[gmx-users] Problem compiling Gromacs 5.1

Justin Lemkul jalemkul at vt.edu
Thu Aug 20 14:44:27 CEST 2015



On 8/20/15 8:42 AM, 岡部篤俊 wrote:
> Thanks, Peter.
> But , I mean I don’t know what line I should change to from line 52 of cmake/FindPhinx.cmake to solve this error.
>

Mark's message provided the corrected line.  Just replace whatever is on line 52 
with that.

-Justin

> Leucer
>
> 2015/08/20 16:02、Kroon, P.C. <p.c.kroon at rug.nl> のメール:
>
>> Just use your favourite text editor.
>>
>> Peter
>>
>> On Thu, Aug 20, 2015 at 3:10 AM, <atsutoshi0708 at gmail.com> wrote:
>>
>>> Line 52 of cmake/FindSphinx.cmake file is written below.
>>> string(REGEX REPLACE "Sphinx \\([^)]*\\) ([^ ]+)" "\\1"
>>> SPHINX_EXECUTABLE_VERSION "${SPHINX_VERSION_OUTPUT_VARIABLE}")
>>>
>>> Can you tell me how I can change the line?
>>>
>>> Bests,
>>> Leucer
>>>
>>>
>>> 2015/08/19 23:11、Mark Abraham <mark.j.abraham at gmail.com> のメッセージ:
>>>
>>>> Hi,
>>>>> On Wed, Aug 19, 2015 at 3:49 PM 岡部篤俊 <atsutoshi0708 at gmail.com> wrote:
>>>>>
>>>>> Hi,
>>>>>
>>>>> I am unable to  compile Gromamcs 5.1 using the following cmake command.
>>>>> cmake .. -DGMX_FFT_LIBRARY=fftpack
>>>>> -DCMAKE_INSTALL_PREFIX=gromacs/gromacs-5.1 -DGMX_DOUBLE=off
>>>>> -DGMX_THREAD_MPI=off -DGMX_MPI=on -DGMX_CPU_ACCELERATION=SSE4.1
>>>>
>>>>
>>>> Unrelated, but you now need to use -DGMX_SIMD=SSE4.1 to have the same
>>>> effect.
>>>>
>>>>
>>>>> -DGMX_USE_RDTSCP=off
>>>>>
>>>>> Then I got the error message.
>>>>> Boost >= 1.44 not found. Using minimal internal version. This may cause
>>>>> trouble if you plan on compiling/linking other software that uses Boost
>>>>> against GROMACS.
>>>>> CMake Error at cmake/FindSphinx.cmake:52 (string):
>>>>> string sub-command REGEX, mode REPLACE needs at least 6 arguments total
>>>>> to
>>>>> command.
>>>>> Call Stack (most recent call first):
>>>>> docs/CMakeLists.txt:62 (find_package)
>>>>>
>>>>> Could you advice what could be causing this error?
>>>>
>>>> We try to find Sphinx in case people want to build the new documentation,
>>>> but it looks like some part of the detection isn't reliable enough. Can
>>> you
>>>> please try changing line 52 of cmake/FindSphinx.cmake to read
>>>>
>>>>    string(REGEX REPLACE "Sphinx \\([^)]*\\) ([^ ]+)" "\\1"
>>>> SPHINX_EXECUTABLE_VERSION "${SPHINX_VERSION_OUTPUT_VARIABLE}")
>>>>
>>>> and let us know how you go?
>>>>
>>>> Mark
>>>>
>>>> I was able to compile Gromacs 5.0 using same cmake command….
>>>>>
>>>>> Bests,
>>>>> Leucer
>>>>> --
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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