Closed Clarkszw closed 10 months ago
Thanks for your interest in Molassembler! Getting the installation from PyPI to work is probably easiest, so I suggest to focus on that first. May I kindly ask what Python version you're using? I'm suspecting that you're using a version for which we currently don't supply a package, but that would be easy to fix for us.
Hi @weymutht, thanks for your quick response. I am using Python 3.11.4. I can see the prebuilt wheels are for cp3.6-cp.3.9, I can also try on python 3.9 first:)
After installing another dependency scine-utilities-python
from conda-forge
, I have successfully installed scine-molassembler
via pip with Python 3.9.16
Great to hear! Please note that the packages on conda forge are provided by a third party. If I'm correct, the most recent version of the utilities package on conda forge is 6.0.0, which is a bit behind the most recent official release (version 8.0.0). I recommend to rely on PyPI if possible.
(I think there is not yet a package for the utilities for Python 3.9 available. I could easily provide you if you decide to stick to Python 3.9.)
yes, scine-utilities-python
is 6.0.0
Could you provide me the package for python 3.9. Or if it is easier, you can guide me how to install it in another python version? (did I simply downgrade to, fx 3.8, to install the latest utilities package?
Packages for Python 3.9 and 3.10 are now available for version 8.0.0 on PyPI. (Downgrading to Python 3.8 would also have been a possibility.)
Hi Expert, Need some help to install the library.. I have tried to follow the instruction. But no luck to success..
CMake
Could you elaborate _"When building with CMake, Boost and Eigen must be installed and available via CMake's find_package (e.g. via CMAKE_PREFIXPATH). " I have downloaded Boost and Eigen, but I don't find out how to link it to CMake.. (via modifying
CMakeLists.txt
?) Here is the output when I try to runcmake -DCMAKE_BUILD_TYPE=Rlease ..
in thebuild-release
directory:conan
Here is the output when I run
conan install -r scine --build=missing scine_molassembler/2.0.0@
seems missing Conanfile to configure the process?..(how to create then?)
PyPI
run
python3 -m pip install scine-molassemler
gives me:I have checked https://pypi.org/project/scine-molassembler/#files for the release. It shows another package name with
-
instead of_
. But it gives me the same response when I runpip install scine-molassembler
:I am really interested in the library, but get frustrated in installation.. HELP.. :)