| 1 |
commit: 2841e25198ebdfa8a42a57d5de0f5289f9858a6f |
| 2 |
Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org> |
| 3 |
AuthorDate: Sun Dec 30 23:29:53 2012 +0000 |
| 4 |
Commit: Christoph Junghans <kleiner_otti <AT> gmx <DOT> de> |
| 5 |
CommitDate: Sun Dec 30 23:29:53 2012 +0000 |
| 6 |
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=2841e251 |
| 7 |
|
| 8 |
further clean up |
| 9 |
|
| 10 |
Package-Manager: portage-2.2.0_alpha149 |
| 11 |
|
| 12 |
--- |
| 13 |
sci-chemistry/gromacs/ChangeLog | 3 +++ |
| 14 |
sci-chemistry/gromacs/gromacs-4.6.9999.ebuild | 6 +++++- |
| 15 |
2 files changed, 8 insertions(+), 1 deletions(-) |
| 16 |
|
| 17 |
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog |
| 18 |
index 2c7bfe2..b932769 100644 |
| 19 |
--- a/sci-chemistry/gromacs/ChangeLog |
| 20 |
+++ b/sci-chemistry/gromacs/ChangeLog |
| 21 |
@@ -2,6 +2,9 @@ |
| 22 |
# Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 |
| 23 |
# $Header: $ |
| 24 |
|
| 25 |
+ 30 Dec 2012; Christoph Junghans <ottxor@g.o> gromacs-4.6.9999.ebuild: |
| 26 |
+ further clean up |
| 27 |
+ |
| 28 |
29 Dec 2012; Christoph Junghans <ottxor@g.o> gromacs-4.6.9999.ebuild: |
| 29 |
fixed build with newer mkl |
| 30 |
|
| 31 |
|
| 32 |
diff --git a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild |
| 33 |
index 94dbbdd..0b76b2f 100644 |
| 34 |
--- a/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild |
| 35 |
+++ b/sci-chemistry/gromacs/gromacs-4.6.9999.ebuild |
| 36 |
@@ -32,7 +32,10 @@ ACCE_IUSE="sse2 sse41 avx128fma avx256" |
| 37 |
DESCRIPTION="The ultimate molecular dynamics simulation package" |
| 38 |
HOMEPAGE="http://www.gromacs.org/" |
| 39 |
|
| 40 |
-LICENSE="GPL-2" |
| 41 |
+# see COPYING for details |
| 42 |
+# http://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING |
| 43 |
+# base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib |
| 44 |
+LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" |
| 45 |
SLOT="0" |
| 46 |
KEYWORDS="~alpha ~amd64 ~ppc64 ~sparc ~x86 ~amd64-linux ~x86-linux ~x86-macos" |
| 47 |
IUSE="X blas cuda doc -double-precision +fftw gsl lapack mkl mpi +offensive openmm openmp +single-precision test +threads zsh-completion ${ACCE_IUSE}" |
| 48 |
@@ -132,6 +135,7 @@ src_configure() { |
| 49 |
-DGMX_ACCELERATION="$acce" |
| 50 |
-DGMXLIB="$(get_libdir)" |
| 51 |
-DGMX_VMD_PLUGIN_PATH="${EPREFIX}/usr/$(get_libdir)/vmd/plugins/*/molfile/" |
| 52 |
+ -DGMX_PREFIX_LIBMD=ON |
| 53 |
${extra} |
| 54 |
) |
Archives