APBS installation

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Karim Mahnam

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Oct 1, 2016, 1:43:37 PM10/1/16
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Hello Dear g_mmpbsa users
I have fedora core 24 and gcc6.
I want to install apbs 1.3 , but it says can not install apbs 1.3 with gcc 6. How can I remove gcc 6 and install gcc 4, When I remove gcc 4, I can not install gcc 4 , because it needs gcc.
How can I install apbs 1.4 on fedora core 23 or 24 with gcc 6?

 I download apbs 1.4 from apbs link:

https://github.com/Electrostatics/apbs-pdb2pqr/blob/master/apbs/README.md

 I did theses works:
I download apbs-pdb2pqr-apbs-1.4.2.1.tar.gz  and extract it. Then flow this instruction:
cd apbs-pdb2pqr-apbs-1.4.2.1
    git submodule init
    git submodule update
cmake /usr/local/apbs-pdb2pqr/apbs/src -DENABLE_PBAM=ON  -DENABLE_BEM=ON -DGET_MSMS=ON -DGET_NanoShaper=ON -DENABLE_PYTHON=ON  -DENABLE_GEOFLOW=ON -DBUILD_SHARED_LIBS=OFF

Then download pcre-devel-8.39-3.fc24.x86_64
rpm -Uvh pcre-devel-8.39-3.fc24.x86_64.rpm

Then download pcre2-10.20.tar.bz2 and extract it
cd pcre2-10.20
./configure
 make
 make install

Then download swig-3.0.10.tar.gz and extract it

cd swig-3.0.10
copy pcre-build.sh  from swig-3.0.10/Tools to swig-3.0.10 directory

./pcre-build.sh
./configure
 make
 make install
 make -k check
Then swing was installed and make check has not any error

cd apbs-pdb2pqr/apbs
make
it says :

make: *** No targets specified and no makefile found.  Stop
whould you please help me for installtion apbs?
Thank you very much.

g_mmpbsa Mailing List

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Oct 3, 2016, 5:04:58 AM10/3/16
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This issue is not related with g_mmpbsa. You should ask in APBS community how to install the APBS.

From the above written instructions, it appears that you have run cmake command wrong. All cmake options should be between cmake and source directory (e.g.: cmake [OPTIONS] /usr/local/apbs-pdb2pqr/apbs/src).  However, you wrote source directory just after cmake command.

For g_mmpbsa, please use  -DENABLE_GEOFLOW=OFF -DENABLE_PBAM=OFF  -DENABLE_BEM=OFF . Also, g_mmpbsa does not need pdb2pqr and therefore, you can use -DENABLE_PYTHON=OFF. In this case, you do not need to install Swig. 

g_mmpbsa Mailing List

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Oct 3, 2016, 5:07:10 AM10/3/16
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Please read first sentence in previous post as follows: This issue is not related with g_mmpbsa.
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