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Martin Kurečka
Plumed AlphaFold
Commits
9cb86766
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Commit
9cb86766
authored
9 years ago
by
Giovanni Bussi
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Added doc for --enable-modules
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4e761f81
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user-doc/Modules.txt
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user-doc/Modules.txt
user-doc/extract
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user-doc/extract
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user-doc/Modules.txt
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@@ -8,11 +8,35 @@ code while others may wish to use some of PLUMED's more complicated features.
...
@@ -8,11 +8,35 @@ code while others may wish to use some of PLUMED's more complicated features.
For this reason the plumed source code is divided into modules, which users can
For this reason the plumed source code is divided into modules, which users can
activate or deactivate to their hearts content.
activate or deactivate to their hearts content.
- To activate a module add a file called modulename.on to the plumed2/src directory
You can activate a module at configure time using the keyword `--enable-modules`.
- To deactivate a module add a file called modulename.off to the plumed2/src directory
For example:
\verbatim
./configure --enable-modules=modulename
\endverbatim
will enable module called modulename. A module that is on by default can be disabled
using the following syntax
\verbatim
./configure --enable-modules=-modulename
\endverbatim
To enable or disable multiple modules one should provide them as a comma separated
list. Notice that `+modulename` and `modulename` both activate the module, whereas
`-modulename` deactivate it. E.g.
\verbatim
./configure --enable-modules=+crystallization,-colvar
\endverbatim
will disable the colvar module and enable the crystallization module.
If you repeat the `--enable-modules` keyword only the last one will be used. Thus
`./configure --enable-modules=crystallization --enable-modules=-colvar` will _not_ do what you expect!
Obviously, in the above instructions modulename should be replaced by the name of the
There are also some shortcuts available:
module that you would like to activate or deactivate.
- `./configure --enable-modules=all` to enable all optional modules. This includes the maximum number of features in PLUMED,
including modules that might not be properly functional.
- `./configure --enable-modules=none` or `./configure --disable-modules` to disable all optional modules. This produces a minimalistic
PLUMED which can be used as a library but has no command line tools and no collective variables or biasing methods.
- `./configure --enable-modules=reset` or `./configure --enable-modules` to enable the default modules.
The two kinds of syntax can be combined and, fox example, `./configure --enable-modules=none,colvar` will result
in a PLUMED with all the modules disabled with the exception of the colvar module.
Some modules are active by default in the version of PLUMED 2 that you download from
Some modules are active by default in the version of PLUMED 2 that you download from
the website while others are inactive. The following lists all of the modules that
the website while others are inactive. The following lists all of the modules that
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@@ -20,4 +44,11 @@ are available in plumed and tells you whether or not they are active by default.
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@@ -20,4 +44,11 @@ are available in plumed and tells you whether or not they are active by default.
@MODULES@
@MODULES@
Until PLUMED 2.1, the you could only switch on or off modules by adding files
in the plumed2/src directory:
- To activate a module add a file called modulename.on to the plumed2/src directory
- To deactivate a module add a file called modulename.off to the plumed2/src directory
Obviously, in the above instructions modulename should be replaced by the name of the
module that you would like to activate or deactivate.
*/
*/
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@@ -198,7 +198,7 @@ do
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@@ -198,7 +198,7 @@ do
print "<b> This is part of the '
$file
' \\link mymodules module \\endlink</b>"
print "<b> This is part of the '
$file
' \\link mymodules module \\endlink</b>"
print "</td> </tr>"
print "</td> </tr>"
print "<tr> <td width=60%%> </td> <td>"
print "<tr> <td width=60%%> </td> <td>"
print "<b> It is only available if you
add a file called '
$file
'.on to the plumed2/src directory prior to compilation
. "
print "<b> It is only available if you
configure PLUMED with ./configure --enable-modules='
$file
'
. "
print "Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.</b>"
print "Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.</b>"
print "</td> </tr>"
print "</td> </tr>"
print "</table>"
print "</table>"
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