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Gentoo's Bugzilla – Attachment 239801 Details for
Bug 249493
sci-physics/abinit-6.2.2 needs better ebuild
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[patch]
6.0.3-libxc-flags.patch
6.0.3-libxc-flags.patch (text/plain), 1.63 KB, created by
Honza Macháček
on 2010-07-22 14:21:45 UTC
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Description:
6.0.3-libxc-flags.patch
Filename:
MIME Type:
Creator:
Honza Macháček
Created:
2010-07-22 14:21:45 UTC
Size:
1.63 KB
patch
obsolete
>diff -Naur tmp-old/src/56_xc/m_libxc_functionals.F90 tmp-new/src/56_xc/m_libxc_functionals.F90 >--- src/56_xc/m_libxc_functionals.F90 2010-04-02 18:35:00.000000000 +0000 >+++ src/56_xc/m_libxc_functionals.F90 2010-04-07 15:06:14.000000000 +0000 >@@ -363,14 +363,14 @@ > if (funcs(i)%id == 0) cycle > > !Get the potential (and possibly the energy) >- if (iand(xc_f90_info_provides(funcs(i)%info), XC_PROVIDES_EXC) .ne. 0) then >+ if (iand(xc_f90_info_flags(funcs(i)%info), XC_FLAGS_HAVE_EXC) .ne. 0) then > select case (funcs(i)%family) > case (XC_FAMILY_LDA) > call xc_f90_lda_exc_vxc(funcs(i)%conf,1,rhotmp(1),exctmp,vxctmp(1)) > case (XC_FAMILY_GGA) > call xc_f90_gga_exc_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),exctmp,vxctmp(1),vsigma(1)) > case (XC_FAMILY_MGGA) >- call xc_f90_mgga_exc_vxc(funcs(i)%conf,rhotmp(1),sigma(1),lrhotmp(1),& >+ call xc_f90_mgga_exc_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),lrhotmp(1),& > tautmp(1),exctmp,vxctmp(1),vsigma(1),vxclrhotmp(1),vxctautmp(1)) > ! write(message, '(7a)' )ch10,& > ! & ' libxc_functionals_init : ERROR -',ch10,& >@@ -388,7 +388,7 @@ > case (XC_FAMILY_GGA) > call xc_f90_gga_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),vxctmp(1),vsigma(1)) > case (XC_FAMILY_MGGA) >- call xc_f90_mgga_vxc(funcs(i)%conf,rhotmp(1),sigma(1),lrhotmp(1),& >+ call xc_f90_mgga_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),lrhotmp(1),& > tautmp(1),vxctmp(1),vsigma(1),vxclrhotmp(1),vxctautmp(1)) > end select > end if
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