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Martin Kurečka
Plumed AlphaFold
Commits
d52cb473
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Commit
d52cb473
authored
7 years ago
by
Giovanni Bussi
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Comments on macports file
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macports/Portfile.in
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21 additions, 12 deletions
macports/Portfile.in
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View file @
d52cb473
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@@ -15,7 +15,7 @@ categories science
# molfile plugins from VMD that are released with a BSD-like license
# http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/
license LGPL-3 BSD
maintainers gmail.com:giovanni.bussi openmaintainer
maintainers
{
gmail.com:giovanni.bussi
@GiovanniBussi
}
openmaintainer
description PLUMED is a plugin for molecular dynamics
long_description PLUMED is a plugin for molecular dynamics that can be used
\
in combination with popular molecular dynamics codes to perform biased simulations.
\
...
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@@ -27,25 +27,30 @@ homepage http://www.plumed.org/
@_FETCH_@
# This is required so that patch made with "git format-patch" work correctly
##
# This is required so that patch made with "git format-patch" work correctly
# patch.pre_args -p1
# In case patches from github should be included to fix behavior on macports one should
# - put patch files (as obtained with git format-patch) in files/ directory
# - list their name here:
### In case patches from github should be included to fix behavior on macports one should
### - put patch files (as obtained with git format-patch) in files/ directory
### - list their name here:
# patchfiles file1 \
# file2
### etc
# Disable additional features.
# They are then re-enabled when selecting proper variants
# this is important for features that require an additional package to be
# sure that even if the user has that package already installed plumed is
# not going to use it.
# Also avoid searching for doxygen.
# --disable-doc: Do not create documentation, and avoid searching for Doxygen.
# --disable-libsearch: Avoid searching libraries using their default names.
# This forces the libraries names to be explicitly passed (e.g. "-lz").
# It has the advantage that during compilation from source it does not
# link packages that are not explicitely required.
# --disable-static-patch: Avoid a number of tests that are only required when linking plumed
# statically to an MD code.
# --disable-mpi: Do not search for MPI compiler (replaced when enabling mpi, see below)
configure.args-append
\
--disable-doc
\
--disable-libsearch
\
--disable-static-patch
\
--disable-mpi
# Hardcode path for libplumedKernel.dylib.
# This allows to patch MD codes using the --runtime option but using as
# default kernel the installed one. In this way, MacPorts users
...
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@@ -56,11 +61,14 @@ configure.cppflags-append "-D__PLUMED_DEFAULT_KERNEL=${prefix}/lib/libplumedKern
compilers.choose cc cxx
mpi.setup
# To enable mpi, replace a configure flag
if
{[
mpi_variant_isset
]}
{
configure.args-replace --disable-mpi --enable-mpi
}
# libraries
# Libraries.
# Library names are specified here to make sure that
# only requested packages are linked.
configure.ldflags-append -lmatheval -lxdrfile -lz -lgsl
depends_lib-append port:libmatheval port:xdrfile port:zlib port:gsl
...
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@@ -69,6 +77,7 @@ variant allmodules description {Enable all optional modules} {
configure.args-append --enable-modules=all
}
# Link lapack/blas libraries
pre-configure
{
# commands should be included in a pre-configure block to access tcl variables
configure.ldflags-append $
{
linalglib
}
...
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