conda enviroment problem

sheng19331 commented 2 weeks ago

Hi,

i have the issue below when i installed it:

Could not solve for environment specs The following packages are incompatible ├─ ambertools ==23.3 py312h1577c9a_6 is requested and can be installed; └─ openmmforcefields ==0.11.2 pyhd8ed1ab_1 is not installable because it requires └─ ambertools >=20.0,<23 , which conflicts with any installable versions previously reported. I ried to install the 'openmmforcefield' in the latest version (1.13) which is compatible with the others. But it failed to go through the sample test, which incidated that openmmforcefield1.13 does support GAFF at the moment. Could you help me to figure out the problem for the installation of conda enviroment. Thanks

GravityPHY commented 2 weeks ago

I had the same issue when I was installed the conda environment. What I did is remove openmmforcefields in the yaml file and install the older version of openmmforcefields(version 0.11.2) manually in the conda environment.

Anupam-5 commented 2 weeks ago

I had the same issue when I was installed the conda environment. What I did is remove openmmforcefields in the yaml file and install the older version of openmmforcefields(version 0.11.2) manually in the conda environment.

hey! I had the same issue can you suggest which version of openmmforcefields should be installed and from where.

sheng19331 commented 2 weeks ago

I had the same issue when I was installed the conda environment. What I did is remove openmmforcefields in the yaml file and install the older version of openmmforcefields(version 0.11.2) manually in the conda environment.

Thanks for the reply. I have tried to manually installed the openmmforcefileds(0.11.2) with conda install in the environment. But it still complains as before. Could you tell me how exactly you did?

_ibMambaUnsatisfiableError: Encountered problems while solving:

package openmmforcefields-0.11.2-pyhd8ed1ab0 requires ambertools >=20.0,<23, but none of the providers can be installed Could not solve for environment specs The following packages are incompatible ├─ openmmforcefields 0.11.2 is installable and it requires │ └─ ambertools >=20.0,<23 with the potential options │ ├─ ambertools [20.0|20.10|...|21.9] would require │ │ └─ python >=3.6,<3.7.0a0 , which can be installed; │ ├─ ambertools [20.0|20.10|...|22.0] would require │ │ └─ python >=3.7,<3.8.0a0 , which can be installed; │ ├─ ambertools [20.0|20.10|...|22.5] would require │ │ └─ python >=3.8,<3.9.0a0 , which can be installed; │ ├─ ambertools [20.10|20.11|...|22.5] would require │ │ └─ python >=3.9,<3.10.0a0 , which can be installed; │ └─ ambertools [22.0|22.1|...|22.5] would require │ └─ python >=3.10,<3.11.0a0 , which can be installed; └─ pin-1 is not installable because it requires └─ python 3.12.* , which conflicts with any installable versions previously reported.

patrickbryant1 commented 2 weeks ago

Hi, I don't know if some of these packages have changed breaking the installation but we will look into it.

yuanyuan-ma commented 2 weeks ago

Hi, I don't know if some of these packages have changed breaking the installation but we will look into it.

Hello, I have the same problem. Has this problem been solved?

GravityPHY commented 2 weeks ago

I had the same issue when I was installed the conda environment. What I did is remove openmmforcefields in the yaml file and install the older version of openmmforcefields(version 0.11.2) manually in the conda environment.

hey! I had the same issue can you suggest which version of openmmforcefields should be installed and from where.

I downloaded 0.12.0 version (from https://github.com/openmm/openmmforcefields/archive/refs/tags/0.12.0.tar.gz)

GravityPHY commented 2 weeks ago

Also, when I was installing the environment, I removed all the hashcode after package version

patrickbryant1 commented 1 week ago

Seems like there are some workarounds, thanks! We will make a new distribution in a couple of weeks.

patrickbryant1 / Umol

conda enviroment problem #27