1 |
commit: f40a6bfc5ac24bafe6e3e8bada5a1e438da44506 |
2 |
Author: Nicolas Bock <nicolasbock <AT> gmail <DOT> com> |
3 |
AuthorDate: Tue May 28 19:52:35 2013 +0000 |
4 |
Commit: Nicolas Bock <nicolasbock <AT> gmail <DOT> com> |
5 |
CommitDate: Tue May 28 19:52:35 2013 +0000 |
6 |
URL: http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=f40a6bfc |
7 |
|
8 |
Version bump. |
9 |
|
10 |
Package-Manager: portage-2.2.0_alpha177 |
11 |
|
12 |
--- |
13 |
sci-physics/lammps/ChangeLog | 5 +++ |
14 |
sci-physics/lammps/lammps-20130526.ebuild | 75 +++++++++++++++++++++++++++++++ |
15 |
2 files changed, 80 insertions(+) |
16 |
|
17 |
diff --git a/sci-physics/lammps/ChangeLog b/sci-physics/lammps/ChangeLog |
18 |
index b29dfd1..decccfa 100644 |
19 |
--- a/sci-physics/lammps/ChangeLog |
20 |
+++ b/sci-physics/lammps/ChangeLog |
21 |
@@ -2,6 +2,11 @@ |
22 |
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2 |
23 |
# $Header: $ |
24 |
|
25 |
+*lammps-20130526 (28 May 2013) |
26 |
+ |
27 |
+ 28 May 2013; Nicolas Bock <nicolasbock@×××××.com> +lammps-20130526.ebuild: |
28 |
+ Version bump. |
29 |
+ |
30 |
28 May 2013; Nicolas Bock <nicolasbock@×××××.com> lammps-20130514.ebuild: |
31 |
Added html documentation. |
32 |
|
33 |
|
34 |
diff --git a/sci-physics/lammps/lammps-20130526.ebuild b/sci-physics/lammps/lammps-20130526.ebuild |
35 |
new file mode 100644 |
36 |
index 0000000..198fd2f |
37 |
--- /dev/null |
38 |
+++ b/sci-physics/lammps/lammps-20130526.ebuild |
39 |
@@ -0,0 +1,75 @@ |
40 |
+# Copyright 1999-2013 Gentoo Foundation |
41 |
+# Distributed under the terms of the GNU General Public License v2 |
42 |
+# $Header: $ |
43 |
+ |
44 |
+EAPI=5 |
45 |
+ |
46 |
+FORTRAN_NEEDED="package-meam" |
47 |
+ |
48 |
+inherit eutils fortran-2 |
49 |
+ |
50 |
+LAMMPSDATE="26May13" |
51 |
+ |
52 |
+DESCRIPTION="Large-scale Atomic/Molecular Massively Parallel Simulator" |
53 |
+HOMEPAGE="http://lammps.sandia.gov/" |
54 |
+SRC_URI="http://lammps.sandia.gov/tars/lammps-${LAMMPSDATE}.tar.gz" |
55 |
+ |
56 |
+LICENSE="GPL-2" |
57 |
+SLOT="0" |
58 |
+KEYWORDS="~amd64 ~x86" |
59 |
+IUSE="doc examples gzip lammps-memalign mpi package-dipole package-meam package-rigid" |
60 |
+ |
61 |
+DEPEND="mpi? ( virtual/mpi )" |
62 |
+RDEPEND="${DEPEND}" |
63 |
+ |
64 |
+S="${WORKDIR}/${PN}-${LAMMPSDATE}" |
65 |
+ |
66 |
+lmp_emake() { |
67 |
+ local LAMMPS_INCLUDEFLAGS= |
68 |
+ use gzip && LAMMPS_INCLUDEFLAGS+=" -DLAMMPS_GZIP" |
69 |
+ use lammps-memalign && LAMMPS_INCLUDEFLAGS+=" -DLAMMPS_MEMALIGN" |
70 |
+ |
71 |
+ # Note: The lammps makefile uses CC to indicate the C++ compiler. |
72 |
+ emake \ |
73 |
+ ARCHIVE=$(tc-getAR) \ |
74 |
+ CC=$(use mpi && echo mpic++ || echo $(tc-getCXX)) \ |
75 |
+ F90=$(use mpi && echo mpif90 || echo $(tc-getFC)) \ |
76 |
+ LINK=$(use mpi && echo mpic++ || echo $(tc-getCXX)) \ |
77 |
+ CCFLAGS="${CXXFLAGS}" \ |
78 |
+ F90FLAGS="${FCFLAGS}" \ |
79 |
+ LINKFLAGS="${LDFLAGS}" \ |
80 |
+ LMP_INC="${LAMMPS_INCLUDEFLAGS}" \ |
81 |
+ MPI_INC=$(use mpi || echo -I../STUBS) \ |
82 |
+ MPI_PATH=$(use mpi || echo -L../STUBS) \ |
83 |
+ MPI_LIB=$(use mpi || echo -lmpi_stubs) \ |
84 |
+ "$@" |
85 |
+} |
86 |
+ |
87 |
+src_compile() { |
88 |
+ # Compile stubs for serial version. |
89 |
+ use mpi || lmp_emake -C src stubs |
90 |
+ |
91 |
+ # Build optional packages. |
92 |
+ if use package-meam; then |
93 |
+ lmp_emake -C src yes-meam |
94 |
+ lmp_emake -j1 -C lib/meam -f Makefile.gfortran |
95 |
+ fi |
96 |
+ use package-dipole && emake -C src yes-dipole |
97 |
+ use package-rigid && emake -C src yes-rigid |
98 |
+ |
99 |
+ # Compile. |
100 |
+ lmp_emake -C src serial |
101 |
+} |
102 |
+ |
103 |
+src_install() { |
104 |
+ newbin "src/lmp_serial" "lmp" |
105 |
+ if use examples; then |
106 |
+ insinto "/usr/share/doc/${PF}" |
107 |
+ doins -r examples |
108 |
+ fi |
109 |
+ dodoc README |
110 |
+ if use doc; then |
111 |
+ dodoc doc/Manual.pdf |
112 |
+ dohtml -r doc |
113 |
+ fi |
114 |
+} |