Have build: and run: sections match
@@ -13,8 +13,27 @@ build:
requirements:
build:
- python
+ - pandas
+ - numpy >=1.14
+ - scipy
- cython
- - setuptools
+ - netcdf4 >=1.4.2 # after bugfix: "always return masked array by default, even if there are no masked values"
+ - libnetcdf >=4.6.2 # workaround for libssl issues
+ - openmm >=7.3
+ - mdtraj >=1.7.2
+ - openmmtools >=0.17.0
+ - pymbar
+ - ambermini >=16.16.0
+ - docopt
+ - openmoltools >=0.7.5
+ - mpi4py
+ - pyyaml
+ - clusterutils
+ - sphinxcontrib-bibtex
+ - cerberus >=1.2 # requires >= 1.2 for py37 builds
+ - matplotlib
+ - jupyter
+ - pdbfixer
run:
- python
