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Martin Kurečka
Plumed AlphaFold
Commits
8d1977be
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Commit
8d1977be
authored
7 years ago
by
Giovanni Bussi
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Merge branch 'v2.4'
parents
d9df6e52
26cf0c0a
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macports/Portfile.in
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-21
34 additions, 21 deletions
macports/Portfile.in
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21 deletions
macports/Portfile.in
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34
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21
View file @
8d1977be
...
@@ -2,14 +2,16 @@
...
@@ -2,14 +2,16 @@
PortSystem 1.0
PortSystem 1.0
name plumed
# Notice that this rules out gcc variants.
# See https://github.com/macports/macports-ports/pull/1252
PortGroup cxx11 1.1
PortGroup mpi 1.0
PortGroup mpi 1.0
PortGroup linear_algebra 1.0
PortGroup linear_algebra 1.0
PortGroup debug 1.0
PortGroup debug 1.0
PortGroup cxx11 1.1
version @_VERSION_@
version @_VERSION_@
revision @_REVISION_@
revision @_REVISION_@
name plumed
categories science
categories science
# Most of the PLUMED code is L-GPL3. However, PLUMED containts
# Most of the PLUMED code is L-GPL3. However, PLUMED containts
...
@@ -47,12 +49,12 @@ homepage http://www.plumed.org/
...
@@ -47,12 +49,12 @@ homepage http://www.plumed.org/
# statically to an MD code.
# statically to an MD code.
# --disable-mpi: Do not search for MPI compiler (replaced when enabling mpi, see below)
# --disable-mpi: Do not search for MPI compiler (replaced when enabling mpi, see below)
configure.args-append
\
configure.args-append
\
--disable-doc
\
--disable-doc
\
--disable-libsearch
\
--disable-libsearch
\
--disable-static-patch
\
--disable-static-patch
\
--disable-mpi
\
--disable-mpi
\
--disable-python
\
--disable-python
\
BASH_COMPLETION_DIR=$
{
prefix
}
/share/bash-completion/completions
BASH_COMPLETION_DIR=$
{
prefix
}
/share/bash-completion/completions
# Hardcode path for libplumedKernel.dylib.
# Hardcode path for libplumedKernel.dylib.
# This allows to patch MD codes using the --runtime option but using as
# This allows to patch MD codes using the --runtime option but using as
...
@@ -66,34 +68,45 @@ mpi.setup
...
@@ -66,34 +68,45 @@ mpi.setup
# To enable mpi, replace a configure flag
# To enable mpi, replace a configure flag
if
{[
mpi_variant_isset
]}
{
if
{[
mpi_variant_isset
]}
{
configure.args-replace --disable-mpi --enable-mpi
configure.args-replace --disable-mpi --enable-mpi
# command should be included in a pre-configure block to access properly the mpi.exec variable
# command should be included in a pre-configure block to access properly the mpi.exec variable
pre-configure
{
pre-configure
{
# MPIEXEC is stored so that it can be used to perform tests
# MPIEXEC is stored so that it can be used to perform tests
configure.args-append MPIEXEC=
"
${mpi.exec}
"
configure.args-append MPIEXEC=
"
${mpi.exec}
"
}
}
}
}
# Libraries.
# Libraries.
# Library names are specified here to make sure that
# Library names are specified here to make sure that
# only requested packages are linked.
# only requested packages are linked.
configure.ldflags-append -lxdrfile -lz -lgsl
configure.ldflags-append
\
depends_lib-append port:xdrfile port:zlib port:gsl
-lxdrfile -lz -lgsl
depends_lib-append port:gsl
\
port:xdrfile
\
port:zlib
# C++ library
# Required in order to use clang with gcc library on old OSX versions.
# See https://github.com/macports/macports-ports/pull/1254
if
[
string match *clang* $
{
configure.compiler
}]
{
configure.ldflags-append -stdlib=$
{
configure.cxx_stdlib
}
}
# This variant enables optional modules in PLUMED.
# This variant enables optional modules in PLUMED.
# Notice that one of the optional modules (drr) requires boost_serialization
# Notice that one of the optional modules (drr) requires boost_serialization
variant allmodules description
{
Enable all optional modules
}
{
variant allmodules description
{
Enable all optional modules
}
{
configure.args-append --enable-modules=all --enable-boost-serialization
configure.args-append --enable-modules=all
configure.ldflags-append -lboost_serialization-mt
configure.args-append --enable-boost-serialization
depends_lib-append port:boost
configure.ldflags-append -lboost_serialization-mt
depends_lib-append port:boost
}
}
@_PYTHON_@
@_PYTHON_@
# Link lapack/blas libraries
# Link lapack/blas libraries
pre-configure
{
pre-configure
{
# commands should be included in a pre-configure block to access tcl variables
# commands should be included in a pre-configure block to access tcl variables
configure.ldflags-append $
{
linalglib
}
configure.ldflags-append $
{
linalglib
}
}
}
# Allow running tests from MacPorts
# Allow running tests from MacPorts
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