retry cython build for windows (#1082)

* retry cython build for windows

* with numpy

* with numpy

* remove all pip dependencies

* disable mdtraj dep on Windows

* works with mdtraj

* make compatible with master

.github/workflows/test_and_publish.yml

@@ -73,7 +73,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: ["ubuntu-latest", "macos-latest"]
+        os: ["ubuntu-latest", "macos-latest", "windows-latest"]
         python-version: ["3.8", "3.9", "3.10"]
 
     steps:

package/htmd/DEPENDENCIES_WIN

@@ -28,7 +28,7 @@ scipy >=1.10.1
 # For moleculekit full install
 propka >=3.4.0
 pdb2pqr >=3.5.2+18
-# mdtraj >=1.9.9
+mdtraj >=1.9.9
 # plumed >=2.7.3
 openbabel >=3.1.1
 rdkit >=2020.09.3

pyproject.toml

@@ -9,26 +9,7 @@ classifiers = [
   "Programming Language :: Python :: 3",
   "Operating System :: POSIX :: Linux",
 ]
-dependencies = [
-  "numpy>=1.17",
-  "deeptime",
-  "natsort",
-  "joblib",
-  "scikit-learn",
-  "nglview",
-  "pandas>=1.1.2",
-  "pint",
-  "matplotlib",
-  "protocolinterface",
-  "networkx",
-  "tqdm",
-  "moleculekit>=0.9.12",
-  "jobqueues",
-  "propka",
-  "mdtraj",
-  "openpyxl",
-  "h5py",
-]
+dependencies = []
 
 [project.urls]
 "Homepage" = "https://github.com/Acellera/htmd"