Hi all,
I am trying to install rdkit from source on Ubuntu 14.04 using the
following commands. I have a previously compiled 2016 version on the same
machine, so my paths for boost, python etc are already set.
The following is my sequence of steps:
1) wget https://github.com/rdkit/rdkit/archive/Release_2018_03_2.tar.gz
2) tar -xvzf Release_2018_03_2.tar.gz
3) cd rdkit-Release_2018_03_2
4) mkdir build
5) cd build
6) cmake .. -DCMAKE_INSTALL_PREFIX=/data/kaushik/apps/rdkit-2018
Upon doing so, I bump into configuration errors :
-- Boost version: 1.59.0
-- Found the following Boost libraries:
-- python
PYTHON Py_ENABLE_SHARED: 1
PYTHON USING LINK LINE: -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions
-Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g
-fwrapv -O2 -Wall -Wstrict-prototypes -D_FORTIFY_SOURCE=2 -g
-fstack-protector --param=ssp-buffer-size=4 -Wformat -Werror=format-security
-- Could NOT find Eigen3 (missing: EIGEN3_INCLUDE_DIR EIGEN3_VERSION_OK)
(Required is at least version "2.91.0")
Eigen3 not found, disabling the Descriptors3D build.
-- Boost version: 1.59.0
-- Found the following Boost libraries:
-- serialization
== Using strict rotor definition
Downloading
https://codeload.github.com/schrodinger/maeparser/tar.gz/83368293dcc0eb07562dadfb7728b8d18d23a6cb.
..
CMake Error at Code/cmake/Modules/RDKitUtils.cmake:194 (MESSAGE):
The md5 checksum for
/data/kaushik/src/rdkit-Release_2018_03_2/External/CoordGen/master.tar.gz
is incorrect; expected: 32c0c3b315bba49fbf4c41a07aa58528, found:
d41d8cd98f00b204e9800998ecf8427e
Call Stack (most recent call first):
External/CoordGen/CMakeLists.txt:9 (downloadAndCheckMD5)
-- Configuring incomplete, errors occurred!
Have others seen this problem? Could somebody please help with proceeding
forward with installation?
Thanks,
Kaushik
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