Revision 1239 - (view) (annotate) - [select for diffs]
Modified Fri Apr 25 15:08:33 2008 UTC (17 years ago) by gezelter
File length: 45844 byte(s)
Diff to previous 1226

fixed compile flags for mac

fixing configure process

Revision 1225 - (view) (annotate) - [select for diffs]
Modified Fri Feb 8 21:33:46 2008 UTC (17 years, 2 months ago) by gezelter
File length: 48988 byte(s)
Diff to previous 1223

updating configure process

fixing a configure script error

Revision 1210 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
File length: 51796 byte(s)
Diff to previous 1206

Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

Changes to optimization flags.

Revision 1201 - (view) (annotate) - [select for diffs]
Modified Fri Dec 7 00:48:28 2007 UTC (17 years, 5 months ago) by chuckv
File length: 48285 byte(s)
Diff to previous 1200

Define USE_QHULL.

New configure

Revision 1024 - (view) (annotate) - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 8 months ago) by tim
File length: 45686 byte(s)
Diff to previous 1003

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Fixed a bug in the fftw part of the configure script.

Revision 988 - (view) (annotate) - [select for diffs]
Modified Thu Jun 15 18:38:58 2006 UTC (18 years, 10 months ago) by gezelter
File length: 45826 byte(s)
Diff to previous 975

added mpi compilers, demoted pg compilers after pathscale

more changes

Revision 974 - (view) (annotate) - [select for diffs]
Modified Thu May 25 15:19:34 2006 UTC (18 years, 11 months ago) by gezelter
File length: 45903 byte(s)
Diff to previous 973

more changes for MPICH with profiling libraries required

MPI stuff

Revision 972 - (view) (annotate) - [select for diffs]
Modified Wed May 24 18:31:12 2006 UTC (18 years, 11 months ago) by gezelter
File length: 45785 byte(s)
Diff to previous 958

fixes for Hydrodynamics

zlib fixes

Revision 957 - (view) (annotate) - [select for diffs]
Added Tue May 16 20:38:23 2006 UTC (18 years, 11 months ago) by gezelter
File length: 45015 byte(s)

Autoconf fixes for FFTW.  Multiple FFTW version support.