Release/1.0.0 (#245)

aiidalab_widgets_base/__init__.py

@@ -79,4 +79,4 @@
     "viewer",
 ]
 
-__version__ = "1.0.0rc4"
+__version__ = "1.0.0"

aiidalab_widgets_base/codes.py

@@ -165,7 +165,7 @@ class AiiDACodeSetup(ipw.VBox):
     prepend_text = Unicode()
     append_text = Unicode()
 
-    def __init__(self, **kwargs):
+    def __init__(self, path_to_root="../", **kwargs):
 
         style = {"description_width": "200px"}
 
@@ -178,7 +178,9 @@ def __init__(self, **kwargs):
         link((inp_label, "value"), (self, "label"))
 
         # Computer on which the code is installed. Two dlinks are needed to make sure we get a Computer instance.
-        inp_computer = ComputerDropdown(layout={"margin": "0px 0px 0px 125px"})
+        inp_computer = ComputerDropdown(
+            path_to_root=path_to_root, layout={"margin": "0px 0px 0px 125px"}
+        )
         dlink((inp_computer, "selected_computer"), (self, "computer"))
         dlink((self, "computer"), (inp_computer, "selected_computer"))
 
@@ -250,13 +252,13 @@ def _setup_code(self, _=None):
         with self._setup_code_out:
             clear_output()
             if self.label is None:
-                print("You did not specify code label")
+                print("You did not specify code label.")
                 return
             if not self.remote_abs_path:
-                print("You did not specify absolute path to the executable")
+                print("You did not specify absolute path to the executable.")
                 return
             if self.exists():
-                print(f"Code {self.label}@{self.computer.label} already exists")
+                print(f"Code {self.label}@{self.computer.label} already exists.")
                 return
             code = Code(remote_computer_exec=(self.computer, self.remote_abs_path))
             code.label = self.label

aiidalab_widgets_base/computers.py

@@ -3,7 +3,7 @@
 import os
 from copy import copy
 from os import path
-from subprocess import call, check_output
+from subprocess import CalledProcessError, call, check_output
 
 import ipywidgets as ipw
 import pexpect
@@ -41,7 +41,7 @@ class SshComputerSetup(ipw.VBox):
 
     def __init__(self, **kwargs):
         computer_image = ipw.HTML(
-            '<img width="200px" src="./miscellaneous/images/computer.png">'
+            '<img width="200px" src="../miscellaneous/images/computer.png">'
         )
 
         # Username.
@@ -204,11 +204,16 @@ def _make_host_known(self, hostname, proxycmd=None):
         proxycmd = [] if proxycmd is None else proxycmd
         fname = path.expanduser("~/.ssh/known_hosts")
         print(f"Adding keys from {hostname} to {fname}")
-        hashes = check_output(
-            proxycmd + ["ssh-keyscan", "-p", str(self.port), "-H", hostname]
-        )
+        try:
+            hashes = check_output(
+                proxycmd + ["ssh-keyscan", "-p", str(self.port), "-H", hostname]
+            )
+        except CalledProcessError:
+            print(f"Couldn't add keys from {hostname} to {fname}. Aborting.")
+            return False
         with open(fname, "a") as fobj:
             fobj.write(hashes.decode("utf-8"))
+        return True
 
     def can_login(self, silent=False):
         """Check if it is possible to login into the remote host."""
@@ -369,13 +374,17 @@ def _configure_proxy(self, password, proxy_password):
 
             # Make proxy server known.
             if not self.is_host_known(self.proxy_hostname):
-                self._make_host_known(self.proxy_hostname)
+                success = self._make_host_known(self.proxy_hostname)
+                if not success:
+                    return False, ""
 
             # Finally trying to connect.
             if self._send_pubkey(self.proxy_hostname, proxy_username, proxy_password):
                 return True, proxy_username + "@" + self.proxy_hostname
 
-            print(f"Could not send public key to {self.proxy_hostname} (proxy server).")
+            print(
+                f"Could not send public key to {self.proxy_hostname} (proxy server), sorry :-("
+            )
             return False, ""
 
         # If proxy is NOT required.
@@ -447,14 +456,16 @@ def _on_setup_ssh(
 
         # make host known by ssh on the proxy server
         if not self.is_host_known():
-            self._make_host_known(
+            success = self._make_host_known(
                 self.hostname, ["ssh"] + [proxycmd] if proxycmd else []
             )
+            if not success:
+                return
 
         if mode == "password":
             # sending public key to the main host
             if not self._send_pubkey(self.hostname, self.username, password, proxycmd):
-                print("Could not send public key to {self.hostname}")
+                print("Could not send public key to {self.hostname}, sorry :-(")
                 return
 
         # modify the ssh config file if necessary
@@ -834,7 +845,6 @@ def __init__(self, description="Select computer:", path_to_root="../", **kwargs)
         """
 
         self.output = ipw.HTML()
-
         self._dropdown = ipw.Dropdown(
             options={},
             value=None,

notebooks/process.ipynb

@@ -90,7 +90,7 @@
    "source": [
     "follower = ProcessFollowerWidget(\n",
     "    process,\n",
-    "    followers=[ProgressBarWidget(), ProcessReportWidget(), ProcessCallStackWidget(), RunningCalcJobOutputWidget()], path_to_root='../', \n",
+    "    followers=[ProgressBarWidget(), ProcessReportWidget(), ProcessCallStackWidget(), RunningCalcJobOutputWidget()], path_to_root=\"../../\", \n",
     "    update_interval=2)\n",
     "display(follower)\n",
     "follower.follow(detach=True)"
@@ -113,7 +113,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.7"
+   "version": "3.8.10"
   }
  },
  "nbformat": 4,

notebooks/process_list.ipynb

@@ -38,7 +38,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "process_list = ProcessListWidget()\n",
+    "process_list = ProcessListWidget(path_to_root=\"../../\")\n",
     "\n",
     "past_days_widget = ipw.IntText(value=7, description='Past days:')\n",
     "dlink((past_days_widget, 'value'), (process_list, 'past_days'))\n",
@@ -125,7 +125,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.7"
+   "version": "3.8.10"
   }
  },
  "nbformat": 4,

notebooks/setup_code.ipynb

@@ -65,7 +65,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "aiidacode = AiiDACodeSetup(**args)\n",
+    "aiidacode = AiiDACodeSetup(path_to_root=\"../../\", **args)\n",
     "display(aiidacode)"
    ]
   }
@@ -86,7 +86,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.7"
+   "version": "3.8.10"
   }
  },
  "nbformat": 4,