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Commit 7ab7ea88 authored by Giovanni Bussi's avatar Giovanni Bussi
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Fixed documentation for MacPorts

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...@@ -552,14 +552,18 @@ Notice that plumed comes with many variants that can be inspected with the comma ...@@ -552,14 +552,18 @@ Notice that plumed comes with many variants that can be inspected with the comma
> sudo port info plumed > sudo port info plumed
Plumed uses variants to support different compilers. Plumed uses variants to support different compilers.
For instance, you can install plumed with openmpi using For instance, you can install plumed with mpich using
> sudo port install plumed +openmpi > sudo port install plumed +mpich
Using gcc instead of native compilers is recommended so as to Using more recent clang instead of native compilers is recommended so as to
take advantage of openMP take advantage of openMP
> sudo port install plumed +openmpi +gcc7 > sudo port install plumed +mpich +clang50
Notice that support for c++11 with gcc compilers is someway problematic within MacPorts
due to impossibility to use the system c++ library. For this reason, only clang compilers are supported
(see also [this discussion](https://github.com/macports/macports-ports/pull/1252)).
Variants can be also used to compile with debug flags (`+debug`), to pick a linear algebra library Variants can be also used to compile with debug flags (`+debug`), to pick a linear algebra library
(e.g. `+openblas`) and to enable all optional modules (`+allmodules`). (e.g. `+openblas`) and to enable all optional modules (`+allmodules`).
...@@ -576,18 +580,18 @@ under the subport `plumed-devel` that can be installed with ...@@ -576,18 +580,18 @@ under the subport `plumed-devel` that can be installed with
It is also possible to install a plumed-patched version of gromacs. It is also possible to install a plumed-patched version of gromacs.
For instance, you can use the following command to install For instance, you can use the following command to install
gromacs patched with plumed with gcc compiler and openmpi: gromacs patched with plumed with clang-5.0 compiler and mpich:
> sudo port install plumed +openmpi +gcc7 > sudo port install plumed +mpich +clang50
> sudo port install gromacs-plumed +openmpi +gcc7 > sudo port install gromacs-plumed +mpich +clang50
In case you want to combine gromacs with the unstable version of plumed, use this instead: In case you want to combine gromacs with the unstable version of plumed, use this instead:
> sudo port install plumed-devel +openmpi +gcc7 > sudo port install plumed-devel +mpich +clang50
> sudo port install gromacs-plumed +openmpi +gcc7 > sudo port install gromacs-plumed +mpich +clang50
Notice that gromacs should be compiled using the same compiler Notice that gromacs should be compiled using the same compiler
variant as plumed (in this example `+openmpi +gcc7`). In case this is not variant as plumed (in this example `+mpich +clang50`). In case this is not
true, compilation will fail. true, compilation will fail.
Also notice that gromacs is patched with plumed in runtime mode Also notice that gromacs is patched with plumed in runtime mode
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