dc746961d9eb2f SOURCE=$SPELL-$VERSIONX.tar.gz else - VERSION=2.2.2 - SOURCE_HASH=sha512:6ca08c8adea70f50642368d30c342f824f4a55180a09f29de3ec9b119a06be4b7f212358ddaad42f14671257dd499db2df79761b8500abda4357e8ecd6e22d95 + VERSION=2.2.3 + SOURCE_HASH=sha512:ca3a364bacba3c5797d8085afb75d0e9ea21f26a8283f50246141b86e0851326939c80d71e0d8d3b21f38bc892034245aa22f8f80c917212f4dc746961d9eb2f SOURCE=$SPELL-$VERSION.tar.gz fi SOURCE_URL[0]=${SOURCEFORGE_URL}/${SPELL}/${SOURCE} @@ -18,16 +18,20 @@ SOURCE_DIRECTORY=$BUILD_DIRECTORY/$SPELL-$VERSION KEYWORDS="science libs" SHORT="Cross-platform library for converting some scientific formats" cat << EOF -Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. +Open Babel is a project designed to pick up where Babel left off, as a +cross-platform program and library designed to interconvert between many +file formats used in molecular modeling and computational chemistry. Features currently include: - * A huge variety of common chemical file formats, including SDF/MOL, Mol2, PDB, SMILES, XYZ, CML... (details) + * A huge variety of common chemical file formats, including SDF/MOL, + Mol2, PDB, SMILES, XYZ, CML... (details) * Recognition of file type based on filename extension * Chemical MIME support * SMARTS matcher * Flexible atom typer - * Flexible bond typer for perception of multiple bonds from atomic coordinates + * Flexible bond typer for perception of multiple bonds from atomic + coordinates * Gasteiger partial charge calculation * Hydrogen addition and deletion * Isotope support, calculation of average and exact masses diff --git a/libs/openbabel/HISTORY b/libs/openbabel/HISTORY index fff07904a0..935d1a4624 100644 --- a/libs/openbabel/HISTORY +++ b/libs/openbabel/HISTORY @@ -1,3 +1,7 @@ +2009-10-29 Bor Kraljič <pyrobor@ver.si> + * DETAILS: updated spell to 2.2.3 (stable & devel) + fixed long description wrap + 2008-07-12 Treeve Jelbert <treeve@sourcemage.org> * DETAILS: version 2.2.2 (stable and devel) |