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Viewing changes to src/tools/ga-5-1/armci/src/ft/armci_storage.h

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Daniel Leidert, Andreas Tille, Michael Banck
  • Date: 2013-07-04 12:14:55 UTC
  • mfrom: (1.1.2)
  • Revision ID: package-import@ubuntu.com-20130704121455-5tvsx2qabor3nrui
Tags: 6.3-1
http://bugs.debian.org/696361
* New upstream release.
* Fixes anisotropic properties (Closes: #696361).
* New features include:
  + Multi-reference coupled cluster (MRCC) approaches
  + Hybrid DFT calculations with short-range HF 
  + New density-functionals including Minnesota (M08, M11) and HSE hybrid
    functionals
  + X-ray absorption spectroscopy (XAS) with TDDFT
  + Analytical gradients for the COSMO solvation model
  + Transition densities from TDDFT 
  + DFT+U and Electron-Transfer (ET) methods for plane wave calculations
  + Exploitation of space group symmetry in plane wave geometry optimizations
  + Local density of states (LDOS) collective variable added to Metadynamics
  + Various new XC functionals added for plane wave calculations, including
    hybrid and range-corrected ones
  + Electric field gradients with relativistic corrections 
  + Nudged Elastic Band optimization method
  + Updated basis sets and ECPs 

[ Daniel Leidert ]
* debian/watch: Fixed.

[ Andreas Tille ]
* debian/upstream: References

[ Michael Banck ]
* debian/upstream (Name): New field.
* debian/patches/02_makefile_flags.patch: Refreshed.
* debian/patches/06_statfs_kfreebsd.patch: Likewise.
* debian/patches/07_ga_target_force_linux.patch: Likewise.
* debian/patches/05_avoid_inline_assembler.patch: Removed, no longer needed.
* debian/patches/09_backported_6.1.1_fixes.patch: Likewise.
* debian/control (Build-Depends): Added gfortran-4.7 and gcc-4.7.
* debian/patches/10_force_gcc-4.7.patch: New patch, explicitly sets
  gfortran-4.7 and gcc-4.7, fixes test suite hang with gcc-4.8 (Closes:
  #701328, #713262).
* debian/testsuite: Added tests for COSMO analytical gradients and MRCC.
* debian/rules (MRCC_METHODS): New variable, required to enable MRCC methods.

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Lines of Context:
src/tools/ga-5-1/armci/src/ft/armci_storage.h
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#if HAVE_STDIO_H
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#   include <stdio.h>
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#endif
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#if HAVE_SETJMP_H
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#   include <setjmp.h>
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#endif
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#if HAVE_SYS_TYPES_H
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#   include <sys/types.h>
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#endif
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#if HAVE_SYS_SYSCALL_H
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#   include <sys/syscall.h>
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#endif
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#if HAVE_SYS_MMAN_H
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#   include <sys/mman.h>
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#endif
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#if HAVE_SYS_PARAM_H
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#   include <sys/param.h>
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#endif
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#if HAVE_SYS_WAIT_H
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#   include <sys/wait.h>
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#endif
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#if HAVE_SIGNAL_H
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#   include <signal.h>
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#endif
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#if HAVE_STDLIB_H
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#   include <stdlib.h>
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#endif
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#if HAVE_STRING_H
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#   include <string.h>
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#endif
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#if HAVE_MATH_H
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#   include <math.h>
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#endif
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#if HAVE_ASSERT_H
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#   include <assert.h>
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#endif
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#if HAVE_UNISTD_H
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#   include <unistd.h>
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#endif
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#if HAVE_FCNTL_H
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#   include <fcntl.h>
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#endif
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#if HAVE_ERRNO_H
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#   include <errno.h>
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#endif
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#if HAVE_DIRENT_H
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#   include <dirent.h>
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#endif
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#if HAVE_STDARG_H
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#   include <stdarg.h>
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#endif
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#define FILE_DS FILE *
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FILE_DS armci_storage_fopen(char *filename);
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FILE_DS armci_storage_fopen_RONLY(char *filename);
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void armci_storage_fclose(FILE_DS filed);
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int armci_storage_read_ptr(FILE_DS file_d,void *ptr,size_t size,off_t ofs);
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int armci_storage_read_pages(FILE_DS file_d, unsigned long first_page,
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                unsigned long *page_arr, unsigned long page_arr_sz,int pagesize,
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                off_t ofs);
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int armci_storage_write_ptr(FILE_DS file_d,void *ptr,size_t size,off_t ofs);
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int armci_storage_write_pages(FILE_DS file_d, unsigned long first_page,
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                unsigned long *page_arr, unsigned long page_arr_sz,int pagesize,
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                off_t ofs);