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cluster:180 [2019/07/18 12:02] hmeij07 |
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====== OpenStructure ====== | ====== OpenStructure ====== | ||
- | Open-Source Computational Structural Biology Framework. "This project aims to provide an open-source, | + | Open-Source Computational Structural Biology Framework. "This project aims to provide an open-source, |
* v 1.9 installed | * v 1.9 installed | ||
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* recipe at / | * recipe at / | ||
- | OpenStructure relies on these applications and Python 2.7.15. All applications including Python need to compiled with --enable-share in the configuration step. A step by step process is listed below. | + | OpenStructure relies on these applications and Python 2.7.15. All applications including Python need to compiled with --enable-share in the configuration step, if possible. A step by step process is listed below. |
< | < | ||
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-- Found TIFF: / | -- Found TIFF: / | ||
+ | </ | ||
====== Compilations ====== | ====== Compilations ====== | ||
- | Use '' | + | Use '' |
< | < | ||
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pip install numpy scipy | pip install numpy scipy | ||
- | wget https:// | + | wget https:// |
+ | tar zxvf boost_1_68_0.tar | ||
+ | cd boost_1_68_0.tar | ||
./ | ./ | ||
--with-python=/ | --with-python=/ | ||
Line 59: | Line 62: | ||
./b2 install | ./b2 install | ||
export LD_LIBRARY_PATH=/ | export LD_LIBRARY_PATH=/ | ||
+ | |||
+ | # brute fix for boost to find libs | ||
+ | cp -p libboost_python27.a libboost_python.a | ||
+ | cp -p libboost_python27.so.1.68.0 libboost_python.so | ||
wget http:// | wget http:// | ||
Line 75: | Line 82: | ||
cd fftw-3.3.8/ | cd fftw-3.3.8/ | ||
mkdir -p / | mkdir -p / | ||
- | ./configure --enable-shared | + | ./configure --enable-share --enable-single |
+ | --prefix=/ | ||
make | make | ||
make install | make install | ||
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export LD_LIBRARY_PATH=/ | export LD_LIBRARY_PATH=/ | ||
- | tar -zxvf ../ | + | tar zxvf ../ |
cd libpng-1.6.37/ | cd libpng-1.6.37/ | ||
./configure --prefix=/ | ./configure --prefix=/ | ||
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export LD_LIBRARY_PATH=/ | export LD_LIBRARY_PATH=/ | ||
+ | # openstructure | ||
git clone https:// | git clone https:// | ||
cd openstructure-1.9/ | cd openstructure-1.9/ | ||
- | cd / | + | cd / |
- | # fix for boost to find libs | + | |
- | cp -p libboost_python27.a libboost_python.a | + | |
- | cp -p libboost_python27.so.1.68.0 libboost_python.so | + | |
rm -f cmakelog; cmake \ | rm -f cmakelog; cmake \ | ||
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-DUSE_NUMPY=ON -DENABLE_MM=OFF \ | -DUSE_NUMPY=ON -DENABLE_MM=OFF \ | ||
-DENABLE_STATIC=OFF | tee cmake.log | -DENABLE_STATIC=OFF | tee cmake.log | ||
- | |||
make | make | ||
make install | make install | ||
+ | |||
# [100%] Built target actions | # [100%] Built target actions | ||
+ | |||
export PATH=/ | export PATH=/ | ||
export LD_LIBRARY_PATH=/ | export LD_LIBRARY_PATH=/ | ||
+ | |||
</ | </ | ||
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Remarkably complex compilations. | Remarkably complex compilations. | ||
+ | |||
+ | ====== cmake.log ====== | ||
+ | |||
+ | < | ||
+ | |||
+ | -- The CXX compiler identification is GNU 4.8.4 | ||
+ | -- The C compiler identification is GNU 4.8.4 | ||
+ | -- Check for working CXX compiler: / | ||
+ | -- Check for working CXX compiler: / | ||
+ | -- Detecting CXX compiler ABI info | ||
+ | -- Detecting CXX compiler ABI info - done | ||
+ | -- Detecting CXX compile features | ||
+ | -- Detecting CXX compile features - done | ||
+ | -- Check for working C compiler: / | ||
+ | -- Check for working C compiler: / | ||
+ | -- Detecting C compiler ABI info | ||
+ | -- Detecting C compiler ABI info - done | ||
+ | -- Detecting C compile features | ||
+ | -- Detecting C compile features - done | ||
+ | -- Looking for sys/types.h | ||
+ | -- Looking for sys/types.h - found | ||
+ | -- Looking for stdint.h | ||
+ | -- Looking for stdint.h - found | ||
+ | -- Looking for stddef.h | ||
+ | -- Looking for stddef.h - found | ||
+ | -- Check size of void* | ||
+ | -- Check size of void* - done | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- | ||
+ | -- | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- regex | ||
+ | -- Boost version: 1.68.0 | ||
+ | -- Found the following Boost libraries: | ||
+ | -- | ||
+ | -- Found ZLIB: / | ||
+ | -- Found PNG: / | ||
+ | -- Found EIGEN: / | ||
+ | -- Numpy headers found | ||
+ | -- Found FFTW: / | ||
+ | -- Found TIFF: / | ||
+ | -- LSB-Release system information:: | ||
+ | LSB Distributor-ID: | ||
+ | LSB Release: 6.10 | ||
+ | LSB Codename: final | ||
+ | | ||
+ | -- OpenStructure will be built with the following options: | ||
+ | | ||
+ | RPath in install | ||
+ | Info support | ||
+ | | ||
+ | | ||
+ | | ||
+ | Image Processing support | ||
+ | | ||
+ | Numpy support | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | -- Configuring done | ||
+ | -- Generating done | ||
+ | -- Build files have been written to: / | ||
+ | |||
+ | </ | ||
+ | |||