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mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.
GNU Lesser General Public License v3.0
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Unresolved Dependency with conda install #53

Closed nspiller closed 5 months ago

nspiller commented 6 years ago

Code Sample, a copy-pastable example if possible

version 1

conda create --name test_chemcoord -c mcocdawc chemcoord

version 2

conda create --name test_chemcoord 
source activate test_chemcoord
conda install -c mcacdawc chemcoord

version 3

conda create --name test_chemcoord 
conda install --name test_chemcoord -c mcocdawc chemcoord

All three give the error:

Fetching package metadata .............
Solving package specifications: 

PackageNotFoundError: Packages missing in current channels:

  - chemcoord -> pymatgen

We have searched for the packages in the following channels:

  - https://conda.anaconda.org/mcocdawc/linux-64
  - https://conda.anaconda.org/mcocdawc/noarch
  - https://repo.continuum.io/pkgs/main/linux-64
  - https://repo.continuum.io/pkgs/main/noarch
  - https://repo.continuum.io/pkgs/free/linux-64
  - https://repo.continuum.io/pkgs/free/noarch
  - https://repo.continuum.io/pkgs/r/linux-64
  - https://repo.continuum.io/pkgs/r/noarch
  - https://repo.continuum.io/pkgs/pro/linux-64
  - https://repo.continuum.io/pkgs/pro/noarch

Problem description

The dependency for pymatgen is not resolved via conda install. The installation and usage works flawlessly with pip install chemcoord, though: In the root environment conda list outputs among others chemcoord 2.0.2 <pip>.

Output of cc.show_versions()

INSTALLED VERSIONS ------------------ python: 3.6.2.final.0 python-bits: 64 OS: Linux OS-release: 4.8.0-53-generic machine: x86_64 processor: x86_64 LC_ALL: None LANG: en_US.UTF-8 LOCALE: en_US.UTF-8 chemcoord: 2.0.2 numpy: 1.13.1 scipy: 0.19.1 pandas: 0.20.3 numba: 0.35.0+10.g143f70e90 sortedcontainers: 1.5.7 sympy: 1.1.1 pytest: 3.2.1 pip: 9.0.1 setuptools: 36.5.0.post20170921 IPython: 6.1.0 sphinx: 1.6.3
mcocdawc commented 6 years ago

I don't know how to tell conda to use dependencies from other cannels than default. You can install chemcoord with conda, if you manually add conda-forge or matsci as channels. (In general it is a good idea anyway to add conda-forge).

I leave the issue open. Perhaps someone comes up with a good idea.

mcocdawc commented 5 months ago

since chemcoord is on conda-forge now anyway, this issue is solved.