I complied gromacs 4.6.3 with -DBUILD_SHARED_LIBS=ON. The only libraries
that I find are:
libmd.so libgmxana.so libgmxpreprocess.so libgmx.so
which are also produced without specifying -DBUILD_SHARED_LIBS=ON There is
no library called libmdrun.so like the one used in grompy. Could it be
that libmdrun.so is replaced by libmd.so in version 4.6.3? Does the
command mdrun call libmd.so?
Thanks,
Gianluca
On Sat, 31 Aug 2013, Justin Lemkul wrote:
On 8/31/13 2:16 PM, Gianluca Interlandi wrote:
After reading a bit more in the grompy directory, I found that the file
__init__.py loads the necessary libraries, e.g., mdrun.so. This is because
gromacs (they use version 4.0.7) was compiled with the flag
--enable-shared. I
am using version 4.6.3 which uses "cmake" instead of "configure". Is there
an
equivalent flag for cmake that corresponds to "--enable-shared"?
-DBUILD_SHARED_LIBS=ON
-Justin
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Justin A. Lemkul, Ph.D.
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