I've noticed this as well, I think it's because maeparser has been updated
since it was pinned within RDKit. You can work around this by downloading
the mae[arser manually to External outside the make process. This may also
be required for coordgen. I'll also submit a PR to either ignore the md5sum
for these packages for now (this is what is done for other fast moving
packages) or to get the correct tagged version of these libraries.
- dan nealschneider
(né wandschneider)
Senior Developer
Schr*ö*dinger, Inc
Portland, OR
On Mon, Jun 25, 2018 at 2:19 PM Kaushik Lakkaraju <kaus...@silcsbio.com>
wrote:
> 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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