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Martin Kurečka
Plumed AlphaFold
Commits
8d9f0db7
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Commit
8d9f0db7
authored
6 years ago
by
Giovanni Bussi
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Merge branch 'v2.3' into v2.4
parents
2172258d
37eb6f4c
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CHANGES/v2.3.md
+1
-0
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CHANGES/v2.3.md
configure
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configure
configure.ac
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configure.ac
user-doc/Installation.md
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user-doc/Installation.md
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CHANGES/v2.3.md
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0
View file @
8d9f0db7
...
@@ -233,6 +233,7 @@ For developers:
...
@@ -233,6 +233,7 @@ For developers:
For users:
For users:
-
Fixed a problem leading to NaN derivatives of
\r
ef switchingfunction
`Q`
when distance between two atoms is large.
-
Fixed a problem leading to NaN derivatives of
\r
ef switchingfunction
`Q`
when distance between two atoms is large.
-
GROMACS patch updated to gromacs-2016.5.
-
GROMACS patch updated to gromacs-2016.5.
-
`./configure`
crashes if prefix is set to present working directory (notice that this choice was already leading to issues).
For developers:
For developers:
-
Fixed small issue in debug options of
\r
ef driver (see
\i
ssue{245}).
-
Fixed small issue in debug options of
\r
ef driver (see
\i
ssue{245}).
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configure
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@@ -8953,6 +8953,21 @@ then
...
@@ -8953,6 +8953,21 @@ then
prefix
=
/usr/local
prefix
=
/usr/local
fi
fi
{
$as_echo
"
$as_me
:
${
as_lineno
-
$LINENO
}
: checking If prefix is equal to present working directory"
>
&5
$as_echo_n
"checking If prefix is equal to present working directory... "
>
&6
;
}
# ignore cases where the directory does not exist:
normalized_prefix
=
"
`
cd
"
${
prefix
}
"
2>/dev/null
&&
pwd
||
true
`
"
if
test
"
`
pwd
`
"
=
"
$normalized_prefix
"
;
then
{
$as_echo
"
$as_me
:
${
as_lineno
-
$LINENO
}
: result: yes"
>
&5
$as_echo
"yes"
>
&6
;
}
as_fn_error
$?
"prefix should not be equal to the present working directory"
"
$LINENO
"
5
else
{
$as_echo
"
$as_me
:
${
as_lineno
-
$LINENO
}
: result: no"
>
&5
$as_echo
"no"
>
&6
;
}
fi
test
"
$program_prefix
"
!=
NONE
&&
test
"
$program_prefix
"
!=
NONE
&&
program_transform_name
=
"s&^&
$program_prefix
&;
$program_transform_name
"
program_transform_name
=
"s&^&
$program_prefix
&;
$program_transform_name
"
# Use a double $ so make ignores it.
# Use a double $ so make ignores it.
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configure.ac
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8d9f0db7
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@@ -1013,6 +1013,18 @@ then
...
@@ -1013,6 +1013,18 @@ then
prefix=/usr/local
prefix=/usr/local
fi
fi
AC_MSG_CHECKING([If prefix is equal to present working directory])
# ignore cases where the directory does not exist:
normalized_prefix="`cd "${prefix}" 2>/dev/null && pwd || true`"
if test "`pwd`" = "$normalized_prefix" ; then
AC_MSG_RESULT([yes])
AC_MSG_ERROR([prefix should not be equal to the present working directory])
else
AC_MSG_RESULT([no])
fi
AC_ARG_PROGRAM
AC_ARG_PROGRAM
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user-doc/Installation.md
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@@ -433,6 +433,9 @@ variable when installing, PLUMED will be installed in /usr/local.
...
@@ -433,6 +433,9 @@ variable when installing, PLUMED will be installed in /usr/local.
The install command should be executed with root permissions (e.g. "sudo make install")
The install command should be executed with root permissions (e.g. "sudo make install")
if you want to install PLUMED on a system directory.
if you want to install PLUMED on a system directory.
\w
arning Please
**do not**
set prefix to the current directory (
`./configure --prefix=$PWD`
). PLUMED
expects the installation directory to be a different one! You might want to use something like
`./configure --prefix=$PWD/install`
instead.
Notice that upon installation PLUMED might need to relink a library.
Notice that upon installation PLUMED might need to relink a library.
This was always true until version 2.1, but in version 2.2 libraries should
This was always true until version 2.1, but in version 2.2 libraries should
only be relinked if one changes the install prefix during when typing
`make install`
.
only be relinked if one changes the install prefix during when typing
`make install`
.
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