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remove Julia deps from main env file (to find where things break)
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also numdifftools is on conda-forge
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JacksonBurns committed Sep 21, 2023
1 parent 7dfe27d commit eb7dd50
Showing 1 changed file with 2 additions and 10 deletions.
12 changes: 2 additions & 10 deletions environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -45,10 +45,6 @@ dependencies:
- conda-forge::cclib >=1.6.3,!=1.8.0
- conda-forge::openbabel >= 3

# general-purpose external software tools
- conda-forge::julia>1.9.0
- conda-forge::pyjulia >=0.6

# Python tools
- python >=3.7
- coverage
Expand All @@ -75,21 +71,20 @@ dependencies:
- matplotlib >=1.5
- mpmath
- pandas
- conda-forge::numdifftools

# packages we maintain
- rmg::gprof2dot
- rmg::lpsolve55
- rmg::muq2
- rmg::numdifftools
- rmg::pydas >=1.0.3
- rmg::pydqed >=1.0.3
- rmg::pyrdl
- rmg::pyrms
- rmg::quantities
- rmg::symmetry

# packages we would like to stop maintaining (and why)
- rmg::diffeqpy
#- rmg::diffeqpy
# we should use the official verison https://github.com/SciML/diffeqpy),
# rather than ours (which is only made so that we can get it from conda)
# It is only on pip, so we will need to do something like:
Expand All @@ -103,9 +98,6 @@ dependencies:
# We should use the official channel, not sure how difficult this
# change will be.

# conda mutex metapackage
- nomkl

# additional packages that are required, but not specified here (and why)
# pydqed, pydas, mopac, and likely others require a fortran compiler (specifically gfortran)
# in the environment. Normally we would add this to the environment file with
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