[ Michael Banck ] * debian/patches/02_makefile_flags.patch: Updated. * debian/patches/02_makefile_flags.patch: Use internal blas and lapack code. * debian/patches/02_makefile_flags.patch: Define GCC4 for LINUX and LINUX64 (Closes: #632611 and LP: #791308). * debian/control (Build-Depends): Added openssh-client. * debian/rules (USE_SCALAPACK, SCALAPACK): Removed variables (Closes: #654658). * debian/rules (LIBDIR, USE_MPIF4, ARMCI_NETWORK): New variables. * debian/TODO: New file. * debian/control (Build-Depends): Removed libblas-dev, liblapack-dev and libscalapack-mpi-dev. * debian/patches/04_show_testsuite_diff_output.patch: New patch, shows the diff output for failed tests. * debian/patches/series: Adjusted. * debian/testsuite: Optionally run all tests if "all" is passed as option. * debian/rules: Run debian/testsuite with "all" if DEB_BUILD_OPTIONS contains "checkall".
[ Daniel Leidert ] * debian/control: Used wrap-and-sort. Added Vcs-Svn and Vcs-Browser fields. (Priority): Moved to extra according to policy section 2.5. (Standards-Version): Bumped to 3.9.2. (Description): Fixed a typo. * debian/watch: Added. * debian/patches/03_hurd-i386_define_path_max.patch: Added. - Define MAX_PATH if not defines to fix FTBFS on hurd. * debian/patches/series: Adjusted.
# cc-pV5Z-PP-RI EMSL Basis Set Exchange Library 3/19/10 12:41 PM
1
# cc-pV5Z-PP-RI EMSL Basis Set Exchange Library 4/15/11 10:03 AM
2
2
# Elements References
3
3
# -------- ----------
4
4
# Ga Ge As Se Br Kr In Sn Sb Te I Xe Tl Pb Bi Po At Rn: Christof Hattig, auxiliary basis sets for RI-MP2 calculations, TURBOMOLE basis set library 6.0, 1 (2009).