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eic_tools
Spack
Commits
d7020434
Commit
d7020434
authored
9 years ago
by
Adam J. Stewart
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Use new-ish blas_shared_lib and more flake8 fixes
parent
e2e72b14
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var/spack/repos/builtin/packages/elk/package.py
+25
-19
25 additions, 19 deletions
var/spack/repos/builtin/packages/elk/package.py
with
25 additions
and
19 deletions
var/spack/repos/builtin/packages/elk/package.py
+
25
−
19
View file @
d7020434
...
...
@@ -22,8 +22,8 @@
# License along with this program; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from
spack
import
*
import
spack
from
spack
import
*
class
Elk
(
Package
):
...
...
@@ -36,14 +36,20 @@ class Elk(Package):
version
(
'
3.3.17
'
,
'
f57f6230d14f3b3b558e5c71f62f0592
'
)
# Elk provides these libraries, but allows you to specify your own
variant
(
'
blas
'
,
default
=
True
,
description
=
'
Build with custom BLAS library
'
)
variant
(
'
lapack
'
,
default
=
True
,
description
=
'
Build with custom LAPACK library
'
)
variant
(
'
fft
'
,
default
=
True
,
description
=
'
Build with custom FFT library
'
)
variant
(
'
blas
'
,
default
=
True
,
description
=
'
Build with custom BLAS library
'
)
variant
(
'
lapack
'
,
default
=
True
,
description
=
'
Build with custom LAPACK library
'
)
variant
(
'
fft
'
,
default
=
True
,
description
=
'
Build with custom FFT library
'
)
# Elk does not provide these libraries, but allows you to use them
variant
(
'
mpi
'
,
default
=
True
,
description
=
'
Enable MPI parallelism
'
)
variant
(
'
openmp
'
,
default
=
True
,
description
=
'
Enable OpenMP support
'
)
variant
(
'
libxc
'
,
default
=
True
,
description
=
'
Link to Libxc functional library
'
)
variant
(
'
mpi
'
,
default
=
True
,
description
=
'
Enable MPI parallelism
'
)
variant
(
'
openmp
'
,
default
=
True
,
description
=
'
Enable OpenMP support
'
)
variant
(
'
libxc
'
,
default
=
True
,
description
=
'
Link to Libxc functional library
'
)
depends_on
(
'
blas
'
,
when
=
'
+blas
'
)
depends_on
(
'
lapack
'
,
when
=
'
+lapack
'
)
...
...
@@ -54,17 +60,16 @@ class Elk(Package):
# Cannot be built in parallel
parallel
=
False
def
configure
(
self
,
spec
):
# Dictionary of configuration options
config
=
{
'
MAKE
'
:
'
make
'
,
'
AR
'
:
'
ar
'
'
MAKE
'
:
'
make
'
,
'
AR
'
:
'
ar
'
}
# Compiler-specific flags
flags
=
''
if
self
.
compiler
.
name
==
'
intel
'
:
if
self
.
compiler
.
name
==
'
intel
'
:
flags
=
'
-O3 -ip -unroll -no-prec-div
'
elif
self
.
compiler
.
name
==
'
gcc
'
:
flags
=
'
-O3 -ffast-math -funroll-loops
'
...
...
@@ -84,15 +89,17 @@ def configure(self, spec):
# if the +openmp variant is chosen
blas
=
'
blas.a
'
lapack
=
'
lapack.a
'
if
'
+blas
'
in
spec
:
blas
=
join_path
(
spec
[
'
blas
'
].
prefix
.
lib
,
'
libblas.so
'
)
if
'
+blas
'
in
spec
:
blas
=
spec
[
'
blas
'
].
blas_shared_lib
if
'
+lapack
'
in
spec
:
lapack
=
join_path
(
spec
[
'
lapack
'
].
prefix
.
lib
,
'
liblapack.so
'
)
config
[
'
LIB_LPK
'
]
=
'
'
.
join
([
lapack
,
blas
])
# lapack must come before blas
lapack
=
spec
[
'
lapack
'
].
lapack_shared_lib
# lapack must come before blas
config
[
'
LIB_LPK
'
]
=
'
'
.
join
([
lapack
,
blas
])
# FFT support
if
'
+fft
'
in
spec
:
config
[
'
LIB_FFT
'
]
=
join_path
(
spec
[
'
fftw
'
].
prefix
.
lib
,
'
libfftw3.so
'
)
config
[
'
LIB_FFT
'
]
=
join_path
(
spec
[
'
fftw
'
].
prefix
.
lib
,
'
libfftw3.so
'
)
config
[
'
SRC_FFT
'
]
=
'
zfftifc_fftw.f90
'
else
:
config
[
'
LIB_FFT
'
]
=
'
fftlib.a
'
...
...
@@ -100,8 +107,8 @@ def configure(self, spec):
# MPI support
if
'
+mpi
'
in
spec
:
config
[
'
F90
'
]
=
join_path
(
spec
[
'
mpi
'
].
mpifc
)
config
[
'
F77
'
]
=
join_path
(
spec
[
'
mpi
'
].
mpif77
)
config
[
'
F90
'
]
=
spec
[
'
mpi
'
].
mpifc
config
[
'
F77
'
]
=
spec
[
'
mpi
'
].
mpif77
else
:
config
[
'
F90
'
]
=
join_path
(
spack
.
build_env_path
,
'
f90
'
),
config
[
'
F77
'
]
=
join_path
(
spack
.
build_env_path
,
'
f77
'
),
...
...
@@ -133,7 +140,6 @@ def configure(self, spec):
for
key
in
config
:
inc
.
write
(
'
{0} = {1}
\n
'
.
format
(
key
,
config
[
key
]))
def
install
(
self
,
spec
,
prefix
):
# Elk only provides an interactive setup script
self
.
configure
(
spec
)
...
...
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