updating configure process
fixing a configure script error
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.
Define USE_QHULL.
New configure
Added CGAL test
Added volume calculation for hull.
Fixed more bugs and removed more CGAL.
Removed CGAL from OOPSE and replaced it with qhull.
fixed a configuration error
Changes to nanorod builder for new dump format. Changes to configure to test for new version of cgal.
oops with the affineScale
changing configure script to process the new utilities
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.
added perl interpreter to affineScale script
Fixed a bug in the fftw part of the configure script.
removed icc from C++ search lines, did some formatting work on GB module, mucked around with a GB example
added mpi compilers, demoted pg compilers after pathscale
What?
more changes for MPICH with profiling libraries required
MPI stuff
fixes for Hydrodynamics
Adding single precision capabilities to the fortran side
adding --enable-single to configure script
zlib fixes
Autoconf fixes for FFTW. Multiple FFTW version support.
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Adding spherical boundary conditions to LD integrator
Many performance improvements
added a cubic spline to switcheroo
Added status module to simParallel for error reporting.
Testing commit
changed compiler search order
fixed some version info and the copyright date
added some missing checks for header files (particularly zlib.h)
autoconf modernization and cruft removal
changed __FUNCTION__ to __func__ to match C99 standard, and then added an autoconf test to check for __func__ usability. Changed some default compile flags for the Sun architecture
Adding checks for various features used by ANTLR
added some checks for pathscale compiler
added pathscale
added check for egrep (grep -E) needed for new build of libOOPSE.a
added checks for some functions to configure script
Adding some config checks for OpenBabel codes we are using
added check for zlib in configure
fixed ACX_MPI to ignore some text error messages from pathscale compiler
Jedi mind-trick warning messages have been added to make users ignore CGAL.
configure now searches for perl to use with filepp
added CGAL checks
SPRNG eradication project
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bugfixing residentMem
bugfixes for residentMem on LINUX
modifications to estimate memory in use by other processes autoconf fixes ps syntax checking config.h file cleaning
ps niceness
ps strangeness
adding support for physmem
more fixes for gnugetopt
fixing for gnugetopt
Fortran/C++ interface de-obfuscation project appears to be complete! Woo hoo!
Changed optimization flags for XLF and XLC.
more build fixes
cleaning up build process
updates
starting a configure version
Import of OOPSE v. 2.0
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