Not sure how best to do this.
This issue (https://github.com/rdkit/rdkit/issues/911) is closed, and
only partly relevant.
I'm happy to open a new issue to handle the CMake/CPack stuff for both
deb and rpm, but not sure is that is really the way to go, considering
Gianluca's comments.
What I
Read back to the top of this thread for all the details, but the key bit
is this:
In the bugtracker, there is an issue about the .deb:
https://github.com/rdkit/rdkit/issues/911
and there is a pull request by Patrick Avery
to fix them:
https://github.com/rdkit/rdkit/pull/1580
Tim
On 01/1
On Fri, Dec 1, 2017 at 6:04 PM, Tim Dudgeon wrote:
> Maciek
>
> The 'cpack -G RPM' command does not seem to create a rdkit_package_file.rpm.
> The ones that are created are:
>
> RDKit-2018.03.1.dev1-Linux-Development.rpm
> RDKit-2018.03.1.dev1-Linux-Extras.rpm
> RDKit-2018.03.1.dev1-Linux-Python.r
Francois,
I'm assuming you are meaning to install those packages on the debian
system prior to installing the RDKit-2018.03.1.dev1-Linux-*.deb files.
Unfortunately that didn't help.
Tim
On 27/11/2017 23:50, Francois BERENGER wrote:
On 11/28/2017 12:42 AM, Tim Dudgeon wrote:
I see exactly t
Maciek
The 'cpack -G RPM' command does not seem to create a rdkit_package_file.rpm.
The ones that are created are:
RDKit-2018.03.1.dev1-Linux-Development.rpm
RDKit-2018.03.1.dev1-Linux-Extras.rpm
RDKit-2018.03.1.dev1-Linux-Python.rpm
RDKit-2018.03.1.dev1-Linux-Runtime.rpm
Tim
On 28/11/2017 08
Hi Tim and Francois,
To fix missing dependencies use "sudo apt install -f" and use "yum install
rdkit_package_file.rpm" to install package to have all the dependencies.
On Debian (based systems) I prefer to install standalone packages via gdebi
which does this automatically.
Pozdrawiam, |
On 11/28/2017 12:42 AM, Tim Dudgeon wrote:
> I see exactly the same when I build with those cmake args.
Maybe you are missing some of the dependencies.
I don't think the packages we create have all the dependency information:
fonts-freefont-ttf,
libboost-python1.58.0,
libboost-regex1.58.0,
libboo
I see exactly the same when I build with those cmake args.
On 27/11/2017 09:11, Francois BERENGER wrote:
On 11/27/2017 06:01 PM, Tim Dudgeon wrote:
I did:
cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_INSTALL_INTREE=OFF
-DCMAKE_INSTALL_PREFIX=/usr/ ..
Try this instead, just for the cmake part:
c
On 11/27/2017 06:01 PM, Tim Dudgeon wrote:
> I did:
>
> cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_INSTALL_INTREE=OFF
> -DCMAKE_INSTALL_PREFIX=/usr/ ..
Try this instead, just for the cmake part:
cmake -Wno-dev \
-DRDK_INSTALL_INTREE=OFF \
-DRDK_BUILD_INCHI_SUPPORT=ON \
-DRDK_BUILD_AVAL
I did:
cmake -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_INSTALL_INTREE=OFF
-DCMAKE_INSTALL_PREFIX=/usr/ ..
cpack -G DEB
cpack -G RPM
On 27/11/2017 00:05, Francois BERENGER wrote:
Hello,
What are the exact commands you used to configure and compile rdkit?
The script in there is my best attempt:
ht
Hello,
What are the exact commands you used to configure and compile rdkit?
The script in there is my best attempt:
https://github.com/rdkit/rdkit/pull/1655
Regards,
F.
On 11/25/2017 12:50 AM, Tim Dudgeon wrote:
> I got round to testing the debs and rpms but without success.
>
> For the debs
I got round to testing the debs and rpms but without success.
For the debs the following were built:
RDKit-2018.03.1.dev1-Linux-Development.deb
RDKit-2018.03.1.dev1-Linux-Extras.deb
RDKit-2018.03.1.dev1-Linux-Python.deb
RDKit-2018.03.1.dev1-Linux-Runtime.deb
On a clean Ubuntu Xenial system, wit
Thank you.
I now have RPMs built:
CPackRPM: Will use GENERATED spec file:
/rdkit/build/_CPack_Packages/Linux/RPM/SPECS/rdkit-Runtime.spec
CPack: - package:
/rdkit/build/RDKit-2018.03.1.dev1-Linux-Development.rpm generated.
CPack: - package: /rdkit/build/RDKit-2018.03.1.dev1-Linux-Extras.rpm
ge
apt install rpm
should get you rpmbuild
-David
> On Nov 15, 2017, at 2:59 PM, Tim Dudgeon wrote:
>
> OK, makes sense, but I'm building on a Debian system. So neither 'yum install
> rpm-build' nor 'apt-get install rpm-build' doesn't work.
>
> So (sorry for the stupid question) can DEBs only b
OK, makes sense, but I'm building on a Debian system. So neither 'yum
install rpm-build' nor 'apt-get install rpm-build' doesn't work.
So (sorry for the stupid question) can DEBs only be built on a Debian
based system and RPMs om a Red Hat based system?
On 15/11/2017 19:31, Paolo Tosco wrote
Hi Tim,
It looks like you are missing the rpmbuild binary on the machine where
you are trying to build the RPM.
Issuing a
yum install rpm-build
as root should get it installed.
Cheers,
p.
On 11/15/17 19:00, Tim Dudgeon wrote:
So this now seems to have been merged to master so I gave it a
So this now seems to have been merged to master so I gave it a try:
root@f083c3e3b6a1:/rdkit/build# cmake -DRDK_BUILD_INCHI_SUPPORT=ON
-DRDK_INSTALL_INTREE=OFF -DCMAKE_INSTALL_PREFIX=/usr/ ..
-- Could NOT find InChI in system locations (missing: INCHI_LIBRARY
INCHI_INCLUDE_DIR)
CUSTOM_INCHI_PA
On 11/08/2017 08:47 PM, Tim Dudgeon wrote:
There is mention of RPM distributions of RDKit
(https://copr.fedorainfracloud.org/coprs/giallu/rdkit/).
But on trying these:
1. the distro is based on the 2017_03_1 release
2. it fails due to missing libinchi.so.1 dependency.
In the bugtracker, ther
There is mention of RPM distributions of RDKit
(https://copr.fedorainfracloud.org/coprs/giallu/rdkit/).
But on trying these:
1. the distro is based on the 2017_03_1 release
2. it fails due to missing libinchi.so.1 dependency.
This is presumably no longer being maintained?
Anything that can be
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