I don't think that should be a problem. The versions should already be
pinned to a particular commit of both libraries in this case:
https://github.com/rdkit/rdkit/blob/Release_2018_03_2/External/CoordGen/CMakeLists.txt
I'm somewhat confused that you're seeing md5 errors at all since the
2018.03.2 version of the code doesn't have md5s for this package.
@Kaushik: which version of the RDKit source are you using?
-greg
On Thu, Jun 28, 2018 at 12:46 PM Dan Nealschneider <
[email protected]> wrote:
> 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 <[email protected]>
> 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
>>
>>
>> ------------------------------------------------------------------------------
>> Check out the vibrant tech community on one of the world's most
>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>> _______________________________________________
>> Rdkit-discuss mailing list
>> [email protected]
>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> Rdkit-discuss mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
