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bumped to 2.6.0-beta.1

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evaleev committed May 7, 2019
1 parent 85072a4 commit a1db31dd86fdce6e8828b8ed3d2527888c74672f
Showing with 17 additions and 8 deletions.
  1. +3 −1 CHANGES
  2. +2 −2 CITATION
  3. +9 −2 configure.ac
  4. +2 −2 export/configure.export
  5. +1 −1 libint2.pc.in
@@ -3,8 +3,10 @@

Following is a brief summary of changes made in each release of Libint.

- xxxx-yy-zz: 2.6.0-beta.1
- 2019-05-07: 2.6.0-beta.1
- can read PBC-extended XYZ files
- provided (pkg-config based) FindLibint2.cmake module for CMake projects
- removed Engine::set_{oper,braket} deprecated in 2.5.0, use Engine::set instead

- 2019-04-09: 2.5.0
- New Fortran bindings to Libint by Patrick Seewald (https://github.com/pseewald); requires Fortran 2003 or later.
@@ -18,8 +18,8 @@ The literature citation for the present version in bibtex format is:
author = "E.~F.~Valeev",
title = "Libint: A library for the evaluation of molecular integrals of many-body operators over Gaussian functions",
howpublished = "http://libint.valeyev.net/",
note = "version 2.5.0-beta.1",
year = 2018
note = "version 2.6.0-beta.1",
year = 2019
}

Also, please include the scientific citations for the methods and basis
@@ -1,5 +1,5 @@
define([libint_mmm_version],[2.5.0])
define([libint_buildid],[])
define([libint_mmm_version],[2.6.0])
define([libint_buildid],[beta.1])
define([libint_so_version],[2:3:0])

dnl --------- Begin ---------
@@ -1071,6 +1071,13 @@ PKGCONFIGDIR=$withval
)
AC_SUBST(PKGCONFIGDIR)

CMAKEDIR='$(libdir)/cmake/libint2'
AC_ARG_WITH(cmakedir,
AS_HELP_STRING([--with-cmakedir],[Specifies the location to put FindLibint2.cmake file. Default is $(libdir)/cmake/libint2.]),
CMAKEDIR=$withval
)
AC_SUBST(CMAKEDIR)

dnl --------- Want absolute path for srcdir, not relative. ---------

if test X$ac_srcdir_defaulted = Xyes; then
@@ -1,5 +1,5 @@
define([libint_mmm_version],[2.5.0])
define([libint_buildid],[])
define([libint_mmm_version],[2.6.0])
define([libint_buildid],[beta.1])
define([libint_so_version],[2:3:0])

dnl --------- Begin ---------
@@ -3,7 +3,7 @@ exec_prefix=@exec_prefix@
libdir=@libdir@
includedir=@includedir@

Name: libint2
Name: @PACKAGE_NAME@
Description: a library for the evaluation of molecular integrals of many-body operators over Gaussian functions
Version: @PACKAGE_VERSION@
Libs: -L${libdir} -lint2

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