conda-forge / pymol-open-source-feedstock

A conda-smithy repository for pymol-open-source.
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Conflict with ambertools conda-forge package #12

Open stefdoerr opened 3 years ago

stefdoerr commented 3 years ago

Issue:


Details about conda and system ( conda info ):

``` $ conda info active environment : base active env location : /home/sdoerr/miniconda3 shell level : 1 user config file : /home/sdoerr/.condarc populated config files : conda version : 4.10.3 conda-build version : not installed python version : 3.8.5.final.0 virtual packages : __cuda=11.2=0 __linux=5.11.0=0 __glibc=2.31=0 __unix=0=0 __archspec=1=x86_64 base environment : /home/sdoerr/miniconda3 (writable) conda av data dir : /home/sdoerr/miniconda3/etc/conda conda av metadata url : None channel URLs : https://repo.anaconda.com/pkgs/main/linux-64 https://repo.anaconda.com/pkgs/main/noarch https://repo.anaconda.com/pkgs/r/linux-64 https://repo.anaconda.com/pkgs/r/noarch package cache : /home/sdoerr/miniconda3/pkgs /home/sdoerr/.conda/pkgs envs directories : /home/sdoerr/miniconda3/envs /home/sdoerr/.conda/envs platform : linux-64 user-agent : conda/4.10.3 requests/2.24.0 CPython/3.8.5 Linux/5.11.0-40-generic ubuntu/20.04.2 glibc/2.31 UID:GID : 1000:1000 netrc file : None offline mode : False ```

Hi I am trying to install ambertools package together with pymol-open-source. There is a conflict in the latest versions:

$ conda create -n test_install ambertools=21.11 pymol-open-source=2.5.0 python=3.7 -c conda-forge
Collecting package metadata (current_repodata.json): done
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: \ 
Found conflicts! Looking for incompatible packages.
This can take several minutes.  Press CTRL-C to abort.
failed                                                                                                                                                                         

UnsatisfiableError: The following specifications were found to be incompatible with each other:

Output in format: Requested package -> Available versions

Package python conflicts for:
ambertools=21.11 -> cython -> python[version='2.7.*|3.5.*|3.6.*|>=2.7,<2.8.0a0|>=3.10,<3.11.0a0|>=3.6,<3.7.0a0|>=3.5,<3.6.0a0|3.4.*|3.7.*|3.9.*|3.8.*']
ambertools=21.11 -> python[version='>=3.7,<3.8.0a0|>=3.9,<3.10.0a0|>=3.8,<3.9.0a0']
python=3.7

Package mkl conflicts for:
pymol-open-source=2.5.0 -> numpy[version='>=1.19.5,<2.0a0'] -> mkl[version='>=2019.4,<2020.0a0|>=2019.4,<2021.0a0|>=2021.2.0,<2022.0a0|>=2021.3.0,<2022.0a0']
ambertools=21.11 -> libblas[version='>=3.8.0,<4.0a0'] -> mkl[version='2019.1.*|>=2019.0,<2020.0a0|>=2020.0,<2021.0a0|>=2020.4,<2021.0a0|>=2021.2.0,<2022.0a0|>=2021.3.0,<2022.0a0|>=2021.4.0,<2022.0a0|>=2019.4,<2021.0a0|>=2019.3,<2021.0a0|>=2019.1,<2021.0a0|>=2018.0.3,<2019.0a0|>=2018.0.2,<2019.0a0|>=2018.0.1,<2019.0a0|>=2018.0.0,<2019.0a0|>=2019.4,<2020.0a0']

Package setuptools conflicts for:
python=3.7 -> pip -> setuptools
ambertools=21.11 -> cython -> setuptoolsThe following specifications were found to be incompatible with your system:

  - feature:/linux-64::__glibc==2.31=0
  - feature:|@/linux-64::__glibc==2.31=0
  - ambertools=21.11 -> libgfortran-ng -> __glibc[version='>=2.17']
  - python=3.7 -> libgcc-ng[version='>=9.3.0'] -> __glibc[version='>=2.17']

Your installed version is: 2.31

Requesting for pymol-open-source=2.4.0 solves the conflict. This command works

$ conda create -n test_install ambertools=21.11 pymol-open-source=2.4.0 python=3.7 -c conda-forge

If I install first ambertools and then pymol-open-source it tries to downgrade the following packages:

  Downgrade:
───────────────────────────────────────────────────────────────────────────────────────

  - ambertools            21.11  py37h5d2b9b6_0       installed                      
  + ambertools            20.15  py37hc295af0_1       conda-forge/linux-64      96 MB
  - hdf5                 1.12.1  nompi_h2750804_101   installed                      
  + hdf5                 1.10.6  nompi_h6a2412b_1114  conda-forge/linux-64       3 MB
  - icu                    69.1  h9c3ff4c_0           installed                      
  + icu                    68.2  h9c3ff4c_0           conda-forge/linux-64      13 MB
  - libnetcdf             4.8.1  nompi_hb3fd0d9_101   installed                      
  + libnetcdf             4.7.4  nompi_h56d31a8_107   conda-forge/linux-64       1 MB